Structure of PDB 2bcc Chain C Binding Site BS04

Receptor Information
>2bcc Chain C (length=379) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APNIRKSHPLLKMINNSLIDLPAPSNISAWWNFGSLLAVCLMTQILTGLL
LAMHYTADTSLAFSSVAHTCRNVQYGWLIRNLHANGASFFFICIFLHIGR
GLYYGSYLYKETWNTGVILLLTLMATAFVGYVLPWGQMSFWGATVITNLF
SAIPYIGHTLVEWAWGGFSVDNPTLTRFFALHFLLPFAIAGITIIHLTFL
HESGSNNPLGISSDSDKIPFHPYYSFKDILGLTLMLTPFLTLALFSPNLL
GDPENFTPANPLVTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAASVLI
LFLIPFLHKSKQRTMTFRPLSQTLFWLLVANLLILTWIGSQPVEHPFIII
GQMASLSYFTILLILFPTIGTLENKMLNY
Ligand information
Ligand IDSIG
InChIInChI=1S/C30H42O5/c1-10-18(2)13-11-12-14-19(3)21(5)22(6)20(4)15-16-24-23(7)28(31)27-25(33-8)17-26(34-9)29(32)30(27)35-24/h10-14,17,19-22,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,20+,21-,22+/m0/s1
InChIKeyUDPIGEIYWVCFED-RBWCRZADSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C
CACTVS 3.341COc1cc(OC)c2C(=O)C(=C(CC[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)\C=C\C=C\C(C)=C\C)Oc2c1O)C
CACTVS 3.341COc1cc(OC)c2C(=O)C(=C(CC[CH](C)[CH](C)[CH](C)[CH](C)C=CC=CC(C)=CC)Oc2c1O)C
OpenEye OEToolkits 1.5.0CC=C(C)C=CC=CC(C)C(C)C(C)C(C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C
ACDLabs 10.04O=C1c2c(OC(=C1C)CCC(C)C(C)C(C)C(\C=C\C=C\C(=C\C)C)C)c(O)c(OC)cc2OC
FormulaC30 H42 O5
NameSTIGMATELLIN
ChEMBL
DrugBank
ZINCZINC000033821517
PDB chain2bcc Chain C Residue 385 [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]
PDB2bcc Electron Transfer by Domain Movement in Cytochrome Bc1
Resolution3.5 Å
Binding residue
(original residue number in PDB)		M125 I147 P271 E272 F275 Y279 L295
Binding residue
(residue number reindexed from 1)		M124 I146 P270 E271 F274 Y278 L294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H202 S206 K228 D229 E272
Catalytic site (residue number reindexed from 1) H201 S205 K227 D228 E271
Enzyme Commision number 1.10.2.2: Transferred entry: 7.1.1.8.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006979 response to oxidative stress
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045275 respiratory chain complex III

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2bcc, PDBe:2bcc, PDBj:2bcc
PDBsum2bcc
PubMed9565029
UniProtP18946|CYB_CHICK Cytochrome b (Gene Name=MT-CYB)

[Back to BioLiP]