Structure of PDB 8ugn Chain 3Q Binding Site BS01

Receptor Information
>8ugn Chain 3Q (length=239) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLELHAPSYPWSHRGLLSSLDHTSIRRGFQVYKQVCSSCHSMDYVAYRHL
VGVCYTEEEAKALAEEVEVQDGPNEDGEMFMRPGKLSDYFPKPYPNPEAA
RAANNGALPPDLSYIVRARHGGEDYVFSLLTGYCEPPTGVSLREGLYFNP
YFPGQAIAMAPPIYNEVLEFDDGTPATMSQVAKDVCTFLRWASEPEHDHR
KRMGLKMLMMMGLLLPLVYAMKRHKWSVLKSRKLAYRPP
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain8ugn Chain 3Q Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ugn High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V36 C37 C40 H41 N105 P110 P111 R120 Y126 L131 F153 M160 P163
Binding residue
(residue number reindexed from 1)		V35 C36 C39 H40 N104 P109 P110 R119 Y125 L130 F152 M159 P162
Annotation score4
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner 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:8ugn, PDBe:8ugn, PDBj:8ugn
PDBsum8ugn
PubMed38811722
UniProtA0A287AZF9

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