Structure of PDB 1bqb Chain A Binding Site BS03

Receptor Information

>1bqb Chain A (length=301) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AAATGTGKGVLGDTKDININSIDGGFSLEDLTHQGKLSAYNFNDQTGQAT
LITNEDENFVKDDQRAGVDANYYAKQTYDYYKNTFGRESYDNHGSPIVSL
THVNHYGGQDNRNNAAWIGDKMIYGDGDGRTFTNLSGANDVVAHEITHGV
TQQTANLEYKDQSGALNESFSDVFGYFVDDEDFLMGEDVYTPGKEGDALR
SMSNPEQFGQPSHMKDYVYTEKDNGGVHTNSGIPNKAAYNVIQAIGKSKS
EQIYYRALTEYLTSNSNFKDLKDALYQAAKDLYEQQTAEQVYEAWNEVGV
E

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

1bqb Chain A Residue 352 [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	1bqb Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 A resolution.
Resolution	1.72 Å
Binding residue (original residue number in PDB)	D179 E181 D182 E187
Binding residue (residue number reindexed from 1)	D179 E181 D182 E187
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H144 E145 H148 Y159 E168 D223 H228
Catalytic site (residue number reindexed from 1)	H144 E145 H148 Y159 E168 D223 H228
Enzyme Commision number	3.4.24.29: aureolysin.

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:1bqb, PDBe:1bqb, PDBj:1bqb
PDBsum	1bqb
PubMed	9753696
UniProt	P81177\|AURE_STAAU Zinc metalloproteinase aureolysin (Gene Name=aur)

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