Structure of PDB 4ow3 Chain A Binding Site BS03

Receptor Information

>4ow3 Chain A (length=314) Species: 1427 (Bacillus thermoproteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANPDWEIGEDVYTPGISGDSL
RSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYG
VSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQE
VASVKQAFDAVGVK

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

4ow3 Chain A Residue 403 [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	4ow3 Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D57 D59 Q61
Binding residue (residue number reindexed from 1)	D57 D59 Q61
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H142 E143 H146 Y157 E166 D226 H231
Catalytic site (residue number reindexed from 1)	H142 E143 H146 Y157 E166 D224 H229
Enzyme Commision number	3.4.24.27: thermolysin.

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:4ow3, PDBe:4ow3, PDBj:4ow3
PDBsum	4ow3
PubMed	24633409
UniProt	P00800\|THER_BACTH Thermolysin (Gene Name=npr)

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