Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T89573 Target Info
Target Name Staphylococcus Sortase A (Stap-coc srtA)
Synonyms Surface protein sorting A
Target Type Preclinical Target
Gene Name Stap-coc srtA
UniProt ID
SRTA_STAA8
Drug Binding Sites of Target  Top
Ligand Name: 3-Hydroxy-6-(hydroxymethyl)-2-(thiophen-3-ylmethyl)pyran-4-one Ligand Info
Structure Description Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug PDB:6R1V
Method Solution NMR Resolution N.A. Mutation No [1]
PDB Sequence
MQAKPQIPKD
10
KSKVAGYIEI
20
PDADIKEPVY
30
PGPATPEQLN
40
RGVSFAEENE
50

SLDDQNISIA
60
GHTFIDRPNY
70
QFTNLKAAKK
80
GSMVYFKVGN
90
ETRKYKMTSI
100

RDVKPTDVEV
110
LDEQKGKDKQ
120
LTLITCDDYN
130
EKTGVWEKRK
140
IFVATEVK
Residue
Distance (Å)
ALA34
3.831
LEU39
2.412
ALA46
3.438
ILE59
4.752
ALA60
2.517
GLY61
2.998
HIS62
2.603
THR63
4.343
Residue
Distance (Å)
PRO105
3.167
ILE124
2.291
THR125
4.924
CYS126
1.780
VAL135
4.571
TRP136
2.208
ARG139
1.538
References  Top
REF 1 Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization. ACS Infect Dis. 2020 Feb 14;6(2):186-194.

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