Structure of PDB 1zrt Chain Q Binding Site BS01

Receptor Information
>1zrt Chain Q (length=248) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAFSFEGIFGKYDQAQLRRGFQVYNEVCSACHGMKFVPIRTLADDGGPQL
DPTFVREYAAGLDTIIDKDSGEERDRKETDMFPTRVGDGMGPDLSVMAKA
RAGFSGPAGSGMNQLFKGMGGPEYIYNYVIGFEENPECAPEGIDGYYYNK
TFQIGGVPDTCKDAAGVKITHGSWARMPPPLVDDQVTYEDGTPATVDQMA
QDVSAFLMWAAEPKLVARKQMGLVAMVMLGLLSVMLYLTNKRLWAPYK
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 chain1zrt Chain Q Residue 501 [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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PDB1zrt X-Ray Structure of Rhodobacter Capsulatus Cytochrome bc (1): Comparison with its Mitochondrial and Chloroplast Counterparts.
Resolution3.51 Å
Binding residue
(original residue number in PDB)		C34 C37 H38 M96 G97 P98 Y134 F158 A181 R182 M183 P184 P186
Binding residue
(residue number reindexed from 1)		C28 C31 H32 M90 G91 P92 Y128 F152 A175 R176 M177 P178 P180
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
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1zrt, PDBe:1zrt, PDBj:1zrt
PDBsum1zrt
PubMed16034531
UniProtP0CY49|CY1_RHOCA Cytochrome c1 (Gene Name=petC)

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