Structure of PDB 1rcw Chain C Binding Site BS01

Receptor Information
>1rcw Chain C (length=213) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFLDQLDLIIQNKHMLEHTFYVKWSKGELTKEQLQAYAKDYYLHIKAFPK
YLSAIHSRCDDLEARKLLLDNLMDEENGYPNHIDLWKQFVFALGVTPEEL
EAHEPSEAAKAKVATFMRWCTGDSLAAGVAALYSYESQIPRIAREKIRGL
TEYFGFSNPEDYAYFTEHEEADVRHAREEKALIEMLLKDDADKVLEASQE
VTQSLYGFLDSFL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1rcw Chain C Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rcw Structure of the Chlamydia protein CADD reveals a redox enzyme that modulates host cell apoptosis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E81 H88 H174
Binding residue
(residue number reindexed from 1)		E75 H82 H168
Annotation score4
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rcw, PDBe:1rcw, PDBj:1rcw
PDBsum1rcw
PubMed15087448
UniProtO84616|CADD_CHLTR 4-aminobenzoate synthase (Gene Name=CT_610)

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