Structure of PDB 1yq4 Chain C Binding Site BS01

Receptor Information
>1yq4 Chain C (length=139) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTAKEEMARFWEKNTKSSRPLSPHISIYKWSLPMAMSITHRGTGVALSL
GVSLFSLAALLLPEQFPHYVAVVKSLSLSPALIYSAKFALVFPLSYHTWN
GIRHLVWDMGKGFKLSQVEQSGVVVLILTLLSSAGIAAI
Ligand information
Ligand IDJZR
InChIInChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyJVAZJLFFSJARQM-RMPHRYRLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 1.7.0CCCCCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.352CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.352CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
FormulaC12 H24 O6
Namehexyl beta-D-glucopyranoside;
hexyl beta-D-glucoside;
hexyl D-glucoside;
hexyl glucoside
ChEMBL
DrugBank
ZINCZINC000004521560
PDB chain1yq4 Chain C Residue 142 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yq4 3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
Resolution2.33 Å
Binding residue
(original residue number in PDB)		K31 W32 S33 L34 E120
Binding residue
(residue number reindexed from 1)		K30 W31 S32 L33 E119
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005739 mitochondrion
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:1yq4, PDBe:1yq4, PDBj:1yq4
PDBsum1yq4
PubMed16371358
UniProtD0VWW3

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