Structure of PDB 1npc Chain A Binding Site BS01

Receptor Information

>1npc Chain A (length=317) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VTGTNKVGTGKGVLGDTKSLNTTLSGSSYYLQDNTRGATIFTYDAKNRST
LPGTLWADADNVFNAAYDAAAVDAHYYAGKTYDYYKATFNRNSINDAGAP
LKSTVHYGSNYNNAFWNGSQMVYGDGDGVTFTSLSGGIDVIGHELTHAVT
ENSSNLIYQNESGALNEAISDIFGTLVEFYDNRNPDWEIGEDIYTPGKAG
DALRSMSDPTKYGDPDHYSKRYTGSSDNGGVHTNSGIINKQAYLLANGGT
HYGVTVTGIGKDKLGAIYYRANTQYFTQSTTFSQARAGAVQAAADLYGAN
SAEVAAVKQSFSAVGVN

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

1npc Chain A Residue 319 [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	1npc The structure of neutral protease from Bacillus cereus at 0.2-nm resolution.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D139 E178 D186 E188 E191
Binding residue (residue number reindexed from 1)	D139 E178 D186 E188 E191
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H143 E144 H147 Y158 E167 D227 H232
Catalytic site (residue number reindexed from 1)	H143 E144 H147 Y158 E167 D227 H232
Enzyme Commision number	3.4.24.28: bacillolysin.

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:1npc, PDBe:1npc, PDBj:1npc
PDBsum	1npc
PubMed	1633827
UniProt	P05806\|NPRE_BACCE Bacillolysin (Gene Name=npr)

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