Structure of PDB 1r2f Chain A Binding Site BS01

Receptor Information
>1r2f Chain A (length=283) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISAINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQQL
TIRVFTGLTLLDTIQNIAGAPSLMADAITPHEEAVLSNISFMEAVHARSY
SSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEPLKKKIASV
FLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQI
ALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAFLC
YNANKALMNLGYEALFPPEMADVNPAILAALSP
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 chain1r2f Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r2f Structure of Salmonella typhimurium nrdF ribonucleotide reductase in its oxidized and reduced forms.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D67 E98 H101 E192
Binding residue
(residue number reindexed from 1)		D62 E93 H96 E187
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:1r2f, PDBe:1r2f, PDBj:1r2f
PDBsum1r2f
PubMed9748343
UniProtP17424|RIR4_SALTY Ribonucleoside-diphosphate reductase 2 subunit beta (Gene Name=nrdF)

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