Structure of PDB 8pol Chain B Binding Site BS04

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 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D337 D381 I439 N442 I444 V446
Binding residue
(residue number reindexed from 1)		D152 D196 I254 N257 I259 V261
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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