Structure of PDB 1vf2 Chain A Binding Site BS01
Receptor Information
>1vf2 Chain A (length=225) Species:
9031
(Gallus gallus) [
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KPVLYYFNGRGKMESIRWLLAAAGVEFEEVFLETREQYEKLLQSGILMFQ
QVPMVEIDGMKLVQTRAILNYIAGKYNLYGKDLKERALIDMYVGGTDDLM
GFLLSFPFLSAEDKVKQCAFVVEKATSRYFPAYEKVLKDHGQDFLVGNRL
SWADIHLLEAILMVEEKKSDALSGFPLLQAFKKRISSIPTIKKFLAPGSK
RKPISDDKYVETVRRVLRMYYDVKP
Ligand information
Ligand ID
GTX
InChI
InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1
InChIKey
HXJDWCWJDCOHDG-RYUDHWBXSA-O
SMILES
Software
SMILES
CACTVS 3.341
CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O)C(=O)NCC(O)=O
CACTVS 3.341
CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(O)=O)C(=O)NCC(O)=O
ACDLabs 10.04
O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC
OpenEye OEToolkits 1.5.0
CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]
OpenEye OEToolkits 1.5.0
CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]
Formula
C16 H30 N3 O6 S
Name
S-HEXYLGLUTATHIONE
ChEMBL
DrugBank
ZINC
PDB chain
1vf2 Chain A Residue 2457 [
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Receptor-Ligand Complex Structure
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PDB
1vf2
Crystal structures of chicken glutathione S-transferase A1-1
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
Y9 K15 Q54 V55 Q67 T68 L220 M222 Y223
Binding residue
(residue number reindexed from 1)
Y6 K12 Q51 V52 Q64 T65 L217 M219 Y220
Annotation score
2
Enzymatic activity
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:1vf2
,
PDBe:1vf2
,
PDBj:1vf2
PDBsum
1vf2
PubMed
UniProt
P26697
|GSTA3_CHICK Glutathione S-transferase 3
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