Structure of PDB 8kht Chain B Binding Site BS01

Receptor Information
>8kht Chain B (length=285) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLKVKGEGLGAQVTGVDPKNLDDITTDEIRDIVYTNKLVVLKDVHPSPR
EFIKLGRIIGQIVPYYEPMYHHEDHPEIFVSSTEEGQGVPKTGAFWHIDY
MFMPEPFAFSMVLPLAVPGHDRGTYFIDLARVWQSLPAAKRDPARGTVST
HDPRRHIKIRPSDVYRPIGEVWDEINRTTPPIKWPTVIRHPKTGQEILYI
CATGTTKIEDKDGNPVDPEVLQELMAATGQLDPEYQSPFIHTQHYQVGDI
ILWDNRVLMHRAKHGTLTTYRLTMLDGLKTPGYAA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain8kht Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8kht Variation in Biosynthesis and Metal-Binding Properties of Isonitrile-Containing Peptides Produced by Mycobacteria versus Streptomyces.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H113 D115 H276
Binding residue
(residue number reindexed from 1)		H97 D99 H260
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
1.14.11.17: taurine dioxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:8kht, PDBe:8kht, PDBj:8kht
PDBsum8kht
PubMed38895101
UniProtP9WG83|INLPE_MYCTU (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase (Gene Name=Rv0097)

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