Structure of PDB 5t7h Chain A Binding Site BS02
Receptor Information
>5t7h Chain A (length=106) Species:
559292
(Saccharomyces cerevisiae S288C) [
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FKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYS
YTDANIKKNVLWDENNMSEYLTNPAKYIPGTKMAFGGLKKEKDRNDLITY
LKKASE
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
5t7h Chain A Residue 205 [
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Receptor-Ligand Complex Structure
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PDB
5t7h
Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
Resolution
2.003 Å
Binding residue
(original residue number in PDB)
R13 C14 C17 H18 G29 P30 I35 S40 G41 Y48 T49 W59 Y67 L68
Binding residue
(residue number reindexed from 1)
R16 C17 C20 H21 G32 P33 I38 S43 G44 Y51 T52 W62 Y70 L71
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
GO:1901612
cardiolipin binding
Biological Process
GO:0006122
mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123
mitochondrial electron transport, cytochrome c to oxygen
Cellular Component
GO:0005739
mitochondrion
GO:0005758
mitochondrial intermembrane space
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5t7h
,
PDBe:5t7h
,
PDBj:5t7h
PDBsum
5t7h
PubMed
27990813
UniProt
P00044
|CYC1_YEAST Cytochrome c isoform 1 (Gene Name=CYC1)
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