Structure of PDB 1be8 Chain A Binding Site BS01

Receptor Information

>1be8 Chain A (length=274) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASF
VAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGS
GSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVA
AAGNSGNSGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAP
GAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLS
STATYLGSSFYYGKGLINVEAAAQ

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

1be8 Chain A Residue 277 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1be8 Comparison of x-ray crystal structures of an acyl-enzyme intermediate of subtilisin Carlsberg formed in anhydrous acetonitrile and in water.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	Q2 D41 L75 N77 T79 V81
Binding residue (residue number reindexed from 1)	Q2 D41 L74 N76 T78 V80
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 H64 N155 S221
Catalytic site (residue number reindexed from 1)	D32 H63 N154 S220
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

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:1be8, PDBe:1be8, PDBj:1be8
PDBsum	1be8
PubMed	9789015
UniProt	P00780\|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)

[Back to BioLiP]