Structure of PDB 1ytz Chain I Binding Site BS02

Receptor Information
>1ytz Chain I (length=141) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEKKRRAATARRQHLKSAMLQLAVTEIEKEAAAKEVEKQNYLAEHSPPLS
LPGSMQELQELSKKLHAKIDSVDEERYDTEVKLQKTNKELEDLSQKLFDL
RGKFKRPPLRRVRMSADAMLRALLGSKHKVNMDLRANLKQV
Ligand information
Ligand IDDR6
InChIInChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3
InChIKeyWEGJDERSZWOWIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
CACTVS 3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
FormulaC74 H142 O31
NameALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL);
OCTYLPHENOXYPOLYETHOXYETHANOL;
ALKYLPHENOL-HYDROXYPOLYOXYETHEYLENE;
TRITON X-305;
ANAPOE-305
ChEMBL
DrugBankDB04682
ZINC
PDB chain1ytz Chain C Residue 205 [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]
PDB1ytz Ca2+-regulated structural changes in troponin
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R115 M116 M121
Binding residue
(residue number reindexed from 1)		R113 M114 M119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0003009 skeletal muscle contraction
GO:0060048 cardiac muscle contraction
Cellular Component
GO:0005861 troponin complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ytz, PDBe:1ytz, PDBj:1ytz
PDBsum1ytz
PubMed15784741
UniProtP68246|TNNI2_CHICK Troponin I, fast skeletal muscle (Gene Name=TNNI2)

[Back to BioLiP]