Structure of PDB 3pur Chain A Binding Site BS02

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3pur Chain A Residue 2 [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]
PDB3pur Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C198 C201 H252 C255
Binding residue
(residue number reindexed from 1)		C7 C10 H42 C45
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)

[Back to BioLiP]