Structure of PDB 8ovd Chain H Binding Site BS10

Receptor Information
>8ovd Chain H (length=533) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFAKLAAAQGDAIDSRYHPSAAVRRQLNKVFPTHWSFLLGEIALYSFIIL
LLTGVWLTLFFDPSMAHVTYDGVYQPLRGVQMSRAYETALDISFEVRGGL
FVRQVHHWAALMFAASIMVHLARIFFTGAFRRPREANWVIGSLLLILAMF
EGFFGYSLPDDLLSGTGIRAALSGITMGIPVIGTWMHWALFGGDFPGEIL
IPRLYALHILLIPGIILALIGAHLALVWFQKHTQFPGPGRTETNVVGVRV
MPVFAVKSGAFFAMITGVLGLMGGLLTINPIWNLGPYKPSQVSAGSQPDF
YMMWTDGLIRLWPAWEFYPFGHTIPQGVWVAVGMGLVFALLIAYPFIEKK
VTGDDAHHNLLQRPRDVPVRTAIGSMAIALYLLLTFACMNDIIALKFHIS
LNATTWIGRIGMVVLPAIVYFVAYRWAISLQRSDREVLEHGVETGIIKRL
PHGAYVELHQPLGPVDEHGHPIPLEYAGAPLPKRMNKLGSGGAPGTGSFL
FPDPAVEHEALTEAAHASEHKSLTALKEHQDRI
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 chain8ovd Chain H Residue 908 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ovd Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F40 G43 F116 I120 H123 R126 I127 W141 G144 S145 L147 H226 V230 H235 T236
Binding residue
(residue number reindexed from 1)		F37 G40 F113 I117 H120 R123 I124 W138 G141 S142 L144 H223 V227 H232 T233
Annotation score1
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ovd, PDBe:8ovd, PDBj:8ovd
PDBsum8ovd
PubMed38902248
UniProtA0R052

[Back to BioLiP]