Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T89082 Target Info
Target Name Hydroxymethylglutaryl-CoA synthase 2 (HMGCS2)
Synonyms HMGCS2; HMG-CoAsynthase; 3-hydroxy-3-methylglutaryl coenzyme A synthase 2
Target Type Literature-reported Target
Gene Name HMGCS2
Biochemical Class Acyltransferase
UniProt ID
HMCS2_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: (S)-3-hydroxy-3-methylglutaryl-CoA Ligand Info
Structure Description CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2) PDB:2WYA
Method X-ray diffraction Resolution 1.70 Å Mutation No [1]
PDB Sequence
SMPKDVGILA
58
LEVYFPAQYV
68
DQTDLEKYNN
78
VEAGKYTVGL
88
GQTRMGFCSV
98

QEDINSLCLT
108
VVQRLMERIQ
118
LPWDSVGRLE
128
VGTETIIDKS
138
KAVKTVLMEL
148

FQDSGNTDIE
158
GIDTTNACYG
168
GTASLFNAAN
178
WMESSSWDGR
188
YAMVVCGDIA
198

VYPSGNARPT
208
GGAGAVAMLI
218
GPKAPLALER
228
GLRGTHMENV
238
YDFYKPNLAS
248

EYPIVDGKLS
258
IQCYLRALDR
268
CYTSYRKKIQ
278
NQWKQAGSDR
288
PFTLDDLQYM
298

IFHTPFCKMV
308
QKSLARLMFN
318
DFLSASSDTQ
328
TSLYKGLEAF
338
GGLKLEDTYT
348

NKDLDKALLK
358
ASQDMFDKKT
368
KASLYLSTHN
378
GNMYTSSLYG
388
CLASLLSHHS
398

AQELAGSRIG
408
AFSYGSGLAA
418
SFFSFRVSQD
428
AAPGSPLDKL
438
VSSTSDLPKR
448

LASRKCVSPE
458
EFTEIMNQRE
468
QFYHKVNFSP
478
PGDTNSLFPG
488
TWYLERVDEQ
498

HRRKYARRPV
508
Residue
Distance (Å)
GLU80
3.074
ALA81
3.170
GLY82
3.506
LYS83
3.432
VAL86
3.758
GLY87
3.274
LEU88
4.308
GLU132
2.339
ALA165
3.152
CYS166
3.037
TYR200
3.656
ASN204
2.740
ALA205
3.520
THR208
3.245
ASP240
4.708
PHE241
3.243
VAL253
3.832
Residue
Distance (Å)
GLY255
3.576
LYS256
4.760
SER258
2.904
ILE259
4.094
TYR262
3.683
HIS301
2.935
PRO303
3.283
PHE304
3.391
LYS306
3.530
MET307
4.480
LYS310
2.650
ASN380
3.110
TYR382
3.727
TYR412
3.761
GLY413
3.547
SER414
2.938
References  Top
REF 1 Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design. J Mol Biol. 2010 May 14;398(4):497-506.

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