Structure of PDB 4m6i Chain A Binding Site BS01

Receptor Information
>4m6i Chain A (length=185) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAGMVVFIDPGHTSTNSGYPEHTFTWETGLRLRAALNALGVRTALSRGND
GPCVDERANMANALRPNAIVSLHADGGPASGRGFHVNYSAPPLNAIQAGP
SVQFARIMRDQLQASGIPKANYIGQDGLYGRSDLAGLNLAQYPSILVELG
NMKNPADSALMESAEGRQKYANALVRGVAGFLATQ
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 chain4m6i Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m6i Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling.
Resolution2.666 Å
Binding residue
(original residue number in PDB)		H35 E70 H125
Binding residue
(residue number reindexed from 1)		H12 E21 H73
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.-.-
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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Biological Process
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Cellular Component
External links
PDB RCSB:4m6i, PDBe:4m6i, PDBj:4m6i
PDBsum4m6i
PubMed24019530
UniProtO69684

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