Structure of PDB 3puq Chain A Binding Site BS04

Receptor Information

>3puq Chain A (length=472) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TPKESDRCGGCGKFTNDFQWIGCDSCQTWYHFLCSGLEQFEYYLYEKFFC
PKCVPHTGHSIRYKVVAPHRYRWYSPNEKHLGIEVGSKTWIEDFITRENT
VPSPTDDEVCIVEDGYEFRREFEKLGGADNWGKVFMVKDMDGLNMTMPKP
GFDLEDVVKIMGSDYEVDTIDVYNQSTYSMKLDTFRKLFRDTKNRPLLYN
FLSLEFSDNNEMKEIAKPPRFVQEISMVNRLWPDVYLPEDQRPKVEQFCL
AGMAGSYTDFHVDFGGSSVYYHILKGEKIFYIAAPTEQNFAAYQAHETSP
DTTTWFGDIANGAVKRVVIKEGQTLLIPAGWIHAVLTPVDSLVFGGNFLH
LGNLEMQMRVYHLENAIRKEIRSEEKFYFPNFELLHWMYMRNVLLEKITE
ANQEGSDMREQEKNIWTASQIMKAEMERWMDRELRLGPEKNAILPTDDKN
KIMISVRKQIEIQTKIQNAKNK

Ligand information

Ligand ID

AKG

InChI

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

InChIKey

KPGXRSRHYNQIFN-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6	C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385	OC(=O)CCC(=O)C(O)=O

Formula

C5 H6 O5

Name

2-OXOGLUTARIC ACID

PDB chain

3puq Chain A Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3puq Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Resolution	2.25 Å
Binding residue (original residue number in PDB)	L423 T492 H495 Y505 K512 H567 V569
Binding residue (residue number reindexed from 1)	L202 T258 H261 Y271 K278 H333 V335
Annotation score	4

Enzymatic activity

Enzyme Commision number

1.14.11.-

External links

PDB	RCSB:3puq, PDBe:3puq, PDBj:3puq
PDBsum	3puq
PubMed	21251613
UniProt	Q9GYI0\|KDM7_CAEEL Lysine-specific demethylase 7 homolog (Gene Name=jmjd-1.2)

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