Structure of PDB 3pur Chain A Binding Site BS01

Receptor Information
>3pur Chain A (length=483) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKESDRCGGCGKFTLMSKKKSHHHKKNDFQWIGCDSCQTWYHFLCSGLEQ
FEYYLYEKFFCPKCVPHTGHSIRYKVVAPHRYRWYSPNEKHLGIEVGSKT
WIEDFITRENTVPSPTDDEVCIVEDGYEFRREFEKLGGADNWGKVFMVKD
MDGLNMTMPKPGFDLEDVVKIMGSDYEVDTIDVYNQSTYSMKLDTFRKLF
RDTKNRPLLYNFLSLEFSDNNEMKEIAKPPRFVQEISMVNRLWPDVYLPE
DQRPKVEQFCLAGMAGSYTDFHVDFGGSSVYYHILKGEKIFYIAAPTEQN
FAAYQAHETSPDTTTWFGDIANGAVKRVVIKEGQTLLIPAGWIHAVLTPV
DSLVFGGNFLHLGNLEMQMRVYHLENAIRKEIRSEEKFYFPNFELLHWMY
MRNVLLEKITEANQEGSDMREQEKNIWTASQIMKAEMERWMDRELRLGPE
KNAILPTDDKNKIMISVRKQIEIQTKIQNAKNK
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3pur Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3pur Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H495 D497 H567
Binding residue
(residue number reindexed from 1)		H272 D274 H344
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.11.-
External links
PDB RCSB:3pur, PDBe:3pur, PDBj:3pur
PDBsum3pur
PubMed21251613
UniProtQ9GYI0|KDM7_CAEEL Lysine-specific demethylase 7 homolog (Gene Name=jmjd-1.2)

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