Structure of PDB 7u2v Chain A Binding Site BS02
Receptor Information
>7u2v Chain A (length=114) Species:
36329
(Plasmodium falciparum 3D7) [
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FVLPPGDKVKGEKLFKKHCKQCHSIAPDTSWGPTLFNVYNRTAGMSKGNS
LYTSGIIWNDVNLLKYMKNPQQFVESHIGMNFKGLSNLQERVDIVHYLKT
LTYDDPYGKQIVEK
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
7u2v Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
7u2v
Direct tests of cytochrome c and c1 functions in the electron transport chain of malaria parasites
Resolution
2.55 Å
Binding residue
(original residue number in PDB)
W58 F116
Binding residue
(residue number reindexed from 1)
W31 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
Cellular Component
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:7u2v
,
PDBe:7u2v
,
PDBj:7u2v
PDBsum
7u2v
PubMed
37126705
UniProt
Q8I6T6
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