SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DWZ'


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
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 SER A  84
LYS A  87
SER A 142
GLU A 182
THR A 232
LYS A 250
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
 0.35A 1i2wA-3dwzA:
41.5		 1i2wA-3dwzA:
44.37
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  84
LYS A  87
SER A 142
GLU A 182
THR A 232
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 (-3.3A)
 0.38A 1i2wB-3dwzA:
41.5		 1i2wB-3dwzA:
44.37
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.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4zfq L,D-TRANSPEPTIDASE 5
(Mycobacterium
tuberculosis) 		4 / 8 ASN A 362
GLY A 291
THR A 300
GLY A 338
 None
None
None
DWZ  A 503 (-2.8A)
 0.80A 1jr1B-4zfqA:
undetectable		 1jr1B-4zfqA:
22.63
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		10 / 12 SER A  84
LYS A  87
SER A 142
GLU A 182
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.58A 1ymxA-3dwzA:
41.2		 1ymxA-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A  84
LYS A  87
SER A 142
GLU A 182
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.50A 1ymxB-3dwzA:
41.3		 1ymxB-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 5 CYH A  83
PRO A 183
THR A 232
THR A 251
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 ( 4.5A)
DWZ  A 400 (-3.5A)
 0.33A 1ymxB-3dwzA:
41.3		 1ymxB-3dwzA:
45.35
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 8 TYR A 109
GLY A 144
THR A 145
ALA A 146
 None
DWZ  A 400 ( 3.8A)
None
None
 0.83A 2a1hA-3dwzA:
undetectable
2a1hB-3dwzA:
undetectable		 2a1hA-3dwzA:
21.18
2a1hB-3dwzA:
21.18
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 LYS A  87
SER A 142
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
 0.51A 3hlwA-3dwzA:
41.2		 3hlwA-3dwzA:
44.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.88A 3hlwA-3dwzA:
41.2		 3hlwA-3dwzA:
44.98
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 SER A 142
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
GLY A 254
 DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.36A 3hlwB-3dwzA:
41.4		 3hlwB-3dwzA:
44.98
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		8 / 12 CYH A  83
LYS A  87
ASN A 186
LYS A 250
THR A 251
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-2.6A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
None
 0.50A 3huoA-3dwzA:
41.3		 3huoA-3dwzA:
44.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 CYH A  83
LYS A  87
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-2.6A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.49A 3huoB-3dwzA:
41.3		 3huoB-3dwzA:
44.98
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 SER A  84
ILE A 117
SER A 142
ASN A 186
THR A 232
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.37A 3ny4A-3dwzA:
49.6		 3ny4A-3dwzA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		5 / 5 ILE A 117
ARG A 236
THR A 253
GLU A 289
GLU A 292
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 (-4.1A)
None
None
 0.62A 3ny4A-3dwzA:
49.6		 3ny4A-3dwzA:
99.62
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 LYS A  87
SER A 142
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.51A 3q07A-3dwzA:
41.3		 3q07A-3dwzA:
44.98
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		7 / 12 LYS A  87
SER A 142
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.58A 3q07B-3dwzA:
41.5		 3q07B-3dwzA:
44.98
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		8 / 12 LYS A  87
SER A 142
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
 0.35A 4euzA-3dwzA:
39.7		 4euzA-3dwzA:
43.57
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4zfq L,D-TRANSPEPTIDASE 5
(Mycobacterium
tuberculosis) 		4 / 8 ASN A 362
GLY A 291
THR A 300
GLY A 338
 None
None
None
DWZ  A 503 (-2.8A)
 0.75A 4fo4B-4zfqA:
undetectable		 4fo4B-4zfqA:
24.78
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  84
SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
 0.20A 4n9kA-3dwzA:
41.8		 4n9kA-3dwzA:
45.22
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  84
SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
 0.20A 4n9kB-3dwzA:
41.7		 4n9kB-3dwzA:
45.22
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
GLY A 254
 DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.34A 4pm5A-3dwzA:
41.1		 4pm5A-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
GLY A 254
 DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.62A 4pm5A-3dwzA:
41.1		 4pm5A-3dwzA:
45.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		3 / 3 CYH A  83
PRO A 183
ASP A 255
 DWZ  A 400 (-4.9A)
None
None
 0.82A 4pm5A-3dwzA:
41.1		 4pm5A-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 LYS A  87
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
 DWZ  A 400 (-2.6A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
 0.51A 4pm7A-3dwzA:
41.0		 4pm7A-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 LYS A  87
SER A 142
ASN A 186
LYS A 250
GLY A 252
GLY A 254
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
 0.78A 4pm7A-3dwzA:
41.0		 4pm7A-3dwzA:
45.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.76A 4pm7A-3dwzA:
41.0		 4pm7A-3dwzA:
45.35
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
GLY A 254
 DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.31A 4pm9A-3dwzA:
41.4		 4pm9A-3dwzA:
45.52
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
GLY A 254
 DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.61A 4pm9A-3dwzA:
41.4		 4pm9A-3dwzA:
45.52
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A  84
SER A 142
ASN A 186
LYS A 250
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
 0.22A 5ghyA-3dwzA:
41.8		 5ghyA-3dwzA:
45.22
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A  84
SER A 142
ASN A 186
LYS A 250
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
 0.23A 5ghyB-3dwzA:
41.8		 5ghyB-3dwzA:
45.22
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 11 SER A  84
SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
 0.22A 5ghzA-3dwzA:
41.7		 5ghzA-3dwzA:
45.22
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)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 10 SER A  84
SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
 0.20A 5ghzB-3dwzA:
41.7		 5ghzB-3dwzA:
45.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 185
LYS A  87
LEU A  90
LEU A 151
 None
DWZ  A 400 (-2.6A)
None
None
 1.11A 5yvnA-3dwzA:
undetectable		 5yvnA-3dwzA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.63A 6b5yA-3dwzA:
48.2
6b5yB-3dwzA:
48.2		 6b5yA-3dwzA:
100.00
6b5yB-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
SER A 142
ASN A 186
THR A 232
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.36A 6b5yB-3dwzA:
48.2		 6b5yB-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_C_9F2C302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		5 / 10 ILE A 117
PRO A 119
TYR A 141
THR A 231
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
None
 0.80A 6b5yC-3dwzA:
48.1
6b5yD-3dwzA:
48.3		 6b5yC-3dwzA:
100.00
6b5yD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_C_9F2C302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		5 / 10 PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.34A 6b5yC-3dwzA:
48.1
6b5yD-3dwzA:
48.3		 6b5yC-3dwzA:
100.00
6b5yD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
SER A 142
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
GLU A 292
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
None
 0.38A 6b5yD-3dwzA:
48.3		 6b5yD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.64A 6b68A-3dwzA:
48.5
6b68B-3dwzA:
48.6		 6b68A-3dwzA:
100.00
6b68B-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
SER A 142
ASN A 186
ARG A 187
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
None
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.34A 6b68B-3dwzA:
48.6		 6b68B-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_C_9F2C302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.65A 6b68C-3dwzA:
48.4
6b68D-3dwzA:
48.5		 6b68C-3dwzA:
100.00
6b68D-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		11 / 12 SER A  84
SER A 142
ASN A 186
THR A 232
ARG A 236
LYS A 250
GLY A 252
THR A 253
GLY A 254
ASP A 255
GLU A 292
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
None
 0.33A 6b68D-3dwzA:
48.5		 6b68D-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.60A 6b69A-3dwzA:
48.5
6b69B-3dwzA:
48.4		 6b69A-3dwzA:
100.00
6b69B-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		11 / 12 SER A  84
SER A 142
PRO A 183
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
None
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.34A 6b69A-3dwzA:
48.5
6b69B-3dwzA:
48.4		 6b69A-3dwzA:
100.00
6b69B-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_C_9F2C302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.59A 6b69C-3dwzA:
48.5
6b69D-3dwzA:
48.3		 6b69C-3dwzA:
100.00
6b69D-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
SER A 142
ASN A 186
THR A 232
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
GLU A 292
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.24A 6b69D-3dwzA:
48.3		 6b69D-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.50A 6b6aA-3dwzA:
47.8
6b6aB-3dwzA:
48.2		 6b6aA-3dwzA:
100.00
6b6aB-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
SER A 142
ASN A 186
THR A 232
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.27A 6b6aB-3dwzA:
48.2		 6b6aB-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_C_9F2C302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.39A 6b6aC-3dwzA:
47.8
6b6aD-3dwzA:
48.0		 6b6aC-3dwzA:
100.00
6b6aD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 SER A  84
ILE A 117
SER A 142
ASN A 186
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
GLU A 292
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
None
 0.39A 6b6aD-3dwzA:
48.0		 6b6aD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 SER A  84
ILE A 117
SER A 142
PRO A 183
ASN A 186
ARG A 187
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
None
DWZ  A 400 ( 4.0A)
None
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
 0.44A 6b6cA-3dwzA:
47.1		 6b6cA-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
ILE A 117
SER A 142
ASN A 186
ARG A 187
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
None
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
 0.60A 6b6dA-3dwzA:
46.6		 6b6dA-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 SER A  84
ILE A 117
SER A 142
ASN A 186
ARG A 187
THR A 232
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
None
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
 0.37A 6b6eA-3dwzA:
47.0		 6b6eA-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		12 / 12 CYH A  83
SER A  84
ILE A 117
SER A 142
PRO A 183
ASN A 186
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
None
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.51A 6b6fA-3dwzA:
46.7		 6b6fA-3dwzA:
100.00
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A 142
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
 DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
 0.38A 6c79A-3dwzA:
41.5		 6c79A-3dwzA:
20.57
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.
6C79_A_CE3A301_2
(BETA-LACTAMASE
TOHO-1)		 3dwz BETA-LACTAMASE
(Mycobacterium
tuberculosis) 		4 / 4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.80A 6c79A-3dwzA:
41.5		 6c79A-3dwzA:
20.57