Structure of PDB 5ci2 Chain A Binding Site BS01

Receptor Information
>5ci2 Chain A (length=349) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYTTFSQTKNDQLKEPMFFGQPVNVARYDQQKYDIFEKLIEKQLSFFWRP
EEVDVSRDRIDYQALPEHEKHIFISNLKYQTLLDSIQGRSPNVALLPLIS
IPELETWVETWAFSETIHSRSYTHIIRNIVNDPSVVFDDIVTNEQIQKRA
EGISSYYDELIEMTSYWHLLGEGTHTVNGKTVTVSLRELKKKLYLCLMSV
NALEAIRFYVSFACSFAFAERELMEGNAKIIRLIARDEALHLTGTQHMLN
LLRSGADDPEMAEIAEECKQECYDLFVQAAQQEKDWADYLFRDGSMIGLN
KDILCQYVEYITNIRMQAVGLDLPFQTRSNPIPWINTWLVSDNVQVAPQ
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain5ci2 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ci2 Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D84 E115 H118 E204 E238 H241
Binding residue
(residue number reindexed from 1)		D84 E115 H118 E204 E238 H241
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y122 D237
Catalytic site (residue number reindexed from 1) Y122 D237
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:0005506 iron ion binding
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009185 ribonucleoside diphosphate metabolic process
GO:0009263 deoxyribonucleotide biosynthetic process
GO:0009265 2'-deoxyribonucleotide biosynthetic process
GO:0015949 nucleobase-containing small molecule interconversion
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005971 ribonucleoside-diphosphate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ci2, PDBe:5ci2, PDBj:5ci2
PDBsum5ci2
PubMed27276098
UniProtP69924|RIR2_ECOLI Ribonucleoside-diphosphate reductase 1 subunit beta (Gene Name=nrdB)

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