Structure of PDB 3vpn Chain B Binding Site BS01

Receptor Information
>3vpn Chain B (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 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 chain3vpn Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vpn Essential role of E106 in the proton-coupled electron transfer in human
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E169 E232 E266 H269
Binding residue
(residue number reindexed from 1)		E105 E168 E202 H205
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

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

[Back to BioLiP]