Structure of PDB 155c Chain A Binding Site BS01

Receptor Information
>155c Chain A (length=134) Species: 266 (Paracoccus denitrificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEGDAAKGEKEFNKCKACHMIQAPDGTDIKGGKTGPNLYGVVGRKIASEE
GFKYGEGILEVAEKNPDLTWTEANLIEYVTDPKPLVKKMTDDKGAKTKMT
FKMGKNQADVVAFLAQDDPDAGGGGGGGGGGGGG
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 chain155c Chain A Residue 135 [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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PDB155c The structure of Paracoccus denitrificans cytochrome c550.
Resolution2.5 Å
Binding residue
(original residue number in PDB)
C15 C18 H19 I46 A47 Y54 G55 I58 W70 Y78 V79 K98 M99
Binding residue
(residue number reindexed from 1)
C15 C18 H19 I46 A47 Y54 G55 I58 W70 Y78 V79 K98 M99
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:155c, PDBe:155c, PDBj:155c
PDBsum155c
PubMed180013
UniProtP00096|CY550_PARDE Cytochrome c-550 (Gene Name=cycA)

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