Structure of PDB 3h1i Chain P Binding Site BS04

Receptor Information
>3h1i Chain P (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 IDANY
InChIInChI=1S/C29H42N2O9/c1-6-8-9-10-11-13-21-25(40-27(35)17(3)7-2)19(5)39-29(37)23(18(4)38-28(21)36)31-26(34)20-14-12-15-22(24(20)33)30-16-32/h12,14-19,21,23,25,33H,6-11,13H2,1-5H3,(H,30,32)(H,31,34)/t17-,18-,19+,21-,23+,25+/m1/s1
InChIKeyBSSBWOQOFMLGAF-GMRPKDQWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCC[CH]1[CH](OC(=O)[CH](C)CC)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O
ACDLabs 10.04O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCCC)C
OpenEye OEToolkits 1.5.0CCCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)CC
OpenEye OEToolkits 1.5.0CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC
CACTVS 3.341CCCCCCC[C@@H]1[C@@H](OC(=O)[C@H](C)CC)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
FormulaC29 H42 N2 O9
Name2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER;
ANTIMYCIN
ChEMBL
DrugBank
ZINCZINC000058626686
PDB chain3h1i Chain P Residue 3002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3h1i Electron Transfer by Domain Movement in Cytochrome Bc1
Resolution3.53 Å
Binding residue
(original residue number in PDB)		L19 I28 W32 S36 A39 T194 I195 L198 F221 Y225 D229
Binding residue
(residue number reindexed from 1)		L18 I27 W31 S35 A38 T193 I194 L197 F220 Y224 D228
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3h1i, PDBe:3h1i, PDBj:3h1i
PDBsum3h1i
PubMed9565029
UniProtP18946|CYB_CHICK Cytochrome b (Gene Name=MT-CYB)

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