Structure of PDB 1pmt Chain A Binding Site BS01

Receptor Information
>1pmt Chain A (length=201) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLYYTPGSCSLSPHIVLRETGLDFSIERIDLRTKKTESGKDFLAINPKG
QVPVLQLDNGDILTEGVAIVQYLADLKPDRNLIAPPKALERYHQIEWLNF
LASEVHKGYSPLFSSDTPESYLPVVKNKLKSKFVYINDVLSKQKCVCGDH
FTVADAYLFTLSQWAPHVALDLTDLSHLQDYLARIAQRPNVHSALVTEGL
I
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 chain1pmt Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pmt A mixed disulfide bond in bacterial glutathione transferase: functional and evolutionary implications.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S9 C10 Q51 V52 E65 G66 H106 K107 W164
Binding residue
(residue number reindexed from 1)		S9 C10 Q51 V52 E65 G66 H106 K107 W164
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S9
Catalytic site (residue number reindexed from 1) S9
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1pmt, PDBe:1pmt, PDBj:1pmt
PDBsum1pmt
PubMed9655824
UniProtP15214|GST_PROMI Glutathione S-transferase GST-6.0 (Gene Name=gstB)

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