Structure of PDB 7agl Chain A Binding Site BS01

Receptor Information
>7agl Chain A (length=212) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAGRIVVLDPGHNGANDSSINNQVPDGRGGTKSCQTSGTATDGGYPEHTF
TWNTVLLIRQQLTQLGVRTAMTRGDDNKLGPCIDKRAEIENSYNPDAVVS
IHADGGPAGGHGFHVNYSNPPVNAVQGEPTLRFAKTMRDSLQAAGLTPAT
YIGTGGLYGRSDLAGLNLAQHPKVLVELGNMKNAQDSAMMTSPEGRSKYA
QAVVQGIVAYLS
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 chain7agl 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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PDB7agl Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H25 E60 H115
Binding residue
(residue number reindexed from 1)		H12 E47 H102
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:7agl, PDBe:7agl, PDBj:7agl
PDBsum7agl
PubMed33158165
UniProtA0A418LHZ8

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