Structure of PDB 6myt Chain C Binding Site BS01

Receptor Information
>6myt 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
GIRHLVWDMGKGFKLSQVEQSGVVVLILTLLSSAAIAAM
Ligand information
Ligand IDAT5
InChIInChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1
InChIKeyOVULNOOPECCZRG-CIUDSAMLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=C(OC)C(=C(C(=O)N1)C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)O
ACDLabs 10.04O=C(C1=C(O)C(OC)=C(OC)NC1=O)C(C)CC(C)C(Cl)CCl
OpenEye OEToolkits 1.5.0CC(CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)C(CCl)Cl
OpenEye OEToolkits 1.5.0C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl
CACTVS 3.341COC1=C(OC)C(=C(C(=O)N1)C(=O)[CH](C)C[CH](C)[CH](Cl)CCl)O
FormulaC15 H21 Cl2 N O5
Name3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE;
ATPENIN A5;
AA5
ChEMBLCHEMBL1081615
DrugBankDB04631
ZINCZINC000014262625
PDB chain6myt Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6myt Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		I27 W32 M36 S39 I40 R43
Binding residue
(residue number reindexed from 1)		I26 W31 M35 S38 I39 R42
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6myt, PDBe:6myt, PDBj:6myt
PDBsum6myt
PubMed34089891
UniProtD0VWW3

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