Structure of PDB 4lq6 Chain A Binding Site BS01

Receptor Information
>4lq6 Chain A (length=213) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMVVFIDPGHNGANDASIGRQVPTGRGGTKNCQASGTSTNSGYPEHTFTW
ETGLRLRAALNALGVRTALSRGNDNALGPCVDERANMANALRPNAIVSLH
ADGGPASGRGFHVNYSAPPLNAIQAGPSVQFARIMRDQLQASGIPKANYI
GQDGLYGRSDLAGLNLAQYPSILVELGNMKNPADSALMESAEGRQKYANA
LVRGVAGFLATQG
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 chain4lq6 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lq6 The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		H11 E46 H101
Binding residue
(residue number reindexed from 1)		H10 E45 H100
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008745 N-acetylmuramoyl-L-alanine amidase activity
GO:0046872 metal ion binding
Biological Process
GO:0009253 peptidoglycan catabolic process
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lq6, PDBe:4lq6, PDBj:4lq6
PDBsum4lq6
PubMed24311595
UniProtO69684

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