Structure of PDB 3vpn Chain A Binding Site BS02

Receptor Information
>3vpn Chain A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGVEDEPLLRENPRRFVIFPIEYHDIWQMYKKAEASFWTAEDVDLSKDIQ
HWESLKPEERYFISHVLAFFAASDGIVNENLVERFSQEVQITEARCFYGF
QIAMENIHSEMYSLLIDTYIKDPKEREFLFNAIETMPCVKKKADWALRWI
GDKEATYGERVVAFAAVEGIFFSGSFASIFWLKKRGLMPGLTFSNELISR
DEGLHCDFACLMFKHLVHKPSEERVREIIINAVRIEQEFLTEALPVKLIG
MNCTLMKQYIEFVADRLMLELGFSKVFRVENPFDFM
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3vpn Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vpn Essential role of E106 in the proton-coupled electron transfer in human
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R78 V81 T156
Binding residue
(residue number reindexed from 1)		R14 V17 T92
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y176
Catalytic site (residue number reindexed from 1) Y112
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0009263 deoxyribonucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3vpn, PDBe:3vpn, PDBj:3vpn
PDBsum3vpn
PubMed
UniProtP31350|RIR2_HUMAN Ribonucleoside-diphosphate reductase subunit M2 (Gene Name=RRM2)

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