Structure of PDB 3hf1 Chain A Binding Site BS01

Receptor Information
>3hf1 Chain A (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNEEPLLRKSSRRFVIFPIQYPDIWKMYKQAQASFWTAEEVDLSKDLPHW
NKLKADEKYFISHILAFFAASDENLVERFSQEVQVPEARCFYGFQILIEN
VHSEMYSLLIDTYIRDPKKREFLFNAIETMPYVKKKADWALRWIADRKST
FGERVVAFAAVEGVFFSGSFAAIFWLKKRGLMPGLTFSNELISRDEGLHC
DFACLMFQYLVNKPSEERVREIIVDAVKIEQEFLTEALPVGLIGMNCILM
KQYIEFVADRLLVELGFSKVFQAENPFDF
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 chain3hf1 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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PDB3hf1 2.6 A X-ray crystal structure of human p53R2, a p53-inducible ribonucleotide reductase .
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E131 E194 E228 H231
Binding residue
(residue number reindexed from 1)		E99 E162 E196 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y138 D227
Catalytic site (residue number reindexed from 1) Y106 D195
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:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0000731 DNA synthesis involved in DNA repair
GO:0001822 kidney development
GO:0003014 renal system process
GO:0006264 mitochondrial DNA replication
GO:0006281 DNA repair
GO:0006979 response to oxidative stress
GO:0009185 ribonucleoside diphosphate metabolic process
GO:0009200 deoxyribonucleoside triphosphate metabolic process
GO:0009263 deoxyribonucleotide biosynthetic process
GO:0009265 2'-deoxyribonucleotide biosynthetic process
GO:0010971 positive regulation of G2/M transition of mitotic cell cycle
GO:0014075 response to amine
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0070318 positive regulation of G0 to G1 transition
GO:1902254 negative regulation of intrinsic apoptotic signaling pathway by p53 class mediator
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0005971 ribonucleoside-diphosphate reductase complex

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Cellular Component
External links
PDB RCSB:3hf1, PDBe:3hf1, PDBj:3hf1
PDBsum3hf1
PubMed19728742
UniProtQ7LG56|RIR2B_HUMAN Ribonucleoside-diphosphate reductase subunit M2 B (Gene Name=RRM2B)

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