Structure of PDB 7skl Chain C Binding Site BS04

Receptor Information
>7skl Chain C (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
THVNHYGGQDNRNNAAWIGDKMIYGDGDGRTFTNLSGANDVVAHELTHGV
TQETANLEYKDQSGALNESFSDVFGYFVDDEDFLMGEDVYTPGKEGDALR
SMSNPEQFGQPSHMKDYVYTEKDNGGVHTNSGIPNKAAYNVIQAIGKSKS
EQIYYRALTEYLTSNSNFKDCKDALYQAAKDLYDEQTAEQVYEAWNEVGV
E
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7skl Chain C Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7skl Structural evidence for standard-mechanism inhibition in metallopeptidases from a complex poised to resynthesize a peptide bond.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D348 D387 D390 L392 E395
Binding residue
(residue number reindexed from 1)		D140 D179 D182 L184 E187
Annotation score4
Enzymatic activity
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:7skl, PDBe:7skl, PDBj:7skl
PDBsum7skl
PubMed
UniProtP81177|AURE_STAAU Zinc metalloproteinase aureolysin (Gene Name=aur)

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