SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3GK'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.34A 1ghmA-6bu3A:
38.6		 1ghmA-6bu3A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.39A 1i2wA-6bu3A:
41.6		 1i2wA-6bu3A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		4 / 5 TYR A 105
PRO A 167
LEU A 169
THR A 235
 3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
None
3GK  A 301 (-3.7A)
 0.39A 1i2wA-6bu3A:
41.6		 1i2wA-6bu3A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 302 ( 4.3A)
3GK  A 301 (-3.4A)
 0.42A 1i2wB-6bu3A:
41.7		 1i2wB-6bu3A:
16.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		11 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.35A 1ymxA-6bu3A:
49.3		 1ymxA-6bu3A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_2
(BETA-LACTAMASE
CTX-M-9)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 5 CYH A  69
TYR A 105
PRO A 167
THR A 235
SER A 237
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 ( 2.7A)
 0.45A 1ymxA-6bu3A:
49.3		 1ymxA-6bu3A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		11 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.37A 1ymxB-6bu3A:
49.6		 1ymxB-6bu3A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 5 CYH A  69
TYR A 105
PRO A 167
THR A 216
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 302 ( 4.3A)
3GK  A 301 (-3.7A)
 0.20A 1ymxB-6bu3A:
49.6		 1ymxB-6bu3A:
98.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		4 / 8 ILE A 247
SER A 130
TYR A 264
SER A  72
 None
3GK  A 301 (-2.7A)
None
None
 0.93A 2zw9B-6bu3A:
undetectable		 2zw9B-6bu3A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		7 / 12 GLY A 236
ASN A 104
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 3GK  A 301 (-3.4A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.6A)
 1.40A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		11 / 12 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.33A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A303_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		4 / 4 ASN A 104
SER A 237
SER A 274
ARG A 276
 3GK  A 301 ( 3.2A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 0.58A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A303_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		4 / 4 ASN A 132
SER A 237
SER A 274
ARG A 276
 3GK  A 301 (-3.5A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 1.16A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		11 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.34A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		7 / 12 GLY A 236
ASN A 104
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 3GK  A 301 (-3.4A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.6A)
 1.42A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 5 ASN A 104
THR A 235
SER A 237
SER A 274
ARG A 276
 3GK  A 301 ( 3.2A)
3GK  A 301 (-3.7A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 0.55A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		4 / 5 ASN A 132
SER A 237
SER A 274
ARG A 276
 3GK  A 301 (-3.5A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 1.18A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.27A 3huoA-6bu3A:
49.4		 3huoA-6bu3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ARG A 276
 None
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
SO4  A 303 (-3.8A)
 0.29A 3huoB-6bu3A:
49.4		 3huoB-6bu3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_B_VIAB901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 11 ASN A 170
ALA A  79
LEU A 190
PHE A 160
THR A 180
 3GK  A 301 (-3.9A)
None
None
None
None
 1.43A 3jwqB-6bu3A:
undetectable
3jwqC-6bu3A:
undetectable		 3jwqB-6bu3A:
18.87
3jwqC-6bu3A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.52A 3ny4A-6bu3A:
40.8		 3ny4A-6bu3A:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 168
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.37A 3q07A-6bu3A:
49.3		 3q07A-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
 0.16A 3q07A-6bu3A:
49.3		 3q07A-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 168
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.38A 3q07B-6bu3A:
49.2		 3q07B-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
 0.20A 3q07B-6bu3A:
49.2		 3q07B-6bu3A:
97.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.33A 3sh8A-6bu3A:
40.3		 3sh8A-6bu3A:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		7 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.30A 3sh8B-6bu3A:
40.1		 3sh8B-6bu3A:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 4.0A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.48A 4euzA-6bu3A:
42.6		 4euzA-6bu3A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		6 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.38A 4fh2A-6bu3A:
36.4		 4fh2A-6bu3A:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 SER A  70
ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.34A 4n9kA-6bu3A:
42.0		 4n9kA-6bu3A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.39A 4n9kB-6bu3A:
41.9		 4n9kB-6bu3A:
16.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		11 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.46A 4pm5A-6bu3A:
48.6		 4pm5A-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.46A 4pm7A-6bu3A:
48.6		 4pm7A-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.45A 4pm9A-6bu3A:
48.9		 4pm9A-6bu3A:
97.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.44A 5ghyA-6bu3A:
41.7		 5ghyA-6bu3A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.44A 5ghyB-6bu3A:
41.7		 5ghyB-6bu3A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 11 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.38A 5ghzA-6bu3A:
41.9		 5ghzA-6bu3A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 10 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.36A 5ghzB-6bu3A:
41.8		 5ghzB-6bu3A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 12 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 3GK  A 302 ( 4.9A)
None
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
None
 1.26A 5l5zV-6bu3A:
undetectable
5l5zb-6bu3A:
undetectable		 5l5zV-6bu3A:
23.08
5l5zb-6bu3A:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 12 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 3GK  A 302 ( 4.9A)
None
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
None
 1.26A 5l5zH-6bu3A:
undetectable
5l5zN-6bu3A:
undetectable		 5l5zH-6bu3A:
23.08
5l5zN-6bu3A:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_B_BO2B305_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 12 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 3GK  A 302 ( 4.9A)
None
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
None
 1.25A 5lf3b-6bu3A:
undetectable		 5lf3b-6bu3A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		5 / 12 THR A 244
THR A 266
SER A 237
GLY A 238
ALA A 172
 3GK  A 302 ( 4.9A)
None
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
None
 1.25A 5lf3N-6bu3A:
undetectable		 5lf3N-6bu3A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.47A 6b5yB-6bu3A:
41.4		 6b5yB-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.48A 6b5yD-6bu3A:
41.4		 6b5yD-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.40A 6b68B-6bu3A:
41.5		 6b68B-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		7 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.47A 6b68D-6bu3A:
41.4		 6b68D-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.37A 6b69A-6bu3A:
41.4
6b69B-6bu3A:
41.3		 6b69A-6bu3A:
33.75
6b69B-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.39A 6b69D-6bu3A:
41.3		 6b69D-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.42A 6b6aB-6bu3A:
41.5		 6b6aB-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		7 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.32A 6b6aD-6bu3A:
41.5		 6b6aD-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.45A 6b6cA-6bu3A:
41.4		 6b6cA-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 CYH A  69
SER A  70
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.42A 6b6dA-6bu3A:
41.0		 6b6dA-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 CYH A  69
SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.56A 6b6dA-6bu3A:
41.0		 6b6dA-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.40A 6b6eA-6bu3A:
41.2		 6b6eA-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		9 / 12 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.49A 6b6fA-6bu3A:
41.1		 6b6fA-6bu3A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 6bu3 BETA-LACTAMASE
(Escherichia
coli) 		10 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.31A 6c79A-6bu3A:
47.4		 6c79A-6bu3A:
80.00