Structure of PDB 6dwq Chain A Binding Site BS02

Receptor Information

>6dwq 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

6dwq Chain A Residue 316 [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	6dwq Paired Spectroscopic and Crystallographic Studies of Protease Active Sites
Resolution	1.27 Å
Binding residue (original residue number in PDB)	L125 A151 G165 Y166 P167 A168
Binding residue (residue number reindexed from 1)	L125 A151 G165 Y166 P167 A168
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 H63 N154 S220
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

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Molecular Function

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Biological Process

External links

PDB	RCSB:6dwq, PDBe:6dwq, PDBj:6dwq
PDBsum	6dwq
PubMed
UniProt	P00780\|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)

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