Structure of PDB 1w68 Chain A Binding Site BS01

Receptor Information
>1w68 Chain A (length=281) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEDEPLLRENPRRFVVFPIEYHDIWQMYKKAEASFWTAEEVDLSKDIQHW
EALKPDERHFISHVLAFFAASDGIVNENLVERFSQEVQVTEARCFYGFQI
AMENIHSEMYSLLIDTYIKDPKEREYLFNAIETMPCVKKKADWALRWIGD
KEATYGERVVAFAAVEGIFFSGSFASIFWLKKRGLMPGLTFSNELISRDE
GLHCDFACLMFKHLVHKPAEQRVREIITNAVRIEQEFLTEALPVKLIGMN
CTLMKQYIEFVADRLMLELGFNKIFRVENPF
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 chain1w68 Chain A Residue 1349 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w68 Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D139 E170 H173 E233 E267 H270
Binding residue
(residue number reindexed from 1)		D72 E103 H106 E166 E200 H203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y177 D266
Catalytic site (residue number reindexed from 1) Y110 D199
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:0005515 protein binding
GO:0008199 ferric iron binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0001824 blastocyst development
GO:0009185 ribonucleoside diphosphate metabolic process
GO:0009262 deoxyribonucleotide metabolic process
GO:0009263 deoxyribonucleotide biosynthetic process
GO:0009265 2'-deoxyribonucleotide biosynthetic process
GO:0051290 protein heterotetramerization
GO:0055086 nucleobase-containing small molecule metabolic process
GO:1900087 positive regulation of G1/S transition of mitotic cell cycle
Cellular Component
GO:0005634 nucleus
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:1w68, PDBe:1w68, PDBj:1w68
PDBsum1w68
PubMed15322079
UniProtP11157|RIR2_MOUSE Ribonucleoside-diphosphate reductase subunit M2 (Gene Name=Rrm2)

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