Structure of PDB 8ugr Chain 6C Binding Site BS02

Receptor Information
>8ugr Chain 6C (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 chain8ugr Chain 6C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ugr High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution6.5 Å
Binding residue
(original residue number in PDB)		W31 G34 L37 G38 F90 L94 H97 R100 F109 W113 G116 V117 L119 H196 L200 S205 N206
Binding residue
(residue number reindexed from 1)		W31 G34 L37 G38 F90 L94 H97 R100 F109 W113 G116 V117 L119 H196 L200 S205 N206
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:8ugr, PDBe:8ugr, PDBj:8ugr
PDBsum8ugr
PubMed38811722
UniProtQ1HBG9

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