Structure of PDB 8snh Chain G Binding Site BS01

Receptor Information
>8snh Chain G (length=304) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTFWSLYITALTVGTLIALLWLVFATRKGEAKGTTEKTMGHSYDGIEEY
DNPLPKWWFMLYIGTIVFSVGYLVLYPGLGNWKGVLPGYEGGWTQDKQWE
REMNIAQEKYGPIFAKYAAMPIEEVAKDEHAMKMGSRMFATYCSICHGSD
AKGALGFPNLADNEWRWGGDPQSIETTILGGRHAIMAAWGDILGEDGVKN
VAAYVRTELAGLKLPEGTKADVEAGKQIFSVNCVACHGPEGKGTALVGAP
NLTNPGAFIYGSSYAQLQQTIRHGRQGQMPAQEPYLGKEKVHILAAYIYN
LSHN
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 chain8snh Chain G Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8snh Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C143 C146 H147 F157 P158 L160 W165 R166 W167 T177 I178 A184 G277 Q278 M279 P280 Q282
Binding residue
(residue number reindexed from 1)		C143 C146 H147 F157 P158 L160 W165 R166 W167 T177 I178 A184 G277 Q278 M279 P280 Q282
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8snh, PDBe:8snh, PDBj:8snh
PDBsum8snh
PubMed37751552
UniProtQ9I3G2

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