Structure of PDB 8f5v Chain A Binding Site BS02

Receptor Information
>8f5v Chain A (length=167) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDAAAQELLRDAFTRLIEHVDELTDGLTDQLASYRPTPSANSIAWLLWHS
ARVQDIQVAHVAGVEEVWTRDGWVDRFGLDLPRHDTGYGHRPEDVAKVRA
PADLLSGYYHAVHKLTLEYIAGMTADELSRVVDTSWNPPVTVSARLVSIV
DDCAQHLGQAAYLRGIA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8f5v Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8f5v The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H52 D155 H159
Binding residue
(residue number reindexed from 1)		H49 D152 H156
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8f5v, PDBe:8f5v, PDBj:8f5v
PDBsum8f5v
PubMed36970142
UniProtO53728

[Back to BioLiP]