SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1e25'

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.
1EQB_A_FFOA1293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
3 / 3 SER A  35
GLU A  34
GLU A  31
None
0.60A 1eqbD-1e25A:
0.0
1eqbD-1e25A:
21.50
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.
1EQB_C_FFOC3293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
3 / 3 SER A  35
GLU A  34
GLU A  31
None
0.61A 1eqbB-1e25A:
0.0
1eqbB-1e25A:
21.50
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.26A 1ghmA-1e25A:
29.9
1ghmA-1e25A:
25.60
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 11 ALA A 106
VAL A  97
TYR A 125
LEU A 122
GLN A 121
None
1.30A 1hbpA-1e25A:
undetectable
1hbpA-1e25A:
19.08
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.38A 1i2wA-1e25A:
31.1
1i2wA-1e25A:
29.00
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.5A)
0.39A 1i2wB-1e25A:
31.2
1i2wB-1e25A:
29.00
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.5A)
SO4  A 500 ( 4.2A)
1.05A 1i2wB-1e25A:
31.2
1i2wB-1e25A:
29.00
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.50A 1ymxA-1e25A:
32.9
1ymxA-1e25A:
29.05
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.41A 1ymxB-1e25A:
32.8
1ymxB-1e25A:
29.05
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.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 8 GLY A 144
GLY A 143
ALA A 146
ALA A 147
None
0.60A 2ha4A-1e25A:
undetectable
2ha4A-1e25A:
19.45
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 7 GLY A 144
GLY A 143
ALA A 146
ALA A 147
None
0.61A 2ha4B-1e25A:
undetectable
2ha4B-1e25A:
19.45
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.38A 3hlwA-1e25A:
33.0
3hlwA-1e25A:
28.72
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.33A 3hlwB-1e25A:
32.9
3hlwB-1e25A:
28.72
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 LYS A  73
ASN A 132
LYS A 234
THR A 235
GLY A 236
None
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.28A 3huoA-1e25A:
33.0
3huoA-1e25A:
28.72
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.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 VAL A 263
ASP A 246
ARG A 273
GLY A 223
LEU A 224
None
1.08A 3j6pB-1e25A:
undetectable
3j6pB-1e25A:
20.38
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
SO4  A 500 (-3.1A)
None
None
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 ( 4.2A)
0.74A 3mzeA-1e25A:
20.4
3mzeA-1e25A:
23.06
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.41A 3ny4A-1e25A:
30.9
3ny4A-1e25A:
26.55
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_SMXA309_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 5 ILE A 240
ARG A 220
THR A 244
GLU A 276
None
SO4  A 500 ( 4.2A)
None
None
1.27A 3ny4A-1e25A:
30.9
3ny4A-1e25A:
26.55
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.36A 3q07A-1e25A:
32.8
3q07A-1e25A:
28.72
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.41A 3q07B-1e25A:
30.4
3q07B-1e25A:
28.72
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.28A 3sh8A-1e25A:
30.9
3sh8A-1e25A:
26.30
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.33A 3sh8B-1e25A:
30.8
3sh8B-1e25A:
26.30
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.36A 4euzA-1e25A:
32.0
4euzA-1e25A:
28.62
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 GLY A 185
MET A  68
GLU A 188
ILE A 189
GLN A 153
None
1.25A 4fglA-1e25A:
undetectable
4fglB-1e25A:
undetectable
4fglA-1e25A:
21.67
4fglB-1e25A:
21.67
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 11 GLN A 153
ILE A 152
GLY A 185
MET A  68
GLU A 188
None
1.35A 4fglA-1e25A:
undetectable
4fglB-1e25A:
undetectable
4fglA-1e25A:
21.67
4fglB-1e25A:
21.67
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 6 GLY A 185
MET A  68
GLU A 188
ILE A 189
None
0.96A 4fglD-1e25A:
undetectable
4fglD-1e25A:
21.67
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 10 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.47A 4fh2A-1e25A:
30.5
4fh2A-1e25A:
29.31
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 4 LEU A 207
LEU A  91
GLN A 198
GLU A 201
None
1.21A 4i41A-1e25A:
0.0
4i41A-1e25A:
23.29
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.29A 4n9kA-1e25A:
31.2
4n9kA-1e25A:
26.87
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.31A 4n9kB-1e25A:
31.1
4n9kB-1e25A:
26.87
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.63A 4pm5A-1e25A:
32.5
4pm5A-1e25A:
29.05
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.65A 4pm7A-1e25A:
32.5
4pm7A-1e25A:
29.05
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.60A 4pm9A-1e25A:
32.7
4pm9A-1e25A:
28.77
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)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.33A 5ghyB-1e25A:
31.1
5ghyB-1e25A:
26.87
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 11 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.31A 5ghzA-1e25A:
31.2
5ghzA-1e25A:
26.87
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 10 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
0.30A 5ghzB-1e25A:
31.3
5ghzB-1e25A:
26.87
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 TRP A 105
SER A 130
ASN A 132
THR A 216
GLY A 236
None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.5A)
1.30A 5oj0A-1e25A:
8.7
5oj0A-1e25A:
17.66
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
4 / 8 VAL A 263
ASP A 246
GLY A 223
LEU A 224
None
0.92A 5w3jB-1e25A:
undetectable
5w3jB-1e25A:
19.87
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.35A 6b5yB-1e25A:
31.4
6b5yB-1e25A:
11.35
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLU A 276
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
None
0.59A 6b5yD-1e25A:
31.3
6b5yD-1e25A:
11.35
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.16A 6b68B-1e25A:
31.5
6b68B-1e25A:
11.35
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
GLY A 236
THR A 237
GLU A 276
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
None
0.45A 6b68D-1e25A:
31.4
6b68D-1e25A:
11.35
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.25A 6b69A-1e25A:
31.1
6b69B-1e25A:
31.5
6b69A-1e25A:
11.35
6b69B-1e25A:
11.35
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
9 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLU A 276
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
None
0.45A 6b69D-1e25A:
21.0
6b69D-1e25A:
11.35
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.24A 6b6aB-1e25A:
31.1
6b6aB-1e25A:
11.35
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLU A 276
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
None
0.46A 6b6aD-1e25A:
31.0
6b6aD-1e25A:
11.35
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
SER A 130
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.29A 6b6cA-1e25A:
31.0
6b6cA-1e25A:
11.35
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.51A 6b6dA-1e25A:
31.1
6b6dA-1e25A:
11.35
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
8 / 12 SER A  70
SER A 130
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.0A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.30A 6b6eA-1e25A:
31.1
6b6eA-1e25A:
11.35
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
6 / 12 SER A  70
SER A 130
LYS A 234
THR A 235
GLY A 236
THR A 237
SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
0.42A 6b6fA-1e25A:
30.9
6b6fA-1e25A:
11.35
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa)
5 / 12 SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
0.28A 6c79A-1e25A:
32.7
6c79A-1e25A:
11.39