Structure of PDB 4c5p Chain A Binding Site BS01

Receptor Information
>4c5p Chain A (length=272) Species: 1781 (Mycobacterium marinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLTGYLDRINYRGATDPTLDVLRDLVSAHTGAIAFENLDPLMGVPVDDLS
AEALADKLVDRRRGGYCYEHNGLIGYVLAELGYRVRRLAGRVVWLAPPDA
PTPAQTHTVLAVTFPGCQGPYLVDVGFGGMTPTAPLRLETGTVQQTALEP
YRLDDRGDGLVLQAMVRDEWQALYEFSTLTRPQVDLRVGSWFVSTHPTSH
FVTGLMAATVADDARWNLMGRNLAIHRRGGTEKILLEDAAAVVDTLGDRF
GINVADVGERGRLEARIDKVCF
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain4c5p Chain A Residue 1278 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c5p Arylamine N-Acetyltransferases from Mycobacteria: Investigations of a Potential Target for Anti- Tubercular Therapy
Resolution1.592 Å
Binding residue
(original residue number in PDB)		N220 N225
Binding residue
(residue number reindexed from 1)		N217 N222
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E39 R65 C70 H110 D127
Catalytic site (residue number reindexed from 1) E36 R62 C67 H107 D124
Enzyme Commision number 2.3.1.5: arylamine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0016407 acetyltransferase activity
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:4c5p, PDBe:4c5p, PDBj:4c5p
PDBsum4c5p
PubMed
UniProtB2HIZ6

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