Structure of PDB 8pol Chain B Binding Site BS03

Receptor Information
>8pol Chain B (length=479) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDDAKKIVSELRFLEKVEDVIEKSNIGGNEVDADENSFNPDTEVPIEEIE
EIKMRELKDVKKLRLIVSENHATTPSFFQESLLEPDVLSFLESKGNLSNL
KNINSMIIELKEDTTDDELISYIKILEEKGALIESDKLVSADSRPGKYHF
NDEFRNLQWGLDLSRLDETQELINEHQVMSTRICVIDSGIDYNHPDLKDN
IELNLKELHGRKGFDDDNNGIVDDIYGANFVNNSGNPMDDNYHGTHVSGI
ISAIGNNNIGVVGVDVNSKLIICKALDEHKLGRLGDMFKCLDYCISRNAH
MINGSFSFDEYSGIFNSSVEYLQRKGILFFVSASNCSHPPDIRKCDLSIN
AKYPPILSTVYDNVISVANLKKNDNNNHYSLSINSFYSNKYCQLAAPGTN
IYSTAPHNSYRKLNGTSMAAPHVAAIASLIFSINPDLSYKKVIQILKDSI
VYLPSLKNMVAWAGYADINKAVNLAIKSK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8pol Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8pol Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress.
Resolution3.09 Å
Binding residue
(original residue number in PDB)		E392 D400 D402 N404 I406 D409
Binding residue
(residue number reindexed from 1)		E207 D215 D217 N219 I221 D224
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.62: subtilisin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8pol, PDBe:8pol, PDBj:8pol
PDBsum8pol
PubMed38386597
UniProtQ8I0V0|SUB1_PLAF7 Subtilisin-like protease 1 (Gene Name=SUB1)

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