Structure of PDB 8ugg Chain 3P Binding Site BS01

Receptor Information
>8ugg Chain 3P (length=379) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNIRKSHPLMKIINNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLF
LAMHYTSDTTTAFSSVTHICRDVNYGWVIRYLHANGASMFFICLFIHVGR
GLYYGSYMFLETWNIGVVLLFTVMATAFMGYVLPWGQMSFWGATVITNLL
SAIPYIGTDLVEWIWGGFSVDKATLTRFFAFHFILPFIITALAAVHLLFL
HETGSNNPTGISSDMDKIPFHPYYTIKDILGALFMMLILLILVLFSPDLL
GDPDNYTPANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALVASILI
LILMPMLHTSKQRSMMFRPLSQCLFWMLVADLITLTWIGGQPVEHPFIII
GQLASILYFLIILVLMPITSIIENNLLKW
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 chain8ugg Chain 3P Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ugg High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Q44 G48 L49 R80 H83 A87 T126 G130 L133 P134 F179 H182 F183 P186
Binding residue
(residue number reindexed from 1)		Q44 G48 L49 R80 H83 A87 T126 G130 L133 P134 F179 H182 F183 P186
Annotation score1
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022900 electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
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:8ugg, PDBe:8ugg, PDBj:8ugg
PDBsum8ugg
PubMed38811722
UniProtQ1HBG9

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