Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T04321 Target Info
Target Name Staphylococcus Alpha-hemolysin (Stap-coc hly)
Synonyms hla; Alpha-toxin; Alpha-hemolysin; Alpha-HL
Target Type Clinical trial Target
Gene Name Stap-coc hly
Biochemical Class Alpha-hemolysin channel-forming toxin
UniProt ID
HLA_STAAU
Drug Binding Sites of Target  Top
Ligand Name: O-(Tetradecyloxyphosphonyl)choline Ligand Info
Structure Description Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus PDB:6U49
Method X-ray diffraction Resolution 2.35 Å Mutation No [1]
PDB Sequence
ADSDINIKTG
10
TTDIGSNTTV
20
KTGDLVTYDK
30
ENGMHKKVFY
40
SFIDDKNHNK
50

KLLVIRTKGT
60
IAGQYRVYSE
70
EGANKSGLAW
80
PSAFKVQLQL
90
PDNEVAQISD
100

YYPRNSIDTK
110
EYMSTLTYGF
120
NGNVTGDDTG
130
KIGGLIGANV
140
SIGHTLKYVQ
150

PDFKTILESP
160
TDKKVGWKVI
170
FNNMVNQNWG
180
PYDRDSWNPV
190
YGNQLFMKTR
200

NGSMKAADNF
210
LDPNKASSLL
220
SSGFSPDFAT
230
VITMDRKASK
240
QQTNIDVIYE
250

RVRDDYQLHW
260
TSTNWKGTNT
270
KDKWTDRSSE
280
RYKIDWEKEE
290
MTN
Residue
Distance (Å)
TYR112
3.843
SER114
3.320
ILE142
4.008
GLY143
3.710
HIS144
2.775
ASN176
3.457
GLN177
3.528
TRP179
3.284
GLY180
2.840
Residue
Distance (Å)
PRO181
3.312
TYR182
2.694
SER186
4.591
GLN194
3.476
MET197
3.361
LYS198
3.941
THR199
4.213
ARG200
3.695
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Structure-based discovery of a small-molecule inhibitor of methicillin-resistant Staphylococcus aureus virulence. J Biol Chem. 2020 May 1;295(18):5944-5959.

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