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 T53510 Target Info
Target Name Glutathione S-transferase A2 (GSTA2)
Synonyms GTH2; GSTA2-2; GST2; GST-gamma; GST class-alpha member 2; GST HA subunit 2
Target Type Literature-reported Target
Gene Name GSTA2
UniProt ID
GSTA2_HUMAN
Ligand General Information  Top
Ligand Name Glutathione Ligand Info
Canonical SMILES C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
InChI 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey RWSXRVCMGQZWBV-WDSKDSINSA-N
PubChem Compound ID 124886
Drug Binding Sites of Target  Top
PDB ID: 4ACS      Crystal structure of mutant GST A2-2 with enhanced catalytic efficiency with azathioprine
Method X-ray diffraction Resolution 2.10 Å Mutation Yes [1]
PDB Sequence
KPKLHYSNIR
13
GRMESIRWLL
23
AAAGVEFEEK
33
FIKSAEDLDK
43
LRNDGYLMFQ
53

QVPMVEIDGM
63
KLVQTRAILN
73
YIASKYNLYG
83
KDIKEKALID
93
MYIEGIADLG
103

EMIGDLSFSQ
113
PEEQDAKLAL
123
IQEKTKNRYF
133
PAFEKVLKSH
143
GQDYLVGNKL
153

SRADIHLVEL
163
LYYVEELDSS
173
LISSFPLLKA
183
LKTRISNLPT
193
VKKFLQPGSP
203

RKPPMDEKSL
213
EESRKIFRH
Residue
Distance (Å)
TYR9
3.223
ARG15
3.874
LEU41
4.348
ARG45
2.995
GLN53
3.920
GLN54
3.187
Residue
Distance (Å)
VAL55
2.592
PRO56
3.536
GLN67
2.672
THR68
2.461
ARG69
4.940
PHE220
3.234
PDB ID: 2WJU      Glutathione transferase A2-2 in complex with glutathione
Method X-ray diffraction Resolution 2.30 Å Mutation No [2]
PDB Sequence
AEKPKLHYSN
11
IRGRMESIRW
21
LLAAAGVEFE
31
EKFIKSAEDL
41
DKLRNDGYLM
51

FQQVPMVEID
61
GMKLVQTRAI
71
LNYIASKYNL
81
YGKDIKEKAL
91
IDMYIEGIAD
101

LGEMILLLPF
111
TQPEEQDAKL
121
ALIQEKTKNR
131
YFPAFEKVLK
141
SHGQDYLVGN
151

KLSRADIHLV
161
ELLYYVEELD
171
SSLISSFPLL
181
KALKTRISNL
191
PTVKKFLQPG
201

SPRKPPMDEK
211
SLEESRKIFR
221
F
Residue
Distance (Å)
TYR9
3.029
ARG15
3.305
LEU41
4.411
ARG45
3.090
GLN53
4.339
GLN54
3.197
VAL55
2.941
Residue
Distance (Å)
PRO56
3.618
VAL66
4.996
GLN67
2.718
THR68
2.916
ARG69
4.708
PHE220
3.633
References  Top
REF 1 Structure-based redesign of GST A2-2 for enhanced catalytic efficiency with azathioprine. Chem Biol. 2012 Mar 23;19(3):414-21.
REF 2 Structural basis for featuring of steroid isomerase activity in alpha class glutathione transferases. J Mol Biol. 2010 Mar 19;397(1):332-40.

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