SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3zvt'

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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		8 / 12 ALA A  48
SER A  49
LYS A  52
TYR A 147
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-4.1A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 1.00A 1ghmA-3zvtA:
7.1		 1ghmA-3zvtA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		3 / 4 LYS A  52
ALA A  56
MET A 295
 B07  A 500 (-3.4A)
None
None
 0.98A 1hk3A-3zvtA:
undetectable		 1hk3A-3zvtA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		8 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.65A 1i2wA-3zvtA:
20.3		 1i2wA-3zvtA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-3.2A)
 0.67A 1i2wB-3zvtA:
20.5		 1i2wB-3zvtA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TT0_A_ACTA4901_0
(PYRANOSE OXIDASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 6 THR A 413
GLN A 449
HIS A 440
ASN A 437
 None
 1.19A 1tt0A-3zvtA:
undetectable		 1tt0A-3zvtA:
22.05
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.
1TT0_B_ACTB3901_0
(PYRANOSE OXIDASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 6 THR A 413
GLN A 449
HIS A 440
ASN A 437
 None
 1.19A 1tt0B-3zvtA:
1.2		 1tt0B-3zvtA:
22.05
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.
1TT0_C_ACTC6901_0
(PYRANOSE OXIDASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 6 THR A 413
GLN A 449
HIS A 440
ASN A 437
 None
 1.17A 1tt0C-3zvtA:
undetectable		 1tt0C-3zvtA:
22.05
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.
1TT0_D_ACTD5901_0
(PYRANOSE OXIDASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 6 THR A 413
GLN A 449
HIS A 440
ASN A 437
 None
 1.19A 1tt0D-3zvtA:
undetectable		 1tt0D-3zvtA:
22.05
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 8 PHE A 162
ASN A 299
GLY A 301
THR A 237
 None
 0.99A 1ykiA-3zvtA:
undetectable
1ykiB-3zvtA:
undetectable		 1ykiA-3zvtA:
18.66
1ykiB-3zvtA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 8 THR A 237
PHE A 162
ASN A 299
GLY A 301
 None
 0.97A 1ykiA-3zvtA:
undetectable
1ykiB-3zvtA:
undetectable		 1ykiA-3zvtA:
18.66
1ykiB-3zvtA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 8 PHE A 162
ASN A 299
GLY A 301
THR A 237
 None
 1.00A 1ykiC-3zvtA:
undetectable
1ykiD-3zvtA:
undetectable		 1ykiC-3zvtA:
18.66
1ykiD-3zvtA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 8 THR A 237
PHE A 162
ASN A 299
GLY A 301
 None
 0.99A 1ykiC-3zvtA:
undetectable
1ykiD-3zvtA:
undetectable		 1ykiC-3zvtA:
18.66
1ykiD-3zvtA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.62A 1ymxA-3zvtA:
20.8		 1ymxA-3zvtA:
23.16
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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 SER A  49
LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.58A 1ymxB-3zvtA:
21.0		 1ymxB-3zvtA:
23.16
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LEU A 331
LEU A 334
GLY A 335
VAL A 360
ALA A 339
 None
 1.17A 2oz7A-3zvtA:
undetectable		 2oz7A-3zvtA:
20.82
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.
2PO5_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 11 LEU A  53
PHE A  54
LEU A 364
VAL A  27
VAL A 436
 None
 1.31A 2po5B-3zvtA:
2.4		 2po5B-3zvtA:
21.06
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LEU A  53
PHE A  54
LEU A 364
VAL A  27
VAL A 436
 None
 1.39A 2qd4A-3zvtA:
undetectable		 2qd4A-3zvtA:
20.85
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LEU A  53
PHE A  54
LEU A 364
VAL A  27
VAL A 436
 None
 1.37A 2qd4B-3zvtA:
undetectable		 2qd4B-3zvtA:
20.85
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.
2XF3_A_J01A500_1
(ORF12)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 10 VAL A 110
LEU A 154
LEU A 122
GLY A 246
ALA A 245
 None
 1.20A 2xf3A-3zvtA:
0.0		 2xf3A-3zvtA:
24.95
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 7 SER A 379
SER A 288
TRP A 376
ASP A  66
 None
 1.18A 3bc9A-3zvtA:
undetectable		 3bc9A-3zvtA:
21.58
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 5 ALA A 107
LEU A  90
GLY A 246
THR A 167
 None
 0.96A 3dl9A-3zvtA:
undetectable		 3dl9A-3zvtA:
21.23
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.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 9 ALA A 457
VAL A 407
ILE A 435
LEU A 420
PHE A 433
 None
 1.31A 3fl9D-3zvtA:
undetectable		 3fl9D-3zvtA:
14.56
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.41A 3hlwA-3zvtA:
20.9		 3hlwA-3zvtA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.33A 3hlwB-3zvtA:
21.1		 3hlwB-3zvtA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LYS A  52
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.34A 3huoA-3zvtA:
20.9		 3huoA-3zvtA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 PHE A  69
GLY A  94
ALA A  59
ASP A  66
GLY A  64
 None
 1.43A 3jzjA-3zvtA:
undetectable		 3jzjA-3zvtA:
26.24
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 8 LEU A 446
GLN A 449
SER A 418
ASN A 300
 None
None
None
B07  A 500 ( 4.2A)
 1.13A 3kp2A-3zvtA:
undetectable
3kp2B-3zvtA:
undetectable		 3kp2A-3zvtA:
16.15
3kp2B-3zvtA:
16.15
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 ALA A  48
LYS A  52
ASN A 300
LEU A 349
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.62A 3mzeA-3zvtA:
19.4		 3mzeA-3zvtA:
24.48
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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 ALA A  48
SER A  49
LYS A  52
ASN A 300
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.71A 3mzeA-3zvtA:
19.4		 3mzeA-3zvtA:
24.48
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ASP A 345
GLY A 348
ALA A  48
ALA A 419
ASN A 438
 None
B07  A 500 (-4.7A)
B07  A 500 (-3.8A)
None
None
 1.10A 3p5nA-3zvtA:
undetectable		 3p5nA-3zvtA:
16.99
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ASP A 345
GLY A 348
ALA A  48
ALA A 419
ASN A 438
 None
B07  A 500 (-4.7A)
B07  A 500 (-3.8A)
None
None
 1.10A 3p5nB-3zvtA:
undetectable		 3p5nB-3zvtA:
16.99
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.38A 3q07A-3zvtA:
20.7		 3q07A-3zvtA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.38A 3q07B-3zvtA:
20.9		 3q07B-3zvtA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.53A 3sh8A-3zvtA:
20.4		 3sh8A-3zvtA:
22.22
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.60A 3sh8B-3zvtA:
20.3		 3sh8B-3zvtA:
22.22
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.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 GLY A  42
GLY A 340
LEU A  53
VAL A 436
ALA A 419
 None
 1.23A 3t7vA-3zvtA:
undetectable		 3t7vA-3zvtA:
24.04
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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		8 / 12 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.76A 4euzA-3zvtA:
20.0		 4euzA-3zvtA:
21.84
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 SER A 298
ASN A 300
LEU A 349
THR A 393
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 ( 4.8A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.91A 4euzA-3zvtA:
20.0		 4euzA-3zvtA:
21.84
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 11 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.07A 4j6cA-3zvtA:
undetectable		 4j6cA-3zvtA:
25.00
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 10 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.08A 4j6cB-3zvtA:
undetectable		 4j6cB-3zvtA:
25.00
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.07A 4j6dA-3zvtA:
undetectable		 4j6dA-3zvtA:
25.00
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.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.09A 4j6dB-3zvtA:
undetectable		 4j6dB-3zvtA:
25.00
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.09A 4jbtA-3zvtA:
undetectable		 4jbtA-3zvtA:
25.00
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 11 ALA A 108
ALA A 112
ALA A 111
VAL A  85
LEU A  88
 None
 1.08A 4jbtB-3zvtA:
undetectable		 4jbtB-3zvtA:
25.00
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 VAL A 336
ALA A 367
TRP A 376
MET A  51
LEU A 343
 None
 1.29A 4kyaB-3zvtA:
undetectable		 4kyaB-3zvtA:
22.89
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 VAL A 336
ALA A 367
TRP A 376
MET A  51
LEU A 343
 None
 1.29A 4kyaD-3zvtA:
undetectable		 4kyaD-3zvtA:
22.89
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 VAL A 336
ALA A 367
TRP A 376
MET A  51
LEU A 343
 None
 1.29A 4kyaF-3zvtA:
undetectable		 4kyaF-3zvtA:
22.89
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 VAL A 336
ALA A 367
TRP A 376
MET A  51
LEU A 343
 None
 1.26A 4kyaH-3zvtA:
undetectable		 4kyaH-3zvtA:
22.89
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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.54A 4n9kA-3zvtA:
20.6		 4n9kA-3zvtA:
22.12
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.56A 4n9kB-3zvtA:
20.5		 4n9kB-3zvtA:
22.12
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		3 / 3 ASP A 142
TYR A 147
TRP A 139
 None
B07  A 500 (-4.1A)
None
 1.04A 4p7nA-3zvtA:
undetectable		 4p7nA-3zvtA:
20.26
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
 B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.26A 4pm5A-3zvtA:
20.9		 4pm5A-3zvtA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LYS A  52
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.39A 4pm7A-3zvtA:
21.0		 4pm7A-3zvtA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.73A 4pm7A-3zvtA:
21.0		 4pm7A-3zvtA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
 B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.29A 4pm9A-3zvtA:
20.9		 4pm9A-3zvtA:
22.61
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.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ASN A  50
SER A  49
PRO A 445
ILE A 435
SER A 421
 None
B07  A 500 (-1.4A)
None
None
None
 1.15A 4uroA-3zvtA:
undetectable		 4uroA-3zvtA:
19.70
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.59A 5ghyA-3zvtA:
20.3		 5ghyA-3zvtA:
22.35
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.56A 5ghyB-3zvtA:
20.4		 5ghyB-3zvtA:
22.35
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 11 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.55A 5ghzA-3zvtA:
20.4		 5ghzA-3zvtA:
22.35
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		7 / 10 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.53A 5ghzB-3zvtA:
20.5		 5ghzB-3zvtA:
22.35
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 LEU A 420
ALA A 460
VAL A 406
GLY A 405
ALA A 383
LEU A 394
 None
None
MG  A 611 (-4.7A)
None
None
None
 1.49A 5jw1A-3zvtA:
undetectable		 5jw1A-3zvtA:
20.48
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 ILE A  12
SER A  49
ALA A 409
LEU A 420
ALA A 419
 None
B07  A 500 (-1.4A)
None
None
None
 1.19A 5oy02-3zvtA:
undetectable		 5oy02-3zvtA:
10.14
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.
5TUD_A_ERMA2001_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		4 / 7 THR A  71
VAL A 260
GLN A  86
GLU A  76
 None
 0.97A 5tudA-3zvtA:
undetectable		 5tudA-3zvtA:
22.13
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)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 SER A  49
SER A 298
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.63A 6b68D-3zvtA:
20.2		 6b68D-3zvtA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 SER A  49
SER A 298
THR A 393
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.88A 6b69D-3zvtA:
20.2		 6b69D-3zvtA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 SER A 298
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.68A 6b69D-3zvtA:
20.2		 6b69D-3zvtA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		6 / 12 SER A 298
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.80A 6b6dA-3zvtA:
20.0		 6b6dA-3zvtA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 12 SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.34A 6c79A-3zvtA:
20.8		 6c79A-3zvtA:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Actinomadura
sp.
R39) 		5 / 10 LEU A  53
VAL A 361
VAL A 436
ALA A 357
LEU A 364
 None
 1.15A 6czmA-3zvtA:
undetectable
6czmC-3zvtA:
1.4		 6czmA-3zvtA:
21.62
6czmC-3zvtA:
21.62