Structure of PDB 1ppj Chain C Binding Site BS02

Receptor Information
>1ppj Chain C (length=365) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFLAMHYTSDTTTAFS
SVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRGLYYGSYTFLETWN
IGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTNLVEWI
WGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLHETGSNNPTGISSD
VDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLGDPDNYTPANPLNT
PPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILILALIPLLHTSKQRS
MMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIGQLASVLYFLLILV
LMPTAGTIENKLLKW
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1ppj Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ppj Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q44 G48 L49 L51 R80 H83 T126 G130 Y131 L133 H182 F183 P186
Binding residue
(residue number reindexed from 1)		Q30 G34 L35 L37 R66 H69 T112 G116 Y117 L119 H168 F169 P172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H201 S205 K227 D228 E271
Catalytic site (residue number reindexed from 1) H187 S191 K213 D214 E257
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
GO:0048039 ubiquinone binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ppj, PDBe:1ppj, PDBj:1ppj
PDBsum1ppj
PubMed16024040
UniProtP00157|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)

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