Structure of PDB 8ugd Chain 3Q Binding Site BS01

Receptor Information
>8ugd 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 chain8ugd Chain 3Q Residue 501 [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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PDB8ugd High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		C37 C40 H41 N105 A108 P111 R120 Y126 F153 I158 A159 M160
Binding residue
(residue number reindexed from 1)		C36 C39 H40 N104 A107 P110 R119 Y125 F152 I157 A158 M159
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:8ugd, PDBe:8ugd, PDBj:8ugd
PDBsum8ugd
PubMed38811722
UniProtA0A287AZF9

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