Structure of PDB 2ani Chain A Binding Site BS01

Receptor Information
>2ani Chain A (length=317) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QADILDGKQKRVNLNSKRLVNCNQVDVNQLVPIKYKWAWEHYLNGCANNW
LPTEIPMGKDIELWKSDRLSEDERRVILLNLGFFSTAESLVGNNIVLAIF
KHVTNPEARQYLLRQAFEEAVHTHTYLYICESLGLDEKEIFNAYNERAAI
KAKDDFQMEITGKVLDPNFRTDSVEGLQEFVKNLVGYYIIMEGIFFYSGF
VMILSFHRQNKMIGIGEQYQYILRDETIHLNFGIDLINGIKEENPEIWTP
ELQQEIVELIKRAVDLEIEYAQDCLPRGILGLRASMFIDYVQHIADRRLE
RIGLKPIYHTKNPFPWM
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 chain2ani Chain A Residue 347 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ani Structure of the high-valent FeIIIFeIV state in ribonucleotide reductase (RNR) of Chlamydia trachomatis--combined EPR, 57Fe-, 1H-ENDOR and X-ray studies.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E120 E193 E227 H230
Binding residue
(residue number reindexed from 1)		E119 E192 E226 H229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y127 D226
Catalytic site (residue number reindexed from 1) Y126 D225
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0009263 deoxyribonucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ani, PDBe:2ani, PDBj:2ani
PDBsum2ani
PubMed17827077
UniProtO84835|RIR2_CHLTR Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdB)

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