SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bub'

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.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 10 VAL A 331
VAL A 343
ILE A 450
GLU A 477
LEU A 439
 None
 1.37A 1ihiA-4bubA:
undetectable		 1ihiA-4bubA:
21.64
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 11 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.96A 1sduA-4bubA:
undetectable		 1sduA-4bubA:
12.03
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.98A 2pynB-4bubA:
undetectable		 2pynB-4bubA:
11.76
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.95A 2qakB-4bubA:
undetectable		 2qakB-4bubA:
11.97
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.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 1.01A 3cyxA-4bubA:
undetectable		 3cyxA-4bubA:
12.03
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.97A 3d1xB-4bubA:
undetectable		 3d1xB-4bubA:
12.24
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 7 ARG A 444
VAL A 370
LEU A 392
ILE A 450
 None
 0.97A 3gp0A-4bubA:
undetectable		 3gp0A-4bubA:
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		3 / 3 GLU A 325
GLY A 323
THR A 322
 None
 0.48A 3iazA-4bubA:
undetectable		 3iazA-4bubA:
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.
3NU3_B_478B401_1
(PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.96A 3nu3A-4bubA:
undetectable		 3nu3A-4bubA:
12.03
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.
3OGP_B_017B200_1
(FIV PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 10 LEU A 356
ALA A 346
GLY A 454
VAL A 359
LEU A 355
 None
 0.84A 3ogpA-4bubA:
undetectable		 3ogpA-4bubA:
12.84
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.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 11 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.92A 3oxxD-4bubA:
undetectable		 3oxxD-4bubA:
12.71
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.
3PWR_A_ROCA401_3
(PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.97A 3pwrB-4bubA:
undetectable		 3pwrB-4bubA:
10.97
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 6 PHE A 106
LEU A 307
ALA A 300
LEU A 125
 None
 0.95A 3t3zA-4bubA:
undetectable		 3t3zA-4bubA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Z_B_9PLB501_1
(CYTOCHROME P450 2E1)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 6 PHE A 106
LEU A 307
ALA A 300
LEU A 125
 None
 0.99A 3t3zB-4bubA:
undetectable		 3t3zB-4bubA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA303_1
(CHITOSANASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 6 ILE A 450
ASP A 471
ARG A 453
GLY A 372
 None
 1.07A 4oltA-4bubA:
undetectable		 4oltA-4bubA:
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.
4OLT_B_GCSB303_1
(CHITOSANASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 6 ILE A 450
ASP A 471
ARG A 453
GLY A 372
 None
 1.07A 4oltB-4bubA:
undetectable		 4oltB-4bubA:
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.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.96A 4q1yB-4bubA:
undetectable		 4q1yB-4bubA:
12.71
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 ALA A  89
GLU A  88
LEU A 160
ARG A  44
LEU A 225
 None
 1.13A 4xi3A-4bubA:
undetectable		 4xi3A-4bubA:
18.96
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 ALA A  89
GLU A  88
LEU A 160
ARG A  44
LEU A 225
 None
 1.19A 4xi3D-4bubA:
undetectable		 4xi3D-4bubA:
18.96
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		4 / 8 ARG A 431
ASP A 401
PHE A 371
VAL A 449
 None
 1.17A 4xqgA-4bubA:
undetectable		 4xqgA-4bubA:
23.61
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.
4Y0R_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 125
LEU A 304
ILE A 121
ILE A 197
VAL A 195
 None
 0.90A 4y0rA-4bubA:
undetectable		 4y0rA-4bubA:
15.98
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 LEU A 125
LEU A 304
ILE A 121
ILE A 197
VAL A 195
 None
 0.81A 4y0sA-4bubA:
undetectable		 4y0sA-4bubA:
18.47
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		3 / 3 THR A 271
HIS A 305
LEU A 282
 None
 0.79A 5axdA-4bubA:
4.5		 5axdA-4bubA:
22.45
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		3 / 3 GLU A  97
TRP A 100
ASN A   9
 None
 0.95A 5dv4A-4bubA:
undetectable		 5dv4A-4bubA:
21.11
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 ALA A 393
LEU A 392
ALA A 389
PHE A 371
LEU A 398
 None
 1.10A 5k9dA-4bubA:
undetectable		 5k9dA-4bubA:
23.98
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE
(Thermotoga
maritima) 		5 / 12 VAL A 395
ASP A 394
ALA A 438
GLY A 445
LEU A 339
 None
 1.25A 5m54E-4bubA:
4.4		 5m54E-4bubA:
21.90