Structure of PDB 8abl Chain O Binding Site BS01

Receptor Information
>8abl Chain O (length=244) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTAAEHGLHPAEYPWPQNGMLSTFDHASLRRGYQVYKEVCAACHSLDRIA
WRNLVGVTHTTDEAKAFAEELEYDDEPDDEGNPRKRPGKLADYIPGPYPN
EQAARAANQGALPPDLSLIAKARHGGADYIFALLTGYPDEPPAGVVLAPG
MNYNPYFPGGGIGMARTLFDGVVEYEDGTPATTSQMAKDVAAFLTWAAEP
EHDERKKLGLKAIIVISAMLGLSVYIKKFKWSPIKNRKFIYNPP
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 chain8abl Chain O Residue 401 [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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PDB8abl Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V123 C124 C127 H128 P197 R207 Y213 L218 F241 G247 M248 T251
Binding residue
(residue number reindexed from 1)		V39 C40 C43 H44 P113 R123 Y129 L134 F157 G163 M164 T167
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.8: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
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:8abl, PDBe:8abl, PDBj:8abl
PDBsum8abl
PubMed36598500
UniProtQ6CGP7

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