Structure of PDB 1wsd Chain A Binding Site BS01

Receptor Information

>1wsd 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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

1wsd 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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Structure summary

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PDB	1wsd High-resolution crystal structure of M-protease: phylogeny aided analysis of the high-alkaline adaptation mechanism
Resolution	1.5 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 score	4

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:1wsd, PDBe:1wsd, PDBj:1wsd
PDBsum	1wsd
PubMed	9278275
UniProt	Q99405\|PRTM_SHOC1 M-protease (Gene Name=aprE)

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