Structure of PDB 1mpt Chain A Binding Site BS01

Receptor Information
>1mpt Chain A (length=269) Species: 66692 (Shouchella clausii KSM-K16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFV
PGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSG
SVSSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAA
SGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQ
STYPGSTYASLNGTSMATPHVAGVAALVKQKNPSWSNVQIRNHLKNTATG
LGNTNLYGSGLVNAEAATR
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 chain1mpt Chain A Residue 276 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mpt Structure of a new alkaline serine protease (M-protease) from Bacillus sp. KSM-K16.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q2 D41 L75 N77 I79 V81
Binding residue
(residue number reindexed from 1)		Q2 D40 L73 N75 I77 V79
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D32 H64 N155 S221
Catalytic site (residue number reindexed from 1) D32 H62 N153 S215
Enzyme Commision number 3.4.21.-
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:1mpt, PDBe:1mpt, PDBj:1mpt
PDBsum1mpt
PubMed15299321
UniProtQ99405|PRTM_SHOC1 M-protease (Gene Name=aprE)

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