SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IM2'


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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.48A 1ghmA-3upnA:
16.7		 1ghmA-3upnA:
21.34
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.29A 1ghmA-5f83A:
35.6		 1ghmA-5f83A:
28.83
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.42A 1i2wA-3upnA:
17.2		 1i2wA-3upnA:
21.77
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-2.5A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.33A 1i2wA-5f83A:
37.7		 1i2wA-5f83A:
35.00
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
THR A 211
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-2.5A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.32A 1i2wB-5f83A:
37.8		 1i2wB-5f83A:
35.00
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 9 MET A 164
GLY A 128
GLU A 163
SER A 100
ASP A 126
 IM2  A 301 ( 4.6A)
None
None
None
None
 1.49A 1pk9B-5f83A:
undetectable		 1pk9B-5f83A:
23.39
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 10 MET A 164
GLY A 128
GLU A 163
SER A 100
ASP A 126
 IM2  A 301 ( 4.6A)
None
None
None
None
 1.49A 1pw7A-5f83A:
undetectable		 1pw7A-5f83A:
23.05
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_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.58A 1ymxA-3upnA:
18.0		 1ymxA-3upnA:
23.79
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-2.5A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.59A 1ymxA-5f83A:
39.6		 1ymxA-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
THR A 211
LYS A 229
GLY A 231
ASP A 166
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
None
 1.16A 1ymxA-5f83A:
39.6		 1ymxA-5f83A:
37.64
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.52A 1ymxB-3upnA:
18.2		 1ymxB-3upnA:
23.79
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
LYS A 229
GLY A 231
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-2.5A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.57A 1ymxB-5f83A:
39.4		 1ymxB-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
LYS A 229
ASP A 166
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
None
 0.80A 1ymxB-5f83A:
39.4		 1ymxB-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		4 / 5 CYH A 233
PRO A 260
THR A 215
THR A 230
 None
None
None
IM2  A 301 (-3.6A)
 1.42A 1ymxB-5f83A:
39.4		 1ymxB-5f83A:
37.64
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.55A 3hlwA-3upnA:
18.1		 3hlwA-3upnA:
23.57
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 LYS A  67
SER A 125
ASN A 127
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.29A 3hlwA-5f83A:
39.3		 3hlwA-5f83A:
37.27
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A 125
ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
 IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
 0.23A 3hlwB-5f83A:
39.3		 3hlwB-5f83A:
37.27
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 225
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.58A 3huoA-3upnA:
18.1		 3huoA-3upnA:
23.57
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 LYS A  67
ASN A 127
LYS A 229
THR A 230
GLY A 231
 IM2  A 301 ( 3.9A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
 0.19A 3huoA-5f83A:
39.4		 3huoA-5f83A:
37.27
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 342
LEU A 344
GLY A 338
GLY A 221
TRP A 442
 None
None
None
IM2  A 800 (-4.0A)
None
 1.12A 3ls4H-3upnA:
undetectable		 3ls4H-3upnA:
19.19
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
GLY A 262
ASN A 283
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
None
IM2  A 800 (-3.3A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.82A 3mzeA-3upnA:
6.0		 3mzeA-3upnA:
21.26
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
LYS A  67
ASN A 127
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.93A 3mzeA-5f83A:
22.4		 3mzeA-5f83A:
24.42
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.50A 3ny4A-5f83A:
37.8		 3ny4A-5f83A:
37.45
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
GLY A 237
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
None
 1.31A 3ny4A-5f83A:
37.8		 3ny4A-5f83A:
37.45
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.46A 3q07A-3upnA:
18.1		 3q07A-3upnA:
23.57
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ASP A 166
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
None
 1.12A 3q07A-5f83A:
39.4		 3q07A-5f83A:
37.27
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.65A 3q07B-3upnA:
18.1		 3q07B-3upnA:
23.57
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ASP A 166
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
None
 1.13A 3q07B-5f83A:
37.0		 3q07B-5f83A:
37.27
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.54A 3sh8A-3upnA:
17.6		 3sh8A-3upnA:
21.24
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.28A 3sh8A-5f83A:
36.7		 3sh8A-5f83A:
34.31
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.50A 3sh8B-3upnA:
17.6		 3sh8B-3upnA:
21.24
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.32A 3sh8B-5f83A:
36.1		 3sh8B-5f83A:
34.31
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 9 MET A 164
GLY A 128
GLU A 163
SER A 100
ASP A 126
 IM2  A 301 ( 4.6A)
None
None
None
None
 1.49A 4da6A-5f83A:
undetectable		 4da6A-5f83A:
19.50
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 LYS A 225
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.69A 4euzA-3upnA:
17.5		 4euzA-3upnA:
23.90
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 LYS A  67
SER A 125
ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.44A 4euzA-5f83A:
39.4		 4euzA-5f83A:
40.14
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 10 SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.54A 4fh2A-3upnA:
17.9		 4fh2A-3upnA:
23.93
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 10 SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.48A 4fh2A-5f83A:
37.5		 4fh2A-5f83A:
36.00
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.
4MM5_A_SREA603_1
(TRANSPORTER)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 9 PRO A  69
ALA A  71
GLY A  63
PHE A  66
SER A 125
 None
None
IM2  A 301 ( 3.9A)
None
IM2  A 301 (-2.7A)
 1.32A 4mm5A-5f83A:
undetectable		 4mm5A-5f83A:
20.15
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.
4MMB_A_SREA603_1
(TRANSPORTER)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 9 PRO A  69
ALA A  71
GLY A  63
PHE A  66
SER A 125
 None
None
IM2  A 301 ( 3.9A)
None
IM2  A 301 (-2.7A)
 1.29A 4mmbA-5f83A:
0.4		 4mmbA-5f83A:
20.08
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.51A 4n9kA-3upnA:
17.6		 4n9kA-3upnA:
22.15
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.24A 4n9kA-5f83A:
38.4		 4n9kA-5f83A:
34.18
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.55A 4n9kB-3upnA:
17.5		 4n9kB-3upnA:
22.15
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.26A 4n9kB-5f83A:
38.3		 4n9kB-5f83A:
34.18
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
 IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
 0.21A 4pm5A-5f83A:
39.4		 4pm5A-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 LYS A  67
ASN A 127
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 ( 3.9A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.30A 4pm7A-5f83A:
39.4		 4pm7A-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.74A 4pm7A-5f83A:
39.4		 4pm7A-5f83A:
37.64
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
 IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
 0.22A 4pm9A-5f83A:
39.5		 4pm9A-5f83A:
38.01
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
SER A 125
ASN A 127
LYS A 229
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.29A 5ghyA-5f83A:
37.9		 5ghyA-5f83A:
34.18
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
SER A 125
ASN A 127
LYS A 229
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.27A 5ghyB-5f83A:
38.0		 5ghyB-5f83A:
34.18
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 11 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.53A 5ghzA-3upnA:
17.4		 5ghzA-3upnA:
21.46
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 11 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.26A 5ghzA-5f83A:
38.0		 5ghzA-5f83A:
34.18
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 10 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.54A 5ghzB-3upnA:
17.4		 5ghzB-3upnA:
21.46
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 10 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.27A 5ghzB-5f83A:
38.0		 5ghzB-5f83A:
34.18
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 338
ILE A 337
THR A 427
ASN A 283
LEU A 258
 None
None
IM2  A 800 (-4.0A)
IM2  A 800 (-3.3A)
None
 1.41A 5nz0A-3upnA:
undetectable		 5nz0A-3upnA:
19.52
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 SER A 281
ASN A 283
GLN A 339
GLY A 426
THR A 427
 IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
None
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.94A 5oj0A-3upnA:
31.3		 5oj0A-3upnA:
22.21
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 TRP A  99
SER A 125
THR A 211
GLY A 231
THR A 232
 IM2  A 301 ( 4.0A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 1.23A 5oj0A-5f83A:
6.9		 5oj0A-5f83A:
18.44
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.
5WM2_A_ACTA605_0
(SALICYLATE-AMP
LIGASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		3 / 3 THR A 211
THR A 230
ARG A 238
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.5A)
 1.00A 5wm2A-5f83A:
undetectable		 5wm2A-5f83A:
20.14
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)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.94A 6b5yB-3upnA:
8.0		 6b5yB-3upnA:
14.12
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.39A 6b5yB-5f83A:
38.3		 6b5yB-5f83A:
15.99
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.46A 6b5yD-5f83A:
38.2		 6b5yD-5f83A:
15.99
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
GLY A 237
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
None
 1.33A 6b5yD-5f83A:
38.2		 6b5yD-5f83A:
15.99
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.89A 6b68B-3upnA:
17.4		 6b68B-3upnA:
14.12
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_B_9F2B301_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.33A 6b68B-5f83A:
38.5		 6b68B-5f83A:
15.99
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
GLY A 237
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
None
 1.40A 6b68B-5f83A:
38.5		 6b68B-5f83A:
15.99
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.40A 6b68D-5f83A:
38.3		 6b68D-5f83A:
15.99
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.88A 6b69A-3upnA:
17.3
6b69B-3upnA:
17.1		 6b69A-3upnA:
14.12
6b69B-3upnA:
14.12
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		8 / 12 SER A  64
SER A 125
PRO A 162
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
None
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.47A 6b69A-5f83A:
38.4
6b69B-5f83A:
38.4		 6b69A-5f83A:
15.99
6b69B-5f83A:
15.99
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
GLY A 237
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
None
 1.40A 6b69A-5f83A:
38.4
6b69B-5f83A:
38.4		 6b69A-5f83A:
15.99
6b69B-5f83A:
15.99
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.87A 6b69D-3upnA:
8.0		 6b69D-3upnA:
14.12
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.33A 6b69D-5f83A:
38.3		 6b69D-5f83A:
15.99
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.37A 6b6aB-5f83A:
38.4		 6b6aB-5f83A:
15.99
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.88A 6b6aD-3upnA:
16.5		 6b6aD-3upnA:
14.12
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  64
SER A 125
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.28A 6b6aD-5f83A:
38.3		 6b6aD-5f83A:
15.99
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
PRO A 162
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
None
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.63A 6b6cA-5f83A:
38.3		 6b6cA-5f83A:
15.99
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.59A 6b6dA-5f83A:
38.0		 6b6dA-5f83A:
15.99
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 0.89A 6b6eA-3upnA:
17.3		 6b6eA-3upnA:
14.12
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.34A 6b6eA-5f83A:
38.2		 6b6eA-5f83A:
15.99
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 12 THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
GLY A 237
 IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
None
 1.39A 6b6eA-5f83A:
38.2		 6b6eA-5f83A:
15.99
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		6 / 12 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 1.01A 6b6fA-3upnA:
17.3		 6b6fA-3upnA:
14.12
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)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  64
SER A 125
PRO A 162
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
None
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.72A 6b6fA-5f83A:
37.9		 6b6fA-5f83A:
15.99
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 5f83 BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 SER A 125
ASN A 127
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.13A 6c79A-5f83A:
39.0		 6c79A-5f83A:
14.79