Structure of PDB 3ee4 Chain A Binding Site BS02

Receptor Information

>3ee4 Chain A (length=289) Species: 1773 (Mycobacterium tuberculosis)

TRTRSGSLAAGGLNWASLPLKLFAGGNAKFWHPADIDFTRDRADWEKLSD
DERDYATRLCTQFIAGEEAVTEDIQPFMSAMRAEGRLADEMYLTQFAFEE
AKHTQVFRMWLDAVGISEDLHRYLDDLPAYRQIFYAELPECLNALSADPS
PAAQVRASVTYNHIVEGMLALTGYYAWHKICVERAILPGMQELVRRIGDD
ERRHMAWGTFTCRRHVAADDANWTVFETRMNELIPLALRLIEEGFALYGD
QPPFDLSKDDFLQYSTDKGMRRFGTISNARGRPVAEIDV

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: 3ee4 Chain A Residue 317

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ee4 A Mycobacterium tuberculosis ligand-binding Mn/Fe protein reveals a new cofactor in a remodeled R2-protein scaffold
• Resolution: 1.9 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:3ee4, PDBe:3ee4, PDBj:3ee4
• PDBsum: 3ee4
• PubMed: 19321420
• UniProt: P9WH69|RIR2H_MYCTU R2-like ligand binding oxidase (Gene Name=nrdB)