Structure of PDB 2r2f Chain A Binding Site BS01

Receptor Information
>2r2f Chain A (length=286) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRISAINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQ
QLTIRVFTGLTLLDTIQNIAGAPSLMADAITPHEEAVLSNISFMEAVHAR
SYSSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEPLKKKIA
SVFLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKY
QIALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAF
LCYNANKALMNLGYEALFPPEMADVNPAILAALSPN
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 chain2r2f Chain A Residue 320 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r2f Structure of Salmonella typhimurium nrdF ribonucleotide reductase in its oxidized and reduced forms.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D67 E98 H101 E158 E192 H195
Binding residue
(residue number reindexed from 1)		D64 E95 H98 E155 E189 H192
Annotation score1
Enzymatic activity
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
Cellular Component
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:2r2f, PDBe:2r2f, PDBj:2r2f
PDBsum2r2f
PubMed9748343
UniProtP17424|RIR4_SALTY Ribonucleoside-diphosphate reductase 2 subunit beta (Gene Name=nrdF)

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