Structure of PDB 4ac8 Chain A Binding Site BS01

Receptor Information

>4ac8 Chain A (length=311) Species: 83332 (Mycobacterium tuberculosis H37Rv)

TRTRSGSLAAGGLNWASLPLKLFAGGNAKFWHPADIDFTRDRADWEKLSD
DERDYATRLCTQFIAGEEAVTEDIQPFMSAMRAEGRLADEMYLTQFAFEE
AKHTQVFRMWLDAVGISEDLHRYLDDLPAYRQIFYAELPECLNALSADPS
PAAQVRASVTYNHIVEGMLALTGYYAWHKICVERAILPGMQELVRRIGDD
ERRHMAWGTFTCRRHVAADDANWTVFETRMNELIPLALRLIEEGFALYGD
QPPFDLSKDDFLQYSTDKGMRRFGTISNARGRPVAEIDVDYSPAQLEDTF
ADEDRRTLAAA

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4ac8 Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ac8 A Dynamic C-Terminal Segment in the Mycobacterium Tuberculosis Mn/Fe R2Lox Protein Can Adopt a Helical Structure with Possible Functional Consequences.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): E101 E167 E202 H205
• Binding residue (residue number reindexed from 1): E100 E166 E201 H204
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.-.-.-

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009263 deoxyribonucleotide biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4ac8, PDBe:4ac8, PDBj:4ac8
• PDBsum: 4ac8
• PubMed: 22976985
• UniProt: P9WH69|RIR2H_MYCTU R2-like ligand binding oxidase (Gene Name=nrdB)