Structure of PDB 2yiu Chain B Binding Site BS01

Receptor Information
>2yiu Chain B (length=206) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DISFSFEGPFGKFDQHQLQRGLQVYTEVCSACHGLRYVPLRTLADEGGPQ
LPEDQVRAYAANFDITDPETEEDRPRVPTDHFPTVSGEGMGPDLSLMAKA
RIGGPEYIHAVLTGYDGEEKVLYHNAAFAGNWIQMAAPLSDDQVTYEDGT
PATVDQMATDVAAFLMWTAEPKMMDRKQVGFVSVIFLIVLAALLYLTNKK
LWQPIK
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 chain2yiu Chain B Residue 500 [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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PDB2yiu X-Ray Structure of the Dimeric Cytochrome Bc(1) Complex from the Soil Bacterium Paracoccus Denitrificans at 2.7-A Resolution.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V81 C82 C85 H86 G144 P145 R154 Y177 L182 F203 Q209 M210
Binding residue
(residue number reindexed from 1)		V28 C29 C32 H33 G91 P92 R101 Y107 L112 F128 Q134 M135
Annotation score4
Enzymatic activity
Enzyme Commision number 1.10.2.2: Transferred entry: 7.1.1.8.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:2yiu, PDBe:2yiu, PDBj:2yiu
PDBsum2yiu
PubMed21996020
UniProtP13627|CY1_PARDE Cytochrome c1 (Gene Name=petC)

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