Structure of PDB 3pur Chain C Binding Site BS04

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 ID

2HG

InChI

InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1

InChIKey

HWXBTNAVRSUOJR-GSVOUGTGSA-N

SMILES

Software	SMILES
CACTVS 3.370	O[CH](CCC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)CCC(O)C(=O)O
OpenEye OEToolkits 1.7.0	C(CC(=O)O)C(C(=O)O)O
OpenEye OEToolkits 1.7.0	C(CC(=O)O)[C@H](C(=O)O)O
CACTVS 3.370	O[C@H](CCC(O)=O)C(O)=O

Formula

C5 H8 O5

Name

(2R)-2-hydroxypentanedioic acid

PDB chain

3pur Chain C Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	3pur Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Resolution	2.1 Å
Binding residue (original residue number in PDB)	T492 H495 Y505 K512 H567 V569
Binding residue (residue number reindexed from 1)	T282 H285 Y295 K302 H357 V359
Annotation score	1
Binding affinity	MOAD: Ki=10.87mM

Enzymatic activity

Enzyme Commision number

1.14.11.-

External links

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

[Back to BioLiP]