Structure of PDB 1cyc Chain B Binding Site BS01
Receptor Information
>1cyc Chain B (length=103) Species:
8226
(Katsuwonus pelamis) [
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GDVAKGKKTFVQKCAQCHTVENGGKHKVGPNLWGLFGRKTGQAEGYSYTD
ANKSKGIVWNENTLMEYLENPKKYIPGTKMIFAGIKKKGERQDLVAYLKS
ATS
Ligand information
Ligand ID
HEC
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,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-;
InChIKey
HXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=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 1.5.0
CC=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 3.341
C\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 3.341
CC=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
Formula
C34 H34 Fe N4 O4
Name
HEME C
ChEMBL
DrugBank
ZINC
PDB chain
1cyc Chain B Residue 104 [
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Receptor-Ligand Complex Structure
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PDB
1cyc
The crystal structure of bonito (katsuo) ferrocytochrome c at 2.3 A resolution. II. Structure and function.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
K13 C14 C17 H18 L32 R38 Y46 Y48 N52 T78 K79 M80 F82
Binding residue
(residue number reindexed from 1)
K13 C14 C17 H18 L32 R38 Y46 Y48 N52 T78 K79 M80 F82
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
Biological Process
GO:0006122
mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123
mitochondrial electron transport, cytochrome c to oxygen
GO:0043280
positive regulation of cysteine-type endopeptidase activity involved in apoptotic process
Cellular Component
GO:0005739
mitochondrion
GO:0005758
mitochondrial intermembrane space
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1cyc
,
PDBe:1cyc
,
PDBj:1cyc
PDBsum
1cyc
PubMed
166072
UniProt
P00025
|CYC_KATPE Cytochrome c (Gene Name=cyc)
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