Structure of PDB 3ch3 Chain X Binding Site BS01

Receptor Information
>3ch3 Chain X (length=256) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMFCNKEYCNRLKDENNCISNLQVEDQGNCDTSWIFASKYHLETIRCMKG
YEPTKISALYVANCYKGEHKDRCDEGSSPMEFLQIIEDYGFLPAESNYPY
NYVKVGEQCPKVEDHWMNLWDNGKILHGKGYTAYESERFHDNMDAFVKII
KTEVMNKGSVIAYIKAENVMGYEFSGKKVQNLCGDDTADHAVNIVGYGNY
VNSEGEKKSYWIVRNSWGPYWGDEGYFKVDMYGPTHCHFNFIHSVVIFNV
DLPMNN
Ligand information
Ligand ID2HP
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)O
CACTVS 3.341O[P](O)([O-])=O
FormulaH2 O4 P
NameDIHYDROGENPHOSPHATE ION
ChEMBL
DrugBankDB02831
ZINC
PDB chain3ch3 Chain X Residue 829 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ch3 Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Q590 D594 S596 H762
Binding residue
(residue number reindexed from 1)		Q27 D31 S33 H190
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H762 N787
Catalytic site (residue number reindexed from 1) H190 N215
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:3ch3, PDBe:3ch3, PDBj:3ch3
PDBsum3ch3
PubMed19591843
UniProtQ9TY95|SERA5_PLAF7 Serine-repeat antigen protein 5 (Gene Name=SERA5)

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