Structure of PDB 7ei0 Chain A Binding Site BS01

Receptor Information
>7ei0 Chain A (length=241) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMNYEEVIKKYKGNENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGS
VESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICT
DDDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISV
AVSDDFAFYKEGIFDGECGDQLNHAVMLVGFGMKEIVNPLTKKGEKHYYY
IIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain7ei0 Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ei0 New insights of falcipain 2 structure from Plasmodium falciparum 3D7 strain.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		E5 K135 E138
Binding residue
(residue number reindexed from 1)		E5 K135 E138
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.-
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7ei0, PDBe:7ei0, PDBj:7ei0
PDBsum7ei0
PubMed34974303
UniProtQ8I6U4|FPC2A_PLAF7 Falcipain-2a (Gene Name=FP2A)

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