Structure of PDB 1vf1 Chain A Binding Site BS01

Receptor Information
>1vf1 Chain A (length=226) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKPVLYYFNGRGKMESIRWLLAAAGVEFEEVFLETREQYEKLLQSGILMF
QQVPMVEIDGMKLVQTRAILNYIAGKYNLYGKDLKERALIDMYVGGTDDL
MGFLLSFPFLSAEDKVKQCAFVVEKATSRYFPAYEKVLKDHGQDFLVGNR
LSWADIHLLEAILMVEEKKSDALSGFPLLQAFKKRISSIPTIKKFLAPGS
KRKPISDDKYVETVRRVLRMYYDVKP
Ligand information
Ligand IDGSH
InChIInChI=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
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain1vf1 Chain A Residue 2457 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vf1 Crystal structures of chicken glutathione S-transferase A1-1
Resolution1.77 Å
Binding residue
(original residue number in PDB)		Y9 Q54 V55 Q67 T68 M222 Y223
Binding residue
(residue number reindexed from 1)		Y7 Q52 V53 Q65 T66 M220 Y221
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y9 K15 R20
Catalytic site (residue number reindexed from 1) Y7 K13 R18
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
Biological Process
GO:0006749 glutathione metabolic process
GO:0006805 xenobiotic metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vf1, PDBe:1vf1, PDBj:1vf1
PDBsum1vf1
PubMed
UniProtP26697|GSTA3_CHICK Glutathione S-transferase 3

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