Structure of PDB 155c Chain A Binding Site BS01
Receptor Information
>155c Chain A (length=134) Species:
266
(Paracoccus denitrificans) [
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NEGDAAKGEKEFNKCKACHMIQAPDGTDIKGGKTGPNLYGVVGRKIASEE
GFKYGEGILEVAEKNPDLTWTEANLIEYVTDPKPLVKKMTDDKGAKTKMT
FKMGKNQADVVAFLAQDDPDAGGGGGGGGGGGGG
Ligand information
Ligand ID
HEM
InChI
InChI=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-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(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 3.385
CC1=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 12.01
C=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
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
155c Chain A Residue 135 [
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Receptor-Ligand Complex Structure
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PDB
155c
The structure of Paracoccus denitrificans cytochrome c550.
Resolution
2.5 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 score
4
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
PDBsum
155c
PubMed
180013
UniProt
P00096
|CY550_PARDE Cytochrome c-550 (Gene Name=cycA)
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