SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1n9b'

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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.66A 1ghmA-1n9bA:
32.4		 1ghmA-1n9bA:
29.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
ALA A 237
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.65A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 5 TYR A 105
LEU A 169
THR A 235
ARG A 244
 EPE  A 400 (-3.6A)
None
EPE  A 400 (-3.8A)
MA4  A 310 ( 3.8A)
 0.39A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.66A 1i2wB-1n9bA:
34.8		 1i2wB-1n9bA:
36.39
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 4 ILE A 260
LEU A 190
VAL A  74
ALA A 135
 None
 0.97A 1mz9A-1n9bA:
undetectable		 1mz9A-1n9bA:
11.57
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.
1O76_A_CAMA1420_0
(CYTOCHROME P450-CAM)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 10 THR A  71
LEU A 152
VAL A  75
VAL A 262
VAL A 247
 None
 1.42A 1o76A-1n9bA:
0.0		 1o76A-1n9bA:
23.97
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 12 ALA A 126
ILE A 127
VAL A  80
ALA A  79
LEU A 199
 None
 1.30A 1udtA-1n9bA:
undetectable		 1udtA-1n9bA:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ASP A 104
TYR A 105
GLU A 110
 None
EPE  A 400 (-3.6A)
None
 0.30A 1vm1A-1n9bA:
47.5		 1vm1A-1n9bA:
99.62
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.73A 1ymxA-1n9bA:
35.6		 1ymxA-1n9bA:
40.30
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.70A 1ymxB-1n9bA:
35.7		 1ymxB-1n9bA:
40.30
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.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 10 THR A  71
LEU A 152
VAL A  75
VAL A 262
VAL A 247
 None
 1.39A 2cp4A-1n9bA:
0.0		 2cp4A-1n9bA:
23.24
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.69A 2nmzA-1n9bA:
undetectable		 2nmzA-1n9bA:
17.94
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.
2NNK_A_ROCA401_2
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.59A 2nnkA-1n9bA:
undetectable		 2nnkA-1n9bA:
17.56
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 PRO A 107
SER A 109
GLU A 166
ALA A 135
 None
 0.88A 2v32A-1n9bA:
undetectable
2v32B-1n9bA:
undetectable		 2v32A-1n9bA:
23.24
2v32B-1n9bA:
23.24
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 PRO A 107
SER A 109
GLU A 166
ALA A 135
 None
 0.80A 2v32A-1n9bA:
undetectable
2v32B-1n9bA:
undetectable		 2v32A-1n9bA:
23.24
2v32B-1n9bA:
23.24
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 145
LEU A 162
LEU A 139
ALA A 135
PHE A  72
 None
 1.05A 2vcvD-1n9bA:
undetectable		 2vcvD-1n9bA:
22.70
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.
2VCV_E_ASDE1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 145
LEU A 162
LEU A 139
ALA A 135
PHE A  72
 None
 1.02A 2vcvE-1n9bA:
undetectable		 2vcvE-1n9bA:
22.70
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.
2VCV_H_ASDH1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 145
LEU A 162
LEU A 139
ALA A 135
PHE A  72
 None
 1.02A 2vcvH-1n9bA:
undetectable		 2vcvH-1n9bA:
22.70
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.
2VCV_I_ASDI1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 145
LEU A 162
LEU A 139
ALA A 135
PHE A  72
 None
 1.07A 2vcvI-1n9bA:
undetectable		 2vcvI-1n9bA:
22.70
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.64A 3hlwA-1n9bA:
35.6		 3hlwA-1n9bA:
39.93
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 3hlwB-1n9bA:
35.7		 3hlwB-1n9bA:
39.93
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.65A 3hlwB-1n9bA:
35.7		 3hlwB-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.38A 3huoA-1n9bA:
35.7		 3huoA-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.32A 3huoB-1n9bA:
35.9		 3huoB-1n9bA:
39.93
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.54A 3k4vA-1n9bA:
undetectable		 3k4vA-1n9bA:
17.49
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.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.54A 3k4vD-1n9bA:
undetectable		 3k4vD-1n9bA:
17.56
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.15A 3mzeA-1n9bA:
21.6		 3mzeA-1n9bA:
22.99
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.
3NDT_A_ROCA101_2
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.68A 3ndtA-1n9bA:
0.0		 3ndtA-1n9bA:
17.49
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.
3NDU_D_ROCD100_3
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.53A 3nduD-1n9bA:
undetectable		 3nduD-1n9bA:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.60A 3ny4A-1n9bA:
33.6		 3ny4A-1n9bA:
36.53
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.
3PWR_A_ROCA401_2
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.59A 3pwrA-1n9bA:
undetectable		 3pwrA-1n9bA:
17.18
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.54A 3q07A-1n9bA:
35.6		 3q07A-1n9bA:
39.93
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.55A 3q07B-1n9bA:
35.8		 3q07B-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.68A 3sh8A-1n9bA:
33.3		 3sh8A-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.62A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
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.
3TL9_A_ROCA401_2
(PROTEASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ARG A 266
VAL A 247
THR A  71
 None
 0.57A 3tl9A-1n9bA:
undetectable		 3tl9A-1n9bA:
17.49
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.
3WQW_A_GCSA502_1
(CHITINASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 5 TRP A 165
GLY A 143
ALA A 146
PHE A  72
 None
 1.14A 3wqwA-1n9bA:
0.0		 3wqwA-1n9bA:
18.34
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ILE A 282
GLY A 283
SER A 271
GLN A 277
 None
MA4  A 300 ( 3.9A)
None
None
 0.88A 4acbB-1n9bA:
undetectable
4acbC-1n9bA:
undetectable		 4acbB-1n9bA:
20.78
4acbC-1n9bA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 4euzA-1n9bA:
35.2		 4euzA-1n9bA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 10 TYR A 105
SER A 130
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-4.6A)
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.41A 4fh2A-1n9bA:
48.4		 4fh2A-1n9bA:
99.25
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 5 THR A 149
GLY A 147
VAL A 142
PRO A 145
 None
 1.18A 4grkA-1n9bA:
undetectable		 4grkA-1n9bA:
20.94
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.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 6 ARG A 161
ASP A 176
ASP A 163
ARG A 178
 None
 1.40A 4kcnA-1n9bA:
undetectable		 4kcnA-1n9bA:
20.09
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.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 6 ARG A 161
ASP A 176
ASP A 163
ARG A 178
 None
 1.38A 4kcnB-1n9bA:
undetectable		 4kcnB-1n9bA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 4n9kA-1n9bA:
34.9		 4n9kA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 4n9kB-1n9bA:
34.8		 4n9kB-1n9bA:
37.86
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 183
VAL A  44
ILE A 260
VAL A 247
ALA A 248
 None
None
None
None
MA4  A 300 (-3.4A)
 1.16A 4oqrA-1n9bA:
undetectable		 4oqrA-1n9bA:
21.08
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.42A 4pm5A-1n9bA:
35.6		 4pm5A-1n9bA:
39.93
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 None
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.43A 4pm7A-1n9bA:
35.6		 4pm7A-1n9bA:
40.30
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)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.47A 4pm9A-1n9bA:
35.6		 4pm9A-1n9bA:
40.30
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 PRO A 107
LEU A 122
SER A 130
 None
None
EPE  A 400 (-2.5A)
 0.78A 5fsaB-1n9bA:
0.0		 5fsaB-1n9bA:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.75A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.40A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.72A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.34A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 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
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 5ghzA-1n9bA:
34.9		 5ghzA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 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
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.72A 5ghzB-1n9bA:
34.8		 5ghzB-1n9bA:
37.86
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ARG A 259
GLU A  48
PRO A  29
GLY A 283
 None
None
None
MA4  A 300 ( 3.9A)
 1.08A 5kgpA-1n9bA:
undetectable		 5kgpA-1n9bA:
20.06
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ARG A 259
GLU A  48
PRO A  29
GLY A 283
 None
None
None
MA4  A 300 ( 3.9A)
 1.11A 5kgpB-1n9bA:
undetectable		 5kgpB-1n9bA:
20.06
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 7 THR A 149
PHE A  72
ASP A 179
LEU A 169
 None
 1.24A 5uxcA-1n9bA:
0.0		 5uxcA-1n9bA:
23.33
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 GLY A 283
VAL A  44
MET A  46
 MA4  A 300 ( 3.9A)
None
None
 0.65A 5ycpA-1n9bA:
0.0		 5ycpA-1n9bA:
15.47
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 6 LEU A 169
LYS A  73
LEU A  76
LEU A 139
 None
 1.00A 5yvnA-1n9bA:
undetectable		 5yvnA-1n9bA:
21.74
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.73A 6b68B-1n9bA:
34.1		 6b68B-1n9bA:
17.12
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.69A 6b68D-1n9bA:
34.1		 6b68D-1n9bA:
17.12
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.78A 6b69A-1n9bA:
33.9
6b69B-1n9bA:
34.1		 6b69A-1n9bA:
17.12
6b69B-1n9bA:
17.12
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.79A 6b69D-1n9bA:
34.0		 6b69D-1n9bA:
17.12
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.76A 6b6aB-1n9bA:
33.7		 6b6aB-1n9bA:
17.12
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.76A 6b6aD-1n9bA:
33.7		 6b6aD-1n9bA:
17.12
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.72A 6b6cA-1n9bA:
33.6		 6b6cA-1n9bA:
17.12
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.66A 6b6dA-1n9bA:
33.7		 6b6dA-1n9bA:
17.12
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.78A 6b6eA-1n9bA:
33.8		 6b6eA-1n9bA:
17.12
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.81A 6b6fA-1n9bA:
33.4		 6b6fA-1n9bA:
17.12
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.58A 6c79A-1n9bA:
35.4		 6c79A-1n9bA:
15.29