Structure of PDB 7q21 Chain B Binding Site BS02

Receptor Information
>7q21 Chain B (length=534) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLATVGNNLDSRYTMASGIRRQINKVFPTHWSFMLGEIALYSFIVLLLTG
VYLTLFFDPSITKVIYDGGYLPLNGVEMSRAYATALDISFEVRGGLFIRQ
MHHWAALLFVVSMLVHMLRIFFTGAFRRPREANWIIGVVLIILGMAEGFM
GYSLPDDLLSGVGLRIMSAIIVGLPIIGTWMHWLIFGGDFPSDLMLDRFY
IAHVLIIPAILLGLIAAHLALVWYQKHTQFPGAGRTENNVIGIRIMPLFA
VKAVAFGLIVFGFLALLAGVTTINAIWNLGPYNPSQVSAGSQPDVYMLWT
DGAARVMPAWELYLGNYTIPAVFWVAVMLGILVVLLVTYPFIERKFTGDD
AHHNLLQRPRDVPVRTSLGVMALVFYILLTVSGGNDVYAMQFHVSLNAMT
WIGRIGLIVGPAIAYFITYRLCIGLQRSDREVLEHGIETGIIKQMPNGAF
IEVHQPLGPVDDHGHPIPLPYAGAAVPKQMNQLGYAEVETRGGFFGPDPE
DIRAKAKEIEHANHIEEANTLRALNEANIERDKN
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 chain7q21 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q21 The respiratory supercomplex from C. glutamicum.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		L47 G51 L54 T55 R100 H103 H104 A107 E148 G152 Y153 P156 H204 V205 N275
Binding residue
(residue number reindexed from 1)		L46 G50 L53 T54 R99 H102 H103 A106 E147 G151 Y152 P155 H203 V204 N274
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:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q21, PDBe:7q21, PDBj:7q21
PDBsum7q21
PubMed34910901
UniProtQ79VE9|QCRB_CORGL Cytochrome bc1 complex cytochrome b subunit (Gene Name=qcrB)

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