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 T63068 Target Info
Target Name Serum albumin (ALB)
Synonyms Serum albumin
Target Type Successful Target
Gene Name ALB
UniProt ID
ALBU_HUMAN
Ligand General Information  Top
Ligand Name Lauric acid Ligand Info
Canonical SMILES CCCCCCCCCCCC(=O)O
InChI 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey POULHZVOKOAJMA-UHFFFAOYSA-N
PubChem Compound ID 3893
Drug Binding Sites of Target  Top
PDB ID: 1E7F      HUMAN SERUM ALBUMIN COMPLEXED WITH DODECANOIC ACID (LAURIC ACID)
Method X-ray diffraction Resolution 2.43 Å Mutation No [1]
PDB Sequence
HKSEVAHRFK
12
DLGEENFKAL
22
VLIAFAQYLQ
32
QCPFEDHVKL
42
VNEVTEFAKT
52

CVADESAENC
62
DKSLHTLFGD
72
KLCTVATLRE
82
TYGEMADCCA
92
KQEPERNECF
102

LQHKDDNPNL
112
PRLVRPEVDV
122
MCTAFHDNEE
132
TFLKKYLYEI
142
ARRHPYFYAP
152

ELLFFAKRYK
162
AAFTECCQAA
172
DKAACLLPKL
182
DELRDEGKAS
192
SAKQRLKCAS
202

LQKFGERAFK
212
AWAVARLSQR
222
FPKAEFAEVS
232
KLVTDLTKVH
242
TECCHGDLLE
252

CADDRADLAK
262
YICENQDSIS
272
SKLKECCEKP
282
LLEKSHCIAE
292
VENDEMPADL
302

PSLAADFVES
312
KDVCKNYAEA
322
KDVFLGMFLY
332
EYARRHPDYS
342
VVLLLRLAKT
352

YETTLEKCCA
362
AADPHECYAK
372
VFDEFKPLVE
382
EPQNLIKQNC
392
ELFEQLGEYK
402

FQNALLVRYT
412
KKVPQVSTPT
422
LVEVSRNLGK
432
VGSKCCKHPE
442
AKRMPCAEDY
452

LSVVLNQLCV
462
LHEKTPVSDR
472
VTKCCTESLV
482
NRRPCFSALE
492
VDETYVPKEF
502

NAETFTFHAD
512
ICTLSEKERQ
522
IKKQTALVEL
532
VKHKPKATKE
542
QLKAVMDDFA
552

AFVEKCCKAD
562
DKETCFAEEG
572
KKLVAASQAA
582
LG
Residue
Distance (Å)
VAL7
4.497
ARG10
3.864
LEU14
3.882
PHE19
3.273
LEU22
4.136
VAL23
3.710
ALA26
4.477
VAL46
3.733
PHE49
3.440
LEU66
3.611
LEU69
3.480
PHE70
3.516
LYS73
3.963
LEU115
4.404
ARG117
3.022
MET123
4.788
PHE134
4.651
LEU135
3.190
TYR138
3.551
LEU139
3.714
ILE142
4.991
TYR150
2.671
PRO152
3.874
ALA158
4.000
TYR161
3.741
PHE165
3.848
LEU182
4.224
ARG186
4.488
LYS199
4.611
ARG209
3.370
ALA210
4.103
LYS212
4.152
ALA213
3.814
VAL216
4.860
ARG218
3.343
LEU219
3.709
ARG222
3.662
PHE223
4.549
LEU238
3.519
VAL241
4.878
HIS242
3.533
LEU251
3.618
ALA254
3.759
ARG257
2.641
ALA258
4.087
LEU260
4.359
ILE264
4.239
LEU283
3.626
LEU284
3.791
SER287
2.425
ILE290
3.974
ALA291
3.538
ASP324
4.153
Residue
Distance (Å)
LEU327
4.064
GLY328
3.929
SER342
2.979
VAL344
3.411
LEU345
4.161
LEU347
4.036
ARG348
2.675
ALA350
4.130
LYS351
4.277
GLU354
3.976
PRO384
3.666
LEU387
3.576
ILE388
3.600
ASN391
4.067
TYR401
2.954
PHE403
4.996
ASN405
3.673
ARG410
3.084
TYR411
2.665
VAL415
3.505
VAL418
3.915
THR422
4.462
LEU423
4.578
VAL426
3.872
LEU430
3.702
VAL433
3.600
GLY434
3.910
MET446
4.423
ALA449
4.228
GLU450
4.196
LEU453
3.751
LEU457
3.974
LEU460
3.568
SER480
4.315
VAL482
4.300
ARG485
3.394
PRO486
4.840
PHE488
3.822
SER489
2.778
PHE507
3.495
PHE509
4.705
LYS525
2.908
ALA528
4.401
LEU529
4.226
LEU532
3.559
VAL547
3.580
MET548
3.471
PHE551
3.613
ALA552
3.966
LEU575
4.604
VAL576
4.298
SER579
3.919
PDB ID: 5VNW      Crystal structure of Nb.b201 bound to human serum albumin
Method X-ray diffraction Resolution 2.60 Å Mutation No [2]
PDB Sequence
AHKSEVAHRF
11
KDLGEENFKA
21
LVLIAFAQYL
31
QQCPFEDHVK
41
LVNEVTEFAK
51

TCVADESAEN
61
CDKSLHTLFG
71
DKLCTVATLR
81
ETYGEMADCC
91
AKQEPERNEC
101

FLQHKDDNPN
111
LPRLVRPEVD
121
VMCTAFHDNE
131
ETFLKKYLYE
141
IARRHPYFYA
151

PELLFFAKRY
161
KAAFTECCQA
171
ADKAACLLPK
181
LDELRDEGKA
191
SSAKQRLKCA
201

SLQKFGERAF
211
KAWAVARLSQ
221
RFPKAEFAEV
231
SKLVTDLTKV
241
HTECCHGDLL
251

ECADDRADLA
261
KYICENQDSI
271
SSKLKECCEK
281
PLLEKSHCIA
291
EVENDEMPAD
301

LPSLAADFVE
311
SKDVCKNYAE
321
AKDVFLGMFL
331
YEYARRHPDY
341
SVVLLLRLAK
351

TYETTLEKCC
361
AAADPHECYA
371
KVFDEFKPLV
381
EEPQNLIKQN
391
CELFEQLGEY
401

KFQNALLVRY
411
TKKVPQVSTP
421
TLVEVSRNLG
431
KVGSKCCKHP
441
EAKRMPCAED
451

YLSVVLNQLC
461
VLHEKTPVSD
471
RVTKCCTESL
481
VNRRPCFSAL
491
EVDETYVPKE
501

FNAETFTFHA
511
DICTLSEKER
521
QIKKQTALVE
531
LVKHKPKATK
541
EQLKAVMDDF
551

AAFVEKCCKA
561
DDKETCFAEE
571
GKKLVAASQA
581
ALG
Residue
Distance (Å)
LEU198
3.787
LYS199
3.055
SER202
3.947
PHE211
3.414
TRP214
3.380
ALA215
4.237
Residue
Distance (Å)
ARG218
4.078
LEU238
3.746
HIS242
4.515
ASP451
4.819
SER454
4.943
LEU481
3.977
References  Top
REF 1 Crystallographic analysis reveals common modes of binding of medium and long-chain fatty acids to human serum albumin. J Mol Biol. 2000 Nov 10;303(5):721-32.
REF 2 Yeast surface display platform for rapid discovery of conformationally selective nanobodies. Nat Struct Mol Biol. 2018 Mar;25(3):289-296.

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