Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T94788 Target Info
Target Name Branched-chain-amino-acid transaminase 2 (BCAT2)
Synonyms Placental protein 18; PP18; ECA39 protein; Branched-chain amino acid aminotransferase; BCAT2; BCAT(m); BCAT
Target Type Literature-reported Target
Gene Name BCAT2
Biochemical Class Transaminase
UniProt ID
BCAT2_HUMAN
Ligand General Information  Top
Ligand Name Pyridoxal phosphate Ligand Info
Canonical SMILES CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N
PubChem Compound ID 1051
Drug Binding Sites of Target  Top
PDB ID: 6PRX      oxidized Human Branched Chain Aminotransferase mutant C318A
Method X-ray diffraction Resolution 3.25 Å Mutation Yes [1]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GVFGKTFTDH
37
MLMVEWNDKG
47
WGQPRIQPFQ
57

NLTLHPASSS
67
LHYSLQLFEG
77
MKAFKGKDQQ
87
VRLFRPWLNM
97
DRMLRSAMRL
107

LPSFDKLELL
118
ECIRRLIEVD
128
KDWVPDAAGT
138
SLYVRPVLIG
148
NEPSLGVSQP
158

RRALLFVILC
168
PVGSVTPVSL
184
LADPAFIRAW
194
VGGVGNYKLG
204
GNYGPTVLVQ
214

QEALKRGCEQ
224
VLWLYGPDHQ
234
LTEVGTMNIF
244
VYWTHEDGVL
254
ELVTPPLNGV
264

ILPGVVRQSL
274
LDMAQTWGEF
284
RVVERTITMK
294
QLLRALEEGR
304
VREVFGSGTA
314

QVAPVHRILY
325
KDRNLHIPTM
335
ENGPELILRF
345
QKELKEIQYG
355
IRAHEWMFPV
365
Residue
Distance (Å)
GLY77
4.565
ASN96
4.507
ARG99
2.947
ARG192
3.290
LYS202
1.278
TYR207
2.098
GLU237
3.133
GLY239
3.697
THR240
3.115
MET241
3.316
Residue
Distance (Å)
ASN242
3.643
LEU266
3.416
PRO267
4.928
GLY268
3.190
VAL269
2.768
VAL270
3.376
ARG271
4.144
SER311
3.994
GLY312
3.295
THR313
2.371
PDB ID: 5CR5      X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.61 Å Mutation No [2]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
LVFGKTFTDH
37
MLMVEWNDKG
47
WGQPRIQPFQ
57

NLTLHPASSS
67
LHYSLQLFEG
77
MKAFKGKDQQ
87
VRLFRPWLNM
97
DRMLRSAMRL
107

CLPSFDKLEL
117
LECIRRLIEV
127
DKDWVPDAAG
137
TSLYVRPVLI
147
GNEPSLGVSQ
157

PTRALLFVIL
167
CPVGAYFPGG
177
SVTPVSLLAD
187
PAFIRAWVGG
197
VGNYKLGGNY
207

GPTVLVQQEA
217
LKRGCEQVLW
227
LYGPDHQLTE
237
VGTMNIFVYW
247
THEDGVLELV
257

TPPLNGVILP
267
GVVRQSLLDM
277
AQTWGEFRVV
287
ERTITMKQLL
297
RALEEGRVRE
307

VFGSGTACQV
317
CPVHRILYKD
327
RNLHIPTMEN
337
GPELILRFQK
347
ELKEIQYGIR
357

AHEWMFPV
Residue
Distance (Å)
PHE75
4.915
GLY77
4.702
ASN96
4.803
ARG99
2.810
ARG192
3.718
LYS202
1.300
TYR207
2.303
GLU237
2.461
GLY239
4.603
THR240
3.325
MET241
3.923
Residue
Distance (Å)
ASN242
3.511
LEU266
3.603
PRO267
4.824
GLY268
3.305
VAL269
2.875
VAL270
2.940
ARG271
4.134
SER311
4.623
GLY312
3.556
THR313
2.621
PDB ID: 5BWX      X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.70 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPLVFGKTFT
35
DHMLMVEWND
45
KGWGQPRIQP
55

FQNLTLHPAS
65
SSLHYSLQLF
75
EGMKAFKGKD
85
QQVRLFRPWL
95
NMDRMLRSAM
105

RLCLPSFDKL
115
ELLECIRRLI
125
EVDKDWVPDA
135
AGTSLYVRPV
145
LIGNEPSLGV
155

SQPTRALLFV
165
ILCPVGVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202
LGGNYGPTVL
212

VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252
VLELVTPPLN
262

GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302
GRVREVFGSG
312

TACQVCPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352
QYGIRAHEWM
362

FPV
Residue
Distance (Å)
GLY77
4.689
ASN96
4.812
ARG99
2.782
ARG192
3.482
LYS202
1.285
TYR207
2.286
GLU237
2.412
GLY239
4.842
THR240
3.169
MET241
3.835
Residue
Distance (Å)
ASN242
3.593
LEU266
3.573
PRO267
4.755
GLY268
3.394
VAL269
2.783
VAL270
2.995
ARG271
4.210
SER311
4.139
GLY312
3.540
THR313
2.548
PDB ID: 5I5Y      X-RAY CRYSTAL STRUCTURE AT 1.81A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH AN ARYL ACETATE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.81 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPTRAL
162
LFVILCPVGA
172
YFPGGSVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202

LGGNYGPTVL
212
VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252

VLELVTPPLN
262
GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302

GRVREVFGSG
312
TACQVCPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352

QYGIRAHEWM
362
FPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.700
ASN96
4.702
ARG99
2.826
ARG192
3.532
LYS202
1.307
TYR207
2.249
GLU237
2.486
GLY239
4.514
THR240
3.126
MET241
3.889
Residue
Distance (Å)
ASN242
3.643
LEU266
3.648
PRO267
4.756
GLY268
3.393
VAL269
2.726
VAL270
2.968
ARG271
4.210
SER311
4.377
GLY312
3.510
THR313
2.695
PDB ID: 5BWW      X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.82 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPLVFGKTFT
35
DHMLMVEWND
45
KGWGQPRIQP
55

FQNLTLHPAS
65
SSLHYSLQLF
75
EGMKAFKGKD
85
QQVRLFRPWL
95
NMDRMLRSAM
105

RLCLPSFDKL
115
ELLECIRRLI
125
EVDKDWVPDA
135
AGTSLYVRPV
145
LIGNEPSLGV
155

SQPTRALLFV
165
ILCPVGVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202
LGGNYGPTVL
212

VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252
VLELVTPPLN
262

GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302
GRVREVFGSG
312

TACQVCPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352
QYGIRAHEWM
362

FPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.934
GLY77
4.769
ASN96
4.797
ARG99
2.797
ARG192
3.500
LYS202
1.292
TYR207
2.277
GLU237
2.386
GLY239
4.977
THR240
3.039
MET241
3.820
Residue
Distance (Å)
ASN242
3.578
LEU266
3.675
PRO267
4.736
GLY268
3.481
VAL269
2.844
VAL270
2.959
ARG271
4.236
SER311
4.063
GLY312
3.568
THR313
2.589
PDB ID: 5BWV      X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.86 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
PLVFGKTFTD
36
HMLMVEWNDK
46
GWGQPRIQPF
56

QNLTLHPASS
66
SLHYSLQLFE
76
GMKAFKGKDQ
86
QVRLFRPWLN
96
MDRMLRSAMR
106

LCLPSFDKLE
116
LLECIRRLIE
126
VDKDWVPDAA
136
GTSLYVRPVL
146
IGNEPSLGVS
156

QPTRALLFVI
166
LCPVGAYSVT
180
PVSLLADPAF
190
IRAWVGGVGN
200
YKLGGNYGPT
210

VLVQQEALKR
220
GCEQVLWLYG
230
PDHQLTEVGT
240
MNIFVYWTHE
250
DGVLELVTPP
260

LNGVILPGVV
270
RQSLLDMAQT
280
WGEFRVVERT
290
ITMKQLLRAL
300
EEGRVREVFG
310

SGTACQVCPV
320
HRILYKDRNL
330
HIPTMENGPE
340
LILRFQKELK
350
EIQYGIRAHE
360

WMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.873
GLY77
4.559
ASN96
4.922
ARG99
2.725
ARG192
3.704
LYS202
1.292
TYR207
2.249
GLU237
2.425
GLY239
4.329
THR240
3.476
MET241
3.854
Residue
Distance (Å)
ASN242
3.540
LEU266
3.634
PRO267
4.711
GLY268
3.439
VAL269
2.863
VAL270
2.961
ARG271
4.182
SER311
4.576
GLY312
3.554
THR313
2.525
PDB ID: 5I5V      X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 1.94 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPLVFGKTFT
35
DHMLMVEWND
45
KGWGQPRIQP
55

FQNLTLHPAS
65
SSLHYSLQLF
75
EGMKAFKGKD
85
QQVRLFRPWL
95
NMDRMLRSAM
105

RLCLPSFDKL
115
ELLECIRRLI
125
EVDKDWVPDA
135
AGTSLYVRPV
145
LIGNEPSLGV
155

SQPTRALLFV
165
ILCPVGAYFP
175
GGSVTPVSLL
185
ADPAFIRAWV
195
GGVGNYKLGG
205

NYGPTVLVQQ
215
EALKRGCEQV
225
LWLYGPDHQL
235
TEVGTMNIFV
245
YWTHEDGVLE
255

LVTPPLNGVI
265
LPGVVRQSLL
275
DMAQTWGEFR
285
VVERTITMKQ
295
LLRALEEGRV
305

REVFGSGTAC
315
QVCPVHRILY
325
KDRNLHIPTM
335
ENGPELILRF
345
QKELKEIQYG
355

IRAHEWMFPV
365
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.790
ASN96
4.615
ARG99
2.793
ARG192
3.556
LYS202
1.395
TYR207
2.243
GLU237
2.343
GLY239
4.588
THR240
3.028
MET241
3.779
Residue
Distance (Å)
ASN242
3.605
LEU266
3.712
PRO267
4.906
GLY268
3.473
VAL269
2.992
VAL270
3.044
ARG271
4.315
SER311
4.165
GLY312
3.663
THR313
2.643
PDB ID: 5HNE      X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
Method X-ray diffraction Resolution 2.04 Å Mutation No [5]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
PLVFGKTFTD
36
HMLMVEWNDK
46
GWGQPRIQPF
56

QNLTLHPASS
66
SLHYSLQLFE
76
GMKAFKGKDQ
86
QVRLFRPWLN
96
MDRMLRSAMR
106

LCLPSFDKLE
116
LLECIRRLIE
126
VDKDWVPDAA
136
GTSLYVRPVL
146
IGNEPSLGVS
156

QPTRALLFVI
166
LCPVGAYFPG
176
GSVTPVSLLA
186
DPAFIRAWVG
196
GVGNYKLGGN
206

YGPTVLVQQE
216
ALKRGCEQVL
226
WLYGPDHQLT
236
EVGTMNIFVY
246
WTHEDGVLEL
256

VTPPLNGVIL
266
PGVVRQSLLD
276
MAQTWGEFRV
286
VERTITMKQL
296
LRALEEGRVR
306

EVFGSGTACQ
316
VCPVHRILYK
326
DRNLHIPTME
336
NGPELILRFQ
346
KELKEIQYGI
356

RAHEWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.579
ASN96
4.923
ARG99
2.814
ARG192
3.743
LYS202
1.297
TYR207
2.260
GLU237
2.295
GLY239
4.227
THR240
3.153
MET241
3.761
Residue
Distance (Å)
ASN242
3.490
LEU266
3.648
PRO267
4.797
GLY268
3.336
VAL269
2.844
VAL270
3.043
ARG271
4.156
SER311
4.504
GLY312
3.540
THR313
2.406
PDB ID: 5I5S      X-RAY CRYSTAL STRUCTURE AT 2.06A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BENZISOXAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.06 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GEPLVFGKTF
34
TDHMLMVEWN
44
DKGWGQPRIQ
54

PFQNLTLHPA
64
SSSLHYSLQL
74
FEGMKAFKGK
84
DQQVRLFRPW
94
LNMDRMLRSA
104

MRLCLPSFDK
114
LELLECIRRL
124
IEVDKDWVPD
134
AAGTSLYVRP
144
VLIGNEPSLG
154

VSQPTRALLF
164
VILCPVGAYF
174
PGGSVTPVSL
184
LADPAFIRAW
194
VGGVGNYKLG
204

GNYGPTVLVQ
214
QEALKRGCEQ
224
VLWLYGPDHQ
234
LTEVGTMNIF
244
VYWTHEDGVL
254

ELVTPPLNGV
264
ILPGVVRQSL
274
LDMAQTWGEF
284
RVVERTITMK
294
QLLRALEEGR
304

VREVFGSGTA
314
CQVCPVHRIL
324
YKDRNLHIPT
334
MENGPELILR
344
FQKELKEIQY
354

GIRAHEWMFP
364
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313 or .A:314; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.666
ASN96
4.654
ARG99
2.726
ARG192
3.492
LYS202
1.396
TYR207
2.285
GLU237
2.443
GLY239
4.562
THR240
2.962
MET241
3.687
ASN242
3.563
Residue
Distance (Å)
LEU266
3.540
PRO267
4.812
GLY268
3.311
VAL269
2.848
VAL270
3.002
ARG271
4.274
SER311
4.139
GLY312
3.489
THR313
2.711
ALA314
4.994
PDB ID: 5I60      X-RAY CRYSTAL STRUCTURE AT 2.12A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.12 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
PLVFGKTFTD
36
HMLMVEWNDK
46
GWGQPRIQPF
56

QNLTLHPASS
66
SLHYSLQLFE
76
GMKAFKGKDQ
86
QVRLFRPWLN
96
MDRMLRSAMR
106

LCLPSFDKLE
116
LLECIRRLIE
126
VDKDWVPDAA
136
GTSLYVRPVL
146
IGNEPSLGVS
156

QPTRALLFVI
166
LCPVGAYFPG
176
GSVTPVSLLA
186
DPAFIRAWVG
196
GVGNYKLGGN
206

YGPTVLVQQE
216
ALKRGCEQVL
226
WLYGPDHQLT
236
EVGTMNIFVY
246
WTHEDGVLEL
256

VTPPLNGVIL
266
PGVVRQSLLD
276
MAQTWGEFRV
286
VERTITMKQL
296
LRALEEGRVR
306

EVFGSGTACQ
316
VCPVHRILYK
326
DRNLHIPTME
336
NGPELILRFQ
346
KELKEIQYGI
356

RAHEWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.716
ASN96
4.773
ARG99
2.807
ARG192
3.515
LYS202
1.308
TYR207
2.182
GLU237
2.400
GLY239
4.562
THR240
2.996
MET241
3.729
Residue
Distance (Å)
ASN242
3.679
LEU266
3.653
PRO267
4.853
GLY268
3.286
VAL269
2.746
VAL270
2.974
ARG271
4.178
SER311
4.183
GLY312
3.638
THR313
2.548
PDB ID: 5BWU      X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.17 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GEPLVFGKTF
34
TDHMLMVEWN
44
DKGWGQPRIQ
54

PFQNLTLHPA
64
SSSLHYSLQL
74
FEGMKAFKGK
84
DQQVRLFRPW
94
LNMDRMLRSA
104

MRLCLPSFDK
114
LELLECIRRL
124
IEVDKDWVPD
134
AAGTSLYVRP
144
VLIGNEPSLG
154

VSQPTRALLF
164
VILCPVGVTP
181
VSLLADPAFI
191
RAWVGGVGNY
201
KLGGNYGPTV
211

LVQQEALKRG
221
CEQVLWLYGP
231
DHQLTEVGTM
241
NIFVYWTHED
251
GVLELVTPPL
261

NGVILPGVVR
271
QSLLDMAQTW
281
GEFRVVERTI
291
TMKQLLRALE
301
EGRVREVFGS
311

GTACQVCPVH
321
RILYKDRNLH
331
IPTMENGPEL
341
ILRFQKELKE
351
IQYGIRAHEW
361

MFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.931
GLY77
4.552
ASN96
4.897
ARG99
2.713
ARG192
3.647
LYS202
1.310
TYR207
2.292
GLU237
2.445
GLY239
4.482
THR240
3.243
MET241
3.737
Residue
Distance (Å)
ASN242
3.719
LEU266
3.712
PRO267
4.728
GLY268
3.374
VAL269
2.785
VAL270
3.050
ARG271
4.223
SER311
4.186
GLY312
3.505
THR313
2.578
PDB ID: 5BWR      X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Method X-ray diffraction Resolution 2.20 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPTRAL
162
LFVILCPVGV
179
TPVSLLADPA
189
FIRAWVGGVG
199
NYKLGGNYGP
209

TVLVQQEALK
219
RGCEQVLWLY
229
GPDHQLTEVG
239
TMNIFVYWTH
249
EDGVLELVTP
259

PLNGVILPGV
269
VRQSLLDMAQ
279
TWGEFRVVER
289
TITMKQLLRA
299
LEEGRVREVF
309

GSGTACQVCP
319
VHRILYKDRN
329
LHIPTMENGP
339
ELILRFQKEL
349
KEIQYGIRAH
359

EWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.597
ASN96
4.775
ARG99
2.800
ARG192
3.593
LYS202
1.295
TYR207
2.312
GLU237
2.661
GLY239
4.369
THR240
2.992
MET241
3.675
Residue
Distance (Å)
ASN242
3.622
LEU266
3.638
PRO267
4.808
GLY268
3.521
VAL269
2.846
VAL270
2.961
ARG271
4.223
SER311
4.128
GLY312
3.542
THR313
2.507
PDB ID: 5BWT      X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Method X-ray diffraction Resolution 2.20 Å Mutation No [3]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPTRAL
162
LFVILCPVGA
172
YFPVTPVSLL
185
ADPAFIRAWV
195
GGVGNYKLGG
205

NYGPTVLVQQ
215
EALKRGCEQV
225
LWLYGPDHQL
235
TEVGTMNIFV
245
YWTHEDGVLE
255

LVTPPLNGVI
265
LPGVVRQSLL
275
DMAQTWGEFR
285
VVERTITMKQ
295
LLRALEEGRV
305

REVFGSGTAC
315
QVCPVHRILY
325
KDRNLHIPTM
335
ENGPELILRF
345
QKELKEIQYG
355

IRAHEWMFPV
365
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.616
ASN96
4.699
ARG99
2.715
ARG192
3.598
LYS202
1.308
TYR207
2.353
GLU237
2.386
GLY239
4.221
THR240
2.964
MET241
3.637
Residue
Distance (Å)
ASN242
3.560
LEU266
3.722
PRO267
4.768
GLY268
3.501
VAL269
2.940
VAL270
2.981
ARG271
4.308
SER311
4.049
GLY312
3.634
THR313
2.591
PDB ID: 5I5T      X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.31 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPPLVFGKTF
34
TDHMLMVEWN
44
DKGWGQPRIQ
54

PFQNLTLHPA
64
SSSLHYSLQL
74
FEGMKAFKGK
84
DQQVRLFRPW
94
LNMDRMLRSA
104

MRLCLPSFDK
114
LELLECIRRL
124
IEVDKDWVPD
134
AAGTSLYVRP
144
VLIGNEPSLG
154

VSQPTRALLF
164
VILCPVGAYF
174
PGGSVTPVSL
184
LADPAFIRAW
194
VGGVGNYKLG
204

GNYGPTVLVQ
214
QEALKRGCEQ
224
VLWLYGPDHQ
234
LTEVGTMNIF
244
VYWTHEDGVL
254

ELVTPPLNGV
264
ILPGVVRQSL
274
LDMAQTWGEF
284
RVVERTITMK
294
QLLRALEEGR
304

VREVFGSGTA
314
CQVCPVHRIL
324
YKDRNLHIPT
334
MENGPELILR
344
FQKELKEIQY
354

GIRAHEWMFP
364
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.989
GLY77
4.681
ASN96
4.605
ARG99
2.812
ARG192
3.467
LYS202
1.383
TYR207
2.206
GLU237
2.408
GLY239
4.547
THR240
2.998
MET241
3.808
Residue
Distance (Å)
ASN242
3.538
LEU266
3.680
PRO267
4.815
GLY268
3.385
VAL269
2.877
VAL270
3.014
ARG271
4.211
SER311
4.105
GLY312
3.538
THR313
2.736
PDB ID: 5I5U      X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.40 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPTRAL
162
LFVILCPVGA
172
YFPGGSVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202

LGGNYGPTVL
212
VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252

VLELVTPPLN
262
GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302

GRVREVFGSG
312
TACQVCPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352

QYGIRAHEWM
362
FPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313 or .A:314; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.510
ASN96
4.709
ARG99
2.740
ARG192
3.531
LYS202
1.397
TYR207
2.181
GLU237
2.476
GLY239
4.533
THR240
3.068
MET241
3.802
ASN242
3.538
Residue
Distance (Å)
LEU266
3.693
PRO267
4.883
GLY268
3.370
VAL269
2.839
VAL270
3.038
ARG271
4.227
SER311
4.106
GLY312
3.418
THR313
2.488
ALA314
4.977
PDB ID: 5I5W      X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Method X-ray diffraction Resolution 2.40 Å Mutation No [4]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPPLVFGKTF
34
TDHMLMVEWN
44
DKGWGQPRIQ
54

PFQNLTLHPA
64
SSSLHYSLQL
74
FEGMKAFKGK
84
DQQVRLFRPW
94
LNMDRMLRSA
104

MRLCLPSFDK
114
LELLECIRRL
124
IEVDKDWVPD
134
AAGTSLYVRP
144
VLIGNEPSLG
154

VSQPTRALLF
164
VILCPVGVTP
181
VSLLADPAFI
191
RAWVGGVGNY
201
KLGGNYGPTV
211

LVQQEALKRG
221
CEQVLWLYGP
231
DHQLTEVGTM
241
NIFVYWTHED
251
GVLELVTPPL
261

NGVILPGVVR
271
QSLLDMAQTW
281
GEFRVVERTI
291
TMKQLLRALE
301
EGRVREVFGS
311

GTACQVCPVH
321
RILYKDRNLH
331
IPTMENGPEL
341
ILRFQKELKE
351
IQYGIRAHEW
361

MFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313 or .A:314; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.863
GLY77
4.651
ASN96
4.596
ARG99
2.727
ARG192
3.553
LYS202
1.401
TYR207
2.162
GLU237
2.401
GLY239
4.555
THR240
3.365
MET241
3.960
Residue
Distance (Å)
ASN242
3.593
LEU266
3.508
PRO267
4.888
GLY268
3.375
VAL269
2.859
VAL270
2.997
ARG271
4.157
SER311
4.293
GLY312
3.472
THR313
2.586
ALA314
4.942
PDB ID: 5MPR      Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2
Method X-ray diffraction Resolution 1.60 Å Mutation Yes [6]
PDB Sequence
GASSSFKAAD
9
LQLEMTQKPH
19
KKPGPPLVFG
31
KTFTDHMLMV
41
EWNDKGWGQP
51

RIQPFQNLTL
61
HPASSSLHYS
71
LQLFEGMKAF
81
KGKDQQVRLF
91
RPWLNMDRML
101

RSAMRLCLPS
111
FDKLELLECI
121
RRLIEVDKDW
131
VPDAAGTSLY
141
VRPVLIGNEP
151

SLGVSQPRRA
161
LLFVILCPVG
171
AYFPGGSVTP
181
VSLLADPAFI
191
RAWVGGVGNY
201

KLGGNYGPTV
211
LVQQEALKRG
221
CEQVLWLYGP
231
DHQLTEVGTM
241
NIFVYWTHED
251

GVLELVTPPL
261
NGVILPGVVR
271
QSLLDMAQTW
281
GEFRVVERTI
291
TMKQLLRALE
301

EGRVREVFGS
311
GTACQVCPVH
321
RILYKDRNLH
331
IPTMENGPEL
341
ILRFQKELKE
351

IQYGIRAHEW
361
MFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.804
ASN96
4.825
ARG99
2.859
ARG192
3.514
LYS202
1.287
TYR207
2.312
GLU237
2.399
GLY239
4.536
THR240
3.173
MET241
3.766
Residue
Distance (Å)
ASN242
3.543
LEU266
3.661
PRO267
4.817
GLY268
3.412
VAL269
2.785
VAL270
3.017
ARG271
4.266
SER311
4.227
GLY312
3.490
THR313
2.613
PDB ID: 2A1H      X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin
Method X-ray diffraction Resolution 1.80 Å Mutation No [7]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPRRAL
162
LFVILCPVGA
172
YFPGGSVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202

LGGNYGPTVL
212
VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252

VLELVTPPLN
262
GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302

GRVREVFGSG
312
TACQVCPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352

QYGIRAHEWM
362
FPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.529
ASN96
4.677
ARG99
2.872
ARG192
3.534
LYS202
1.381
TYR207
2.697
GLU237
3.034
GLY239
4.778
THR240
3.377
MET241
3.818
Residue
Distance (Å)
ASN242
3.437
LEU266
3.723
PRO267
4.906
GLY268
3.390
VAL269
2.870
VAL270
3.016
ARG271
4.250
SER311
4.037
GLY312
3.678
THR313
2.720
PDB ID: 2HG8      Crystal Structure of Cys315Ala mutant of human mitochondrial branched chain aminotransferase complexed with its substrate mimic, N-methyl leucine.
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [8]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPRRAL
162
LFVILCPVGA
172
VTPVSLLADP
188
AFIRAWVGGV
198
GNYKLGGNYG
208

PTVLVQQEAL
218
KRGCEQVLWL
228
YGPDHQLTEV
238
GTMNIFVYWT
248
HEDGVLELVT
258

PPLNGVILPG
268
VVRQSLLDMA
278
QTWGEFRVVE
288
RTITMKQLLR
298
ALEEGRVREV
308

FGSGTAAQVC
318
PVHRILYKDR
328
NLHIPTMENG
338
PELILRFQKE
348
LKEIQYGIRA
358

HEWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313 or .A:314; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.545
ASN96
4.750
ARG99
2.878
ARG192
3.576
LYS202
1.383
TYR207
2.772
GLU237
3.476
GLY239
4.698
THR240
3.463
MET241
3.830
ASN242
3.413
Residue
Distance (Å)
LEU266
3.717
PRO267
4.871
GLY268
3.321
VAL269
2.914
VAL270
2.979
ARG271
4.244
SER311
4.038
GLY312
3.806
THR313
2.747
ALA314
4.983
PDB ID: 2HGX      Crystal structure of Cys315Ala mutant of human mitochondrial branched chain aminotransferase
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [8]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPRRAL
162
LFVILCPVGA
172
VTPVSLLADP
188
AFIRAWVGGV
198
GNYKLGGNYG
208

PTVLVQQEAL
218
KRGCEQVLWL
228
YGPDHQLTEV
238
GTMNIFVYWT
248
HEDGVLELVT
258

PPLNGVILPG
268
VVRQSLLDMA
278
QTWGEFRVVE
288
RTITMKQLLR
298
ALEEGRVREV
308

FGSGTAAQVC
318
PVHRILYKDR
328
NLHIPTMENG
338
PELILRFQKE
348
LKEIQYGIRA
358

HEWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.441
ASN96
4.629
ARG99
2.836
ARG192
3.588
LYS202
1.382
TYR207
2.710
GLU237
3.268
GLY239
4.416
THR240
3.218
MET241
3.840
Residue
Distance (Å)
ASN242
3.414
LEU266
3.718
PRO267
4.871
GLY268
3.398
VAL269
2.880
VAL270
2.968
ARG271
4.222
SER311
4.086
GLY312
3.722
THR313
2.768
PDB ID: 2HHF      X-ray crystal structure of oxidized human mitochondrial branched chain aminotransferase (hBCATm)
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [8]
PDB Sequence
> Chain A
ASSSFKAADL
10
QLEMTTFTDH
37
MLMVEWNDKG
47
WGQPRIQPFQ
57
NLTLHPASSS
67

LHYSLQLFEG
77
MKAFKGKDQQ
87
VRLFRPWLNM
97
DRMLRSAMRL
107
LPSFDKLELL
118

ECIRRLIEVD
128
KDWVPDAAGT
138
SLVRPVLIGN
149
EPSLGVSQPR
159
RALLFVILCP
169

VGAYFPGGSV
179
TPVSLLADPA
189
FIRAWVGGVG
199
NYKLGGNYGP
209
TVLVQQEALK
219

RGCEQVLWLY
229
GPDHQLTEVG
239
TMNIFVYWTH
249
EDGVLELVTP
259
PLNGVILPGV
269

VRQSLLDMAQ
279
TWGEFRVVER
289
TITMKQLLRA
299
LEEGRVREVF
309
GSGTACQVCP
319

VHRILYKDRN
329
LHIPTMENGP
339
ELILRFQKEL
349
KEIQYGIRAH
359
EWMFPV
> Chain B
ASSSFKAADL
510
QLEMTQKPHK
520
KPGPGEPLVF
530
GKTFTDHMLM
540
VEWNDKGWGQ
550

PRIQPFQNLT
560
LHPASSSLHY
570
SLQLFEGMKA
580
FKGKDQQVRL
590
FRPWLNMDRM
600

LRSAMRLLPS
611
FDKLELLECI
621
RRLIEVDKDW
631
VPDAAGTSLY
641
VRPVLIGNEP
651

SLGVSQPRRA
661
LLFVILCPVG
671
AYFPGGSVTP
681
VSLLADPAFI
691
RAWVGGVGNY
701

KLGGNYGPTV
711
LVQQEALKRG
721
CEQVLWLYGP
731
DHQLTEVGTM
741
NIFVYWTHED
751

GVLELVTPPL
761
NGVILPGVVR
771
QSLLDMAQTW
781
GEFRVVERTI
791
TMKQLLRALE
801

EGRVREVFGS
811
GTACQVCPVH
821
RILYKDRNLH
831
IPTMENGPEL
841
ILRFQKELKE
851

IQYGIRAHEW
861
MFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313 or .B:577 or .B:596 or .B:599 or .B:692 or .B:702 or .B:707 or .B:737 or .B:739 or .B:740 or .B:741 or .B:742 or .B:766 or .B:767 or .B:768 or .B:769 or .B:770 or .B:771 or .B:811 or .B:812 or .B:813; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue [Chain]
Distance (Å)
GLY77[A]
4.537
ASN96[A]
4.759
ARG99[A]
2.813
ARG192[A]
3.530
LYS202[A]
1.383
TYR207[A]
2.762
GLU237[A]
3.213
GLY239[A]
4.348
THR240[A]
3.229
MET241[A]
3.721
ASN242[A]
3.426
LEU266[A]
3.702
PRO267[A]
4.911
GLY268[A]
3.380
VAL269[A]
2.896
VAL270[A]
3.068
ARG271[A]
4.238
SER311[A]
4.059
GLY312[A]
3.692
THR313[A]
2.722
Residue [Chain]
Distance (Å)
GLY577[B]
4.455
ASN596[B]
4.845
ARG599[B]
2.794
ARG692[B]
3.520
LYS702[B]
1.382
TYR707[B]
2.740
GLU737[B]
2.954
GLY739[B]
4.392
THR740[B]
3.218
MET741[B]
3.758
ASN742[B]
3.430
LEU766[B]
3.717
PRO767[B]
4.943
GLY768[B]
3.407
VAL769[B]
2.920
VAL770[B]
3.011
ARG771[B]
4.246
SER811[B]
3.915
GLY812[B]
3.449
THR813[B]
2.858
PDB ID: 1EKF      CRYSTALLOGRAPHIC STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 1.95 ANGSTROMS (ORTHORHOMBIC FORM)
Method X-ray diffraction Resolution 1.95 Å Mutation No [9]
PDB Sequence
ASSSFKAADL
10
QLEMTQKPHK
20
KPGPGEPLVF
30
GKTFTDHMLM
40
VEWNDKGWGQ
50

PRIQPFQNLT
60
LHPASSSLHY
70
SLQLFEGMKA
80
FKGKDQQVRL
90
FRPWLNMDRM
100

LRSAMRLCLP
110
SFDKLELLEC
120
IRRLIEVDKD
130
WVPDAAGTSL
140
YVRPVLIGNE
150

PSLGVSQPRR
160
ALLFVILCPV
170
GAYFPGGSVT
180
PVSLLADPAF
190
IRAWVGGVGN
200

YKLGGNYGPT
210
VLVQQEALKR
220
GCEQVLWLYG
230
PDHQLTEVGT
240
MNIFVYWTHE
250

DGVLELVTPP
260
LNGVILPGVV
270
RQSLLDMAQT
280
WGEFRVVERT
290
ITMKQLLRAL
300

EEGRVREVFG
310
SGTACQVCPV
320
HRILYKDRNL
330
HIPTMENGPE
340
LILRFQKELK
350

EIQYGIRAHE
360
WMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.524
ASN96
4.672
ARG99
2.872
ARG192
3.207
LYS202
1.385
TYR207
2.525
GLU237
2.482
GLY239
4.488
THR240
3.319
MET241
3.786
Residue
Distance (Å)
ASN242
3.555
LEU266
3.650
PRO267
4.829
GLY268
3.418
VAL269
2.912
VAL270
2.976
ARG271
4.252
SER311
4.119
GLY312
3.713
THR313
2.646
PDB ID: 2HGW      Crystal structure of Cys318Ala mutant of human mitochondrial branched chain aminotransferase
Method X-ray diffraction Resolution 1.98 Å Mutation Yes [8]
PDB Sequence
ASSSFKAADL
10
QLEMTQKPHK
20
KPGPGEPLVF
30
GKTFTDHMLM
40
VEWNDKGWGQ
50

PRIQPFQNLT
60
LHPASSSLHY
70
SLQLFEGMKA
80
FKGKDQQVRL
90
FRPWLNMDRM
100

LRSAMRLCLP
110
SFDKLELLEC
120
IRRLIEVDKD
130
WVPDAAGTSL
140
YVRPVLIGNE
150

PSLGVSQPRR
160
ALLFVILCPV
170
GVTPVSLLAD
187
PAFIRAWVGG
197
VGNYKLGGNY
207

GPTVLVQQEA
217
LKRGCEQVLW
227
LYGPDHQLTE
237
VGTMNIFVYW
247
THEDGVLELV
257

TPPLNGVILP
267
GVVRQSLLDM
277
AQTWGEFRVV
287
ERTITMKQLL
297
RALEEGRVRE
307

VFGSGTACQV
317
APVHRILYKD
327
RNLHIPTMEN
337
GPELILRFQK
347
ELKEIQYGIR
357

AHEWMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.402
ASN96
4.803
ARG99
2.820
ARG192
3.485
LYS202
1.380
TYR207
2.795
GLU237
2.957
GLY239
4.617
THR240
3.259
MET241
3.883
Residue
Distance (Å)
ASN242
3.520
LEU266
3.702
PRO267
4.857
GLY268
3.435
VAL269
2.857
VAL270
2.997
ARG271
4.234
SER311
4.093
GLY312
3.666
THR313
2.776
PDB ID: 1EKV      HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME INACTIVATED BY TRIS BOUND TO THE PYRIDOXAL-5'-PHOSPHATE ON ONE END AND ACTIVE SITE LYS202 NZ ON THE OTHER.
Method X-ray diffraction Resolution 2.25 Å Mutation No [9]
PDB Sequence
ASSSFKAADL
10
QLEMTQKPHK
20
KPGPGEPLVF
30
GKTFTDHMLM
40
VEWNDKGWGQ
50

PRIQPFQNLT
60
LHPASSSLHY
70
SLQLFEGMKA
80
FKGKDQQVRL
90
FRPWLNMDRM
100

LRSAMRLCLP
110
SFDKLELLEC
120
IRRLIEVDKD
130
WVPDAAGTSL
140
YVRPVLIGNE
150

PSLGVSQPRR
160
ALLFVILCPV
170
GAYFPGGSVT
180
PVSLLADPAF
190
IRAWVGGVGN
200

YKLGGNYGPT
210
VLVQQEALKR
220
GCEQVLWLYG
230
PDHQLTEVGT
240
MNIFVYWTHE
250

DGVLELVTPP
260
LNGVILPGVV
270
RQSLLDMAQT
280
WGEFRVVERT
290
ITMKQLLRAL
300

EEGRVREVFG
310
SGTACQVCPV
320
HRILYKDRNL
330
HIPTMENGPE
340
LILRFQKELK
350

EIQYGIRAHE
360
WMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.620
ASN96
4.991
ARG99
3.255
ARG192
3.533
LYS202
3.901
TYR207
2.700
GLU237
2.392
GLY239
3.550
THR240
3.171
MET241
3.718
Residue
Distance (Å)
ASN242
3.384
LEU266
3.526
PRO267
4.900
GLY268
3.369
VAL269
2.599
VAL270
3.163
ARG271
4.268
SER311
3.977
GLY312
3.345
THR313
2.499
PDB ID: 2HDK      Crystal Structure of Cys315Ala-Cys318Ala Mutant of Human Mitochondrial Branched Chain Aminotransferase
Method X-ray diffraction Resolution 2.40 Å Mutation Yes [8]
PDB Sequence
SSFKAADLQL
12
EMTQKPHKKP
22
GPGEPLVFGK
32
TFTDHMLMVE
42
WNDKGWGQPR
52

IQPFQNLTLH
62
PASSSLHYSL
72
QLFEGMKAFK
82
GKDQQVRLFR
92
PWLNMDRMLR
102

SAMRLCLPSF
112
DKLELLECIR
122
RLIEVDKDWV
132
PDAAGTSLYV
142
RPVLIGNEPS
152

LGVSQPRRAL
162
LFVILCPVGA
172
YFPGGSVTPV
182
SLLADPAFIR
192
AWVGGVGNYK
202

LGGNYGPTVL
212
VQQEALKRGC
222
EQVLWLYGPD
232
HQLTEVGTMN
242
IFVYWTHEDG
252

VLELVTPPLN
262
GVILPGVVRQ
272
SLLDMAQTWG
282
EFRVVERTIT
292
MKQLLRALEE
302

GRVREVFGSG
312
TAAQVAPVHR
322
ILYKDRNLHI
332
PTMENGPELI
342
LRFQKELKEI
352

QYGIRAHEWM
362
FPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY77
4.581
ASN96
4.809
ARG99
2.935
ARG192
4.053
LYS202
1.374
TYR207
2.613
GLU237
2.630
THR240
3.170
MET241
3.768
ASN242
3.580
Residue
Distance (Å)
LEU266
3.613
PRO267
4.879
GLY268
3.375
VAL269
2.809
VAL270
3.039
ARG271
4.332
SER311
4.175
GLY312
3.562
THR313
2.591
PDB ID: 1EKP      CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 2.5 ANGSTROMS (MONOCLINIC FORM).
Method X-ray diffraction Resolution 2.50 Å Mutation No [9]
PDB Sequence
ASSSFKAADL
10
QLEMTQKPHK
20
KPGPGEPLVF
30
GKTFTDHMLM
40
VEWNDKGWGQ
50

PRIQPFQNLT
60
LHPASSSLHY
70
SLQLFEGMKA
80
FKGKDQQVRL
90
FRPWLNMDRM
100

LRSAMRLCLP
110
SFDKLELLEC
120
IRRLIEVDKD
130
WVPDAAGTSL
140
YVRPVLIGNE
150

PSLGVSQPRR
160
ALLFVILCPV
170
GAYFPGGSVT
180
PVSLLADPAF
190
IRAWVGGVGN
200

YKLGGNYGPT
210
VLVQQEALKR
220
GCEQVLWLYG
230
PDHQLTEVGT
240
MNIFVYWTHE
250

DGVLELVTPP
260
LNGVILPGVV
270
RQSLLDMAQT
280
WGEFRVVERT
290
ITMKQLLRAL
300

EEGRVREVFG
310
SGTACQVCPV
320
HRILYKDRNL
330
HIPTMENGPE
340
LILRFQKELK
350

EIQYGIRAHE
360
WMFPV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:75 or .A:77 or .A:96 or .A:99 or .A:192 or .A:202 or .A:207 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE75
4.904
GLY77
4.587
ASN96
4.828
ARG99
2.853
ARG192
3.739
LYS202
1.380
TYR207
2.683
GLU237
2.674
GLY239
4.652
THR240
3.191
MET241
3.991
Residue
Distance (Å)
ASN242
3.755
LEU266
3.619
PRO267
4.772
GLY268
3.390
VAL269
2.940
VAL270
3.033
ARG271
4.385
SER311
4.271
GLY312
3.777
THR313
2.755
References  Top
REF 1 Crystal structure of an oxidized mutant of human mitochondrial branched-chain aminotransferase. Acta Crystallogr F Struct Biol Commun. 2020 Jan 1;76(Pt 1):14-19.
REF 2 Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library. ACS Med Chem Lett. 2015 Jul 21;6(8):919-24.
REF 3 The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem. 2015 Sep 24;58(18):7140-63.
REF 4 Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J Med Chem. 2016 Mar 24;59(6):2452-67.
REF 5 Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. ACS Med Chem Lett. 2016 Feb 8;7(4):379-84.
REF 6 Intact Protein Analysis at 21 Tesla and X-Ray Crystallography Define Structural Differences in Single Amino Acid Variants of Human Mitochondrial Branched-Chain Amino Acid Aminotransferase 2 (BCAT2). J Am Soc Mass Spectrom. 2017 Sep;28(9):1796-1804.
REF 7 Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin. J Biol Chem. 2005 Nov 4;280(44):37246-56.
REF 8 Human mitochondrial branched chain aminotransferase isozyme: structural role of the CXXC center in catalysis. J Biol Chem. 2006 Dec 22;281(51):39660-71.
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