Structure of PDB 4ikh Chain A Binding Site BS02

Receptor Information
>4ikh Chain A (length=227) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAFAVTQKWPAQFPEWIQLYSLPTPNGVKVSIMLEEIGLPYEAHRVSFET
QDQMTPEFLSVSPNNKIPAILDPHGPGDQPLALFESGAILIYLADKSGQL
LAQESAARYETIQWLMFQMGGIGPMFGQVGFFNKFAGREYEDKRPLERYV
NEAKRLLGVLDKHLGGREWIMGERYTIADIATFPWIRNLIGFYEAGELVG
IDNFPEVKRVLAKFVARPAVIRGLEIP
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 chain4ikh Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ikh Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N30 G127 P128 W189
Binding residue
(residue number reindexed from 1)		N26 G123 P124 W185
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) P29
Catalytic site (residue number reindexed from 1) P25
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ikh, PDBe:4ikh, PDBj:4ikh
PDBsum4ikh
PubMed
UniProtQ4KED9

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