Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23036 Target Info
Target Name Staphylococcus Enoyl ACP reductase (Stap-coc fabI)
Synonyms NADPHdependent enoylACP reductase; Enoyl[acylcarrierprotein] reductase [NADPH] FabI
Target Type Clinical trial Target
Gene Name Stap-coc fabI
Biochemical Class Short-chain dehydrogenases reductase
UniProt ID
FABI_STAA8
Drug Binding Sites of Target  Top
Ligand Name: NADP+ Ligand Info
Structure Description Crystal structure of S. aureus FabI inhibited by SKTS1 PDB:6YUR
Method X-ray diffraction Resolution 1.96 Å Mutation No [1]
PDB Sequence
VNLENKTYVI
11
MGIANKRSIA
21
FGVAKVLDQL
31
GAKLVFTYRK
41
ERSRKELEKL
51

LEQLNQPEAH
61
LYQIDVQSDE
71
EVINGFEQIG
81
KDVGNIDGVY
91
HSIAFANMED
101

LRGRFSETSR
111
EGFLLAQDIS
121
SYSLTIVAHE
131
AKKLMPEGGS
141
IVATTYLGGE
151

FAVQNYNVMG
161
VAKASLEANV
171
KYLALDLGPD
181
NIRVNAISAG
191
PIRTLSAKGV
201

GGFNTILKEI
211
EERAPLKRNV
221
DQVEVGKTAA
231
YLLSDLSSGV
241
TGENIHVDSG
251

FHAIK
Residue
Distance (Å)
GLY13
2.816
ILE14
3.544
ALA15
3.470
ASN16
4.723
ARG18
4.727
SER19
2.208
ILE20
2.983
ALA21
4.671
TYR39
4.420
ARG40
2.901
LYS41
2.850
SER44
2.754
ILE65
3.347
ASP66
2.987
VAL67
3.169
GLN68
3.954
SER93
3.012
ILE94
3.377
Residue
Distance (Å)
ALA95
3.362
PHE96
4.070
ILE120
3.562
THR145
3.263
THR146
3.090
TYR147
3.450
TYR157
4.354
LYS164
2.655
ALA190
3.304
GLY191
3.561
PRO192
3.344
ILE193
2.965
THR195
2.703
LEU196
4.052
SER197
2.252
ALA198
4.647
PHE204
3.859
Ligand Name: 6-[4-(4-Hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol Ligand Info
Structure Description Crystal structure of S. aureus FabI inhibited by SKTS1 PDB:6YUR
Method X-ray diffraction Resolution 1.96 Å Mutation No [1]
PDB Sequence
VNLENKTYVI
11
MGIANKRSIA
21
FGVAKVLDQL
31
GAKLVFTYRK
41
ERSRKELEKL
51

LEQLNQPEAH
61
LYQIDVQSDE
71
EVINGFEQIG
81
KDVGNIDGVY
91
HSIAFANMED
101

LRGRFSETSR
111
EGFLLAQDIS
121
SYSLTIVAHE
131
AKKLMPEGGS
141
IVATTYLGGE
151

FAVQNYNVMG
161
VAKASLEANV
171
KYLALDLGPD
181
NIRVNAISAG
191
PIRTLSAKGV
201

GGFNTILKEI
211
EERAPLKRNV
221
DQVEVGKTAA
231
YLLSDLSSGV
241
TGENIHVDSG
251

FHAIK
Residue
Distance (Å)
ALA95
3.570
PHE96
3.508
ALA97
2.744
ASN98
4.517
MET99
3.648
LEU102
3.688
TYR147
3.681
VAL154
4.142
GLN155
3.163
ASN156
4.067
TYR157
2.484
MET160
3.792
Residue
Distance (Å)
LYS164
3.719
PRO192
4.123
THR195
4.667
LEU196
4.534
SER197
3.107
ALA198
3.859
GLY200
4.071
VAL201
3.686
GLY202
3.661
GLY203
4.693
PHE204
3.788
ILE207
3.878
References  Top
REF 1 A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. ACS Infect Dis. 2021 Apr 9;7(4):746-758.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.