Structure of PDB 8hcr Chain N Binding Site BS02

Receptor Information
>8hcr Chain N (length=524) Species: 33892 (Mycobacterium tuberculosis variant bovis BCG) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LARQAEDIDTRYHPSAALRRQLNKVFPTHWSFLLGEIALYSFVVLLITGV
YLTLFFDPSMVDVTYNGVYQPLRGVEMSRAYQSALDISFEVRGGLFVRQI
HHWAALMFAAAIMVHLARIFFTGAFRRPRETNWVIGSLLLILAMFEGYFG
YSLPDDLLSGLGLRAALSSITLGMPVIGTWLHWALFGGDFPGTILIPRLY
ALHILLLPGIILALIGLHLALVWFQKHTQFPGPGRTEHNVVGVRVMPVFA
FKSGAFFAAIVGVLGLMGGLLQINPIWNLGPYKPSQVSAGSQPDFYMMWT
EGLARIWPPWEFYFWHHTIPAPVWVAVIMGLVFVLLPAYPFLEKRFTGDY
AHHNLLQRPRDVPVRTAIGAMAIAFYMVLTLAAMNDIIALKFHISLNATT
WIGRIGMVILPPFVYFITYRWCIGLQRSDRSVLEHGVETGIIKRLPHGAY
IELHQPLGPVDEHGHPIPLQYQGAPLPKRMNKLGSAGSPGSGSFLFADSA
AEDAALREAGHAAEQRALAALREH
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 chain8hcr Chain N Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hcr Cryo-Electron Microscopy Structure of the Mycobacterium tuberculosi s Cytochrome bcc : aa 3 Supercomplex and a Novel Inhibitor Targeting Subunit Cytochrome c I.
ResolutionN/A
Binding residue
(original residue number in PDB)		L58 G62 V63 F69 R111 H114 H115 E159 G163 P167 H216
Binding residue
(residue number reindexed from 1)		L45 G49 V50 F56 R98 H101 H102 E146 G150 P154 H203
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:8hcr, PDBe:8hcr, PDBj:8hcr
PDBsum8hcr
PubMed37158740
UniProtP9WP37|QCRB_MYCTU Cytochrome bc1 complex cytochrome b subunit (Gene Name=qcrB)

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