Structure of PDB 3zcf Chain B Binding Site BS01
Receptor Information
>3zcf Chain B (length=104) Species:
9606
(Homo sapiens) [
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GDVEKGKKIFIMKCSQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGYSYTA
ANKNKGIIWGEDTLMEYLENPKKYIPGTKMIFVGIKKKEERADLIAYLKK
ATNE
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
3zcf Chain B Residue 105 [
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Receptor-Ligand Complex Structure
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PDB
3zcf
The Hydrogen Peroxide Induced Radical Behaviour in Human Cytochrome C Phospholipid Complexes: Implications for the Enhanced Pro-Apoptotic Activity of the G41S Mutant
Resolution
1.65 Å
Binding residue
(original residue number in PDB)
K13 C14 C17 H18 T28 G29 P30 T40 G41 Y46 Y48 T49 N52 W59 Y67 L68 T78 K79 M80 F82
Binding residue
(residue number reindexed from 1)
K13 C14 C17 H18 T28 G29 P30 T40 G41 Y46 Y48 T49 N52 W59 Y67 L68 T78 K79 M80 F82
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005515
protein binding
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:0006915
apoptotic process
GO:0045333
cellular respiration
GO:0097193
intrinsic apoptotic signaling pathway
GO:0097194
execution phase of apoptosis
Cellular Component
GO:0005634
nucleus
GO:0005739
mitochondrion
GO:0005743
mitochondrial inner membrane
GO:0005758
mitochondrial intermembrane space
GO:0005829
cytosol
GO:0043293
apoptosome
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Cellular Component
External links
PDB
RCSB:3zcf
,
PDBe:3zcf
,
PDBj:3zcf
PDBsum
3zcf
PubMed
24099549
UniProt
P99999
|CYC_HUMAN Cytochrome c (Gene Name=CYCS)
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