Structure of PDB 1rcw Chain A Binding Site BS01

Receptor Information

>1rcw Chain A (length=213) Species: 813 (Chlamydia trachomatis)

NFLDQLDLIIQNKHMLEHTFYVKWSKGELTKEQLQAYAKDYYLHIKAFPK
YLSAIHSRCDDLEARKLLLDNLMDEENGYPNHIDLWKQFVFALGVTPEEL
EAHEPSEAAKAKVATFMRWCTGDSLAAGVAALYSYESQIPRIAREKIRGL
TEYFGFSNPEDYAYFTEHEEADVRHAREEKALIEMLLKDDADKVLEASQE
VTQSLYGFLDSFL

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: 1rcw Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rcw Structure of the Chlamydia protein CADD reveals a redox enzyme that modulates host cell apoptosis.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E81 H88 H174
• Binding residue (residue number reindexed from 1): E75 H82 H168
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.3.3.-

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0090729 toxin activity

Biological Process

• GO:0006790 sulfur compound metabolic process
• GO:0035821 modulation of process of another organism
• GO:0044281 small molecule metabolic process
• GO:1901615 organic hydroxy compound metabolic process

Cellular Component

• GO:0005576 extracellular region
• GO:0030430 host cell cytoplasm

External links

• PDB: RCSB:1rcw, PDBe:1rcw, PDBj:1rcw
• PDBsum: 1rcw
• PubMed: 15087448
• UniProt: O84616|CADD_CHLTR 4-aminobenzoate synthase (Gene Name=CT_610)