Structure of PDB 8hnq Chain A Binding Site BS02

Receptor Information
>8hnq Chain A (length=286) Species: 2664417 (Devosia sp. D6-9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMSEPNAALAGQFKIGGDLTINRLGFGAMRITGEGIWGQPKDVEEA
RRVLRRLKALGVNFVDTAESYGPEVSEQLIADELYPYDGFVIATKAGLQR
PGPNHWVQDGRPEVLRRGLEASLKRLKVERIDLWQLHRIDSKVPRDEQFA
AIAGFVKDGLVRHVGLSEVTVEEIEAAQKYFPVATIQNRYNLFDRASEEE
LEFCEANAIGFIPWAPLASGRVGGRPVLEAVAQRHGASPGQIALAWMLKR
SPVILPIPGTGKVAHLEENVAAAGITLSEGDMAELE
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain8hnq Chain A Residue 304 [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]
PDB8hnq The structure of AKR13B2
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L93 W101 R133
Binding residue
(residue number reindexed from 1)		L98 W106 R138
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004033 aldo-keto reductase (NADPH) activity
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8hnq, PDBe:8hnq, PDBj:8hnq
PDBsum8hnq
PubMed
UniProtA0A6B8QJ47

[Back to BioLiP]