Structure of PDB 8snh Chain E Binding Site BS03

Receptor Information
>8snh Chain E (length=468) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAYNYKVVRQFAIMTVVWGVIGMGLGVLIASQLVWPQMNFDLPWTSFGRL
RPLHTNLVIFAFGGCALFATSYYTVQRTCQVRLFSDTLAAFTFWGWQAVA
VILLVSLPLGNTTTKEYAEIEFTGAIWLAIVWVAYAVVFFGTLIKRKVKH
IYVGNWFFGSFILTTAMLHIVNHMSLPVSWFKSYSMYSGATDAMVQWWYG
HNAVGFFLTTGFLGMMYYFVPKQAGRPVYSYRLSIVHFWALITLYIWAGP
HHLHYTALPDWAQSLGMVMSLILLAPSWGGMINGMMTLSGAWHKLRDDPI
LRFLVVSLAFYGMSTFEGPMMAIKTVNALSHYTDWTIGHVHAGALGWVAM
ITIGSLYHLIPKVYGVEKMHSVGLINAHFWLATIGTVLYIASLWVNGITQ
GLMWRAVNEDGTLTYSFVESLVASHPGFIVRLVGGGFFLTGMLLMSYNTW
RTVRQARPEGILAAARMA
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 chain8snh Chain E Residue 505 [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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PDB8snh Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y124 W204 V211 L215 H258 H259 T322 G325 P326 M328 A329 H338 H346 V347 G350
Binding residue
(residue number reindexed from 1)		Y117 W197 V204 L208 H251 H252 T315 G318 P319 M321 A322 H331 H339 V340 G343
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8snh, PDBe:8snh, PDBj:8snh
PDBsum8snh
PubMed37751552
UniProtQ9HWP8

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