Structure of PDB 1scj Chain A Binding Site BS01

Receptor Information

>1scj Chain A (length=275) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQSVPYGISQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLNVRGGASF
VPSETNPYQDGSSHGTHVAGTIAALNNSIGVLGVSPSASLYAVKVLDSTG
SGQYSWIINGIEWAISNNMDVINMSLGGPTGSTALKTVVDKAVSSGIVVA
AAAGNEGSSGSTSTVGYPAKYPSTIAVGAVNSSNQRASFSSAGSELDVMA
PGVSIQSTLPGGTYGAYNGTCMATPHVAGAAALILSKHPTWTNAQVRDRL
ESTATYLGNSFYYGKGLINVQAAAQ

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

1scj Chain A Residue 381 [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	1scj The crystal structure of an autoprocessed Ser221Cys-subtilisin E-propeptide complex at 2.0 A resolution.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	Q2 D41 L75 N77 I79 V81
Binding residue (residue number reindexed from 1)	Q2 D41 L75 N77 I79 V81
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 H64 N155 C221
Catalytic site (residue number reindexed from 1)	D32 H64 N155 C221
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:1scj, PDBe:1scj, PDBj:1scj
PDBsum	1scj
PubMed	9811547
UniProt	P04189\|SUBT_BACSU Subtilisin E (Gene Name=aprE)

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