Structure of PDB 1lc1 Chain A Binding Site BS01
Receptor Information
>1lc1 Chain A (length=104) Species:
9796
(Equus caballus) [
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GDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTD
ANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKK
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
1lc1 Chain A Residue 105 [
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Receptor-Ligand Complex Structure
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PDB
1lc1
Structure function relationship of reduced cytochrome c probed by complete solution structure determination in 30% acetonitrile/water solution
Resolution
N/A
Binding residue
(original residue number in PDB)
F10 K13 C14 C17 H18 T28 P30 T40 N52 W59 Y67 L68 T78 K79 M80 F82
Binding residue
(residue number reindexed from 1)
F10 K13 C14 C17 H18 T28 P30 T40 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:0008289
lipid binding
GO:0009055
electron transfer activity
GO:0020037
heme binding
GO:0042802
identical protein 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:0018063
cytochrome c-heme linkage
GO:0043065
positive regulation of apoptotic process
GO:0043280
positive regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:2001056
positive regulation of cysteine-type endopeptidase activity
Cellular Component
GO:0005739
mitochondrion
GO:0005758
mitochondrial intermembrane space
GO:0005829
cytosol
GO:0070069
cytochrome complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1lc1
,
PDBe:1lc1
,
PDBj:1lc1
PDBsum
1lc1
PubMed
12764601
UniProt
P00004
|CYC_HORSE Cytochrome c (Gene Name=CYCS)
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