Structure of PDB 4nl5 Chain B Binding Site BS02

Receptor Information
>4nl5 Chain B (length=100) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVVKINAIEVPAGAGPELEKRFAHRAHAVENSPGFLGFQLLRPVKGEERY
FVVTHWESDEAFQAWANGPAIAAHAGHRANPVATGASLLEFEVVLDVGGT
Ligand information
Ligand IDCYN
InChIInChI=1S/CN/c1-2/q-1
InChIKeyXFXPMWWXUTWYJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[C-]#N
FormulaC N
NameCYANIDE ION
ChEMBL
DrugBank
ZINC
PDB chain4nl5 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nl5 Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N7 I9 F23 V53
Binding residue
(residue number reindexed from 1)		N6 I8 F22 V52
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.57: heme oxygenase (mycobilin-producing).
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
GO:0004497 monooxygenase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0042167 heme catabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nl5, PDBe:4nl5, PDBj:4nl5
PDBsum4nl5
PubMed24901029
UniProtP9WKH3|MHUD_MYCTU Heme oxygenase (mycobilin-producing) (Gene Name=mhuD)

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