Structure of PDB 3pur Chain C Binding Site BS03

Receptor Information
>3pur Chain C (length=496) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKESDRCGGCGKFTHLMSKKKSHHHKKNDFQWIGCDSCQTWYHFLCSGLE
QFEYYLYEKFFCPKCVPHTGHSIRYKVVAPHRYRWYSPNEKHLGIEVGSK
TWIEDFITRENTVPSPTDDEVCIVEDGYEFRREFEKLGGADNWGKVFMVK
DMDGLNMTMPKPGFDLEDVVKIMGSDYEVDTIDVYNQSTYSMKLDTFRKL
FRDTKNRPLLYNFLSLEFSDNNEMKEIAKPPRFVQEISMVNRLWPDVSGE
YIKLLQREEYLPEDQRPKVEQFCLAGMAGSYTDFHVDFGGSSVYYHILKG
EKIFYIAAPTEQNFAAYQAHETSPDTTTWFGDIANGAVKRVVIKEGQTLL
IPAGWIHAVLTPVDSLVFGGNFLHLGNLEMQMRVYHLENAIRKEIRSEEK
FYFPNFELLHWMYMRNVLLEKITEANQEGSDMREQEKNIWTASQIMKAEM
ERWMDRELRLGPEKNAILPTDDKNKIMISVRKQIEIQTKIQNAKNK
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 C Residue 3 [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)		C244 C247 C271 C274
Binding residue
(residue number reindexed from 1)		C35 C38 C62 C65
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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