Structure of PDB 1bqb Chain A Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1bqb Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1bqb Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 A resolution.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		H144 H148 E168
Binding residue
(residue number reindexed from 1)		H144 H148 E168
Annotation score4
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
PDBsum1bqb
PubMed9753696
UniProtP81177|AURE_STAAU Zinc metalloproteinase aureolysin (Gene Name=aur)

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