SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3upn'

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.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.98A 1fm6A-3upnA:
undetectable		 1fm6A-3upnA:
18.60
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.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.91A 1fm6U-3upnA:
undetectable		 1fm6U-3upnA:
18.60
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.
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.
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
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  81
ALA A  85
TYR A 181
ALA A  63
 None
 1.03A 1k5qA-3upnA:
undetectable
1k5qB-3upnA:
undetectable		 1k5qA-3upnA:
19.95
1k5qB-3upnA:
24.15
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 8 TYR A  91
GLU A  47
GLU A 101
ASP A 105
 None
 1.27A 1s3zA-3upnA:
undetectable
1s3zB-3upnA:
undetectable		 1s3zA-3upnA:
16.34
1s3zB-3upnA:
16.34
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 243
 None
 1.05A 1xdkE-3upnA:
undetectable		 1xdkE-3upnA:
18.39
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.96A 1xdkE-3upnA:
undetectable		 1xdkE-3upnA:
18.39
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.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.91A 1xiuA-3upnA:
undetectable		 1xiuA-3upnA:
19.06
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.
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
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
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.
2DR6_A_DM2A2002_1
(ACRB)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 9 GLN A 143
SER A 180
GLN A 151
GLY A 153
ILE A 478
 None
 1.34A 2dr6A-3upnA:
undetectable		 2dr6A-3upnA:
18.28
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 141
ILE A 416
ILE A 421
ALA A 445
ALA A 164
 None
 1.17A 2j0dA-3upnA:
undetectable		 2j0dA-3upnA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_1
(PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 11 GLY A  58
ALA A  57
ASP A 135
ILE A  55
VAL A  83
 None
 0.90A 3em4A-3upnA:
undetectable		 3em4A-3upnA:
12.61
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.98A 3h0aA-3upnA:
undetectable		 3h0aA-3upnA:
18.45
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)		 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
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
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.
3NDW_A_RITA100_2
(PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 9 ALA A 164
ILE A 483
GLY A 479
ILE A 478
ILE A 142
 None
 1.05A 3ndwB-3upnA:
undetectable		 3ndwB-3upnA:
11.73
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.93A 3oapA-3upnA:
undetectable		 3oapA-3upnA:
18.76
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
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
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
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
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 230
PHE A 305
ALA A 390
ALA A 396
 None
 0.77A 4du2A-3upnA:
undetectable		 4du2A-3upnA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 230
PHE A 305
ALA A 390
ALA A 396
 None
 0.78A 4du2B-3upnA:
undetectable		 4du2B-3upnA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 162
THR A 345
PRO A 346
ASN A 211
VAL A  87
 None
 1.42A 4eb6B-3upnA:
undetectable
4eb6C-3upnA:
undetectable		 4eb6B-3upnA:
25.24
4eb6C-3upnA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
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
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.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 391
LEU A 399
VAL A 226
PHE A 305
 None
 0.99A 4lb0B-3upnA:
undetectable		 4lb0B-3upnA:
23.84
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
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
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.
4NJT_D_017D101_1
(PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 164
ILE A 483
GLY A 479
ILE A 478
ILE A 142
 None
 0.91A 4njtC-3upnA:
undetectable		 4njtC-3upnA:
11.28
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.
4QGI_A_ROCA101_1
(PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 11 GLY A  58
ALA A  57
ASP A 135
ILE A  55
VAL A  83
 None
 0.98A 4qgiA-3upnA:
undetectable		 4qgiA-3upnA:
12.56
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.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 MET A 301
ALA A 230
LEU A 298
LEU A 344
LEU A 307
 None
 1.14A 4qzuC-3upnA:
undetectable		 4qzuC-3upnA:
13.64
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.
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
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
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		3 / 3 VAL A 454
ARG A 212
PRO A 346
 None
 0.86A 5koxA-3upnA:
undetectable		 5koxA-3upnA:
24.01
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 8 THR A 314
PRO A 365
GLY A 306
ARG A 388
 None
 0.98A 5nzyA-3upnA:
undetectable		 5nzyA-3upnA:
21.70
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.
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.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.95A 5uanA-3upnA:
undetectable		 5uanA-3upnA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 118
ARG A 119
ARG A 114
 None
 0.90A 5vcgA-3upnA:
undetectable		 5vcgA-3upnA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.93A 5z12B-3upnA:
undetectable		 5z12B-3upnA:
10.92
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 243
 None
 1.04A 5z12C-3upnA:
undetectable		 5z12C-3upnA:
10.92
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.97A 5z12C-3upnA:
undetectable		 5z12C-3upnA:
10.92
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 243
 None
 1.10A 6a5zD-3upnA:
undetectable		 6a5zD-3upnA:
10.43
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.
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.
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_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.
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.
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.
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 12 GLN A 143
VAL A 318
ILE A 483
GLY A 146
ALA A 457
 None
 1.20A 6c2mB-3upnA:
undetectable		 6c2mB-3upnA:
9.96
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 164
ILE A 483
GLY A 479
ILE A 478
ILE A 142
 None
 0.89A 6dj2A-3upnA:
undetectable		 6dj2A-3upnA:
10.57
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3upn PENICILLIN-BINDING
PROTEIN A
(Mycobacterium
tuberculosis) 		4 / 6 TYR A 366
GLN A 386
GLU A 166
THR A 137
 None
 1.35A 6djzA-3upnA:
undetectable		 6djzA-3upnA:
20.00