SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3a05'

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.
1J7K_A_ACTA701_0
(HOLLIDAY JUNCTION
DNA HELICASE RUVB)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 4 GLY A 297
LEU A 296
GLY A 298
ARG A 287
None
None
SF4  A 373 ( 4.3A)
None
0.92A 1j7kA-3a05A:
undetectable
1j7kA-3a05A:
26.03
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.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 8 VAL A  32
TYR A 245
SER A 243
VAL A 211
None
1.09A 1jtvA-3a05A:
3.6
1jtvA-3a05A:
22.58
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 12 PHE A 159
PHE A 150
ALA A 124
ALA A 128
PRO A 370
None
1.19A 2igtC-3a05A:
2.3
2igtC-3a05A:
21.57
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.
3EKT_B_017B200_1
(PROTEASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
None
1.04A 3ektA-3a05A:
undetectable
3ektA-3a05A:
12.88
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.
3EKY_A_DR7A100_1
(PROTEASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 10 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
None
0.99A 3ekyA-3a05A:
undetectable
3ekyA-3a05A:
12.60
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.
3EL9_A_DR7A100_2
(PROTEASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 10 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
None
0.98A 3el9B-3a05A:
undetectable
3el9B-3a05A:
13.97
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 10 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.16A 3fhjA-3a05A:
2.6
3fhjA-3a05A:
25.36
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.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 10 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.15A 3fhjB-3a05A:
21.5
3fhjB-3a05A:
25.36
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.
3FHJ_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 10 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.15A 3fhjC-3a05A:
20.9
3fhjC-3a05A:
25.36
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.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.16A 3fhjD-3a05A:
22.7
3fhjD-3a05A:
25.36
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.
3FHJ_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 10 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.16A 3fhjE-3a05A:
22.2
3fhjE-3a05A:
25.36
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.
3FHJ_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.16A 3fhjF-3a05A:
23.4
3fhjF-3a05A:
25.36
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.
3FI0_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
None
None
None
None
1.14A 3fi0A-3a05A:
22.7
3fi0A-3a05A:
25.43
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.
3FI0_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.07A 3fi0A-3a05A:
22.7
3fi0A-3a05A:
25.43
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 8 GLY A  76
ASP A 195
ILE A 196
VAL A 212
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
0.44A 3fi0B-3a05A:
22.4
3fi0B-3a05A:
25.43
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.
3FI0_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
None
None
None
None
1.11A 3fi0C-3a05A:
22.8
3fi0C-3a05A:
25.43
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.
3FI0_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.07A 3fi0C-3a05A:
22.8
3fi0C-3a05A:
25.43
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.
3FI0_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.15A 3fi0D-3a05A:
22.8
3fi0D-3a05A:
25.43
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.
3FI0_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 7 GLY A  76
ASP A 195
ILE A 196
VAL A 212
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
0.44A 3fi0E-3a05A:
21.5
3fi0E-3a05A:
25.43
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.
3FI0_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.11A 3fi0F-3a05A:
22.1
3fi0F-3a05A:
25.43
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.
3FI0_G_TRPG1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 8 GLY A  76
ASP A 195
ILE A 196
VAL A 212
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
0.39A 3fi0G-3a05A:
23.0
3fi0G-3a05A:
25.43
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.
3FI0_H_TRPH1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.08A 3fi0H-3a05A:
22.4
3fi0H-3a05A:
25.43
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.
3FI0_I_TRPI1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 8 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.17A 3fi0I-3a05A:
22.6
3fi0I-3a05A:
undetectable
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.
3FI0_J_TRPJ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
None
None
None
None
1.15A 3fi0J-3a05A:
4.5
3fi0J-3a05A:
25.43
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.
3FI0_J_TRPJ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.07A 3fi0J-3a05A:
4.5
3fi0J-3a05A:
25.43
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.
3FI0_K_TRPK1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.07A 3fi0K-3a05A:
4.7
3fi0K-3a05A:
25.43
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
None
None
None
None
1.17A 3fi0L-3a05A:
22.8
3fi0L-3a05A:
25.43
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.10A 3fi0L-3a05A:
22.8
3fi0L-3a05A:
25.43
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.
3FI0_M_TRPM1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.15A 3fi0M-3a05A:
5.3
3fi0M-3a05A:
25.43
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.
3FI0_N_TRPN1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
6 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
1.13A 3fi0N-3a05A:
22.8
3fi0N-3a05A:
25.43
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.
3FI0_O_TRPO1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.14A 3fi0O-3a05A:
2.4
3fi0O-3a05A:
25.43
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.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 8 GLY A  76
ASP A 195
ILE A 196
VAL A 212
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
0.42A 3fi0Q-3a05A:
2.5
3fi0Q-3a05A:
25.43
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.
3GGU_B_017B201_2
(PROTEASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
None
1.06A 3gguB-3a05A:
undetectable
3gguB-3a05A:
11.23
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 12 GLY A 140
GLN A  98
VAL A 104
ALA A 363
PHE A  83
None
1.22A 3qowA-3a05A:
undetectable
3qowA-3a05A:
20.92
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.
3R9V_B_DXCB1_0
(INVASIN IPAD)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 7 LEU A 268
LEU A 345
HIS A  84
VAL A 305
SER A 304
None
None
None
SF4  A 373 ( 4.3A)
None
1.50A 3r9vA-3a05A:
undetectable
3r9vB-3a05A:
undetectable
3r9vA-3a05A:
21.67
3r9vB-3a05A:
21.67
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.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 12 GLN A 293
GLY A 286
ILE A 340
GLY A 335
ALA A 341
SF4  A 373 ( 4.5A)
SF4  A 373 (-3.8A)
None
None
None
0.96A 3sudC-3a05A:
undetectable
3sudC-3a05A:
19.47
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
None
1.04A 4dqcB-3a05A:
undetectable
4dqcB-3a05A:
12.60
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 THR A 225
LEU A 228
ALA A 193
GLN A 163
LEU A 238
None
1.29A 4ltwA-3a05A:
undetectable
4ltwA-3a05A:
20.42
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
3 / 3 PRO A 220
VAL A 214
HIS A 246
None
0.66A 4pevC-3a05A:
2.6
4pevC-3a05A:
23.81
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
3 / 3 VAL A 305
GLN A 339
CYH A 337
SF4  A 373 ( 4.3A)
None
SF4  A 373 (-2.2A)
0.83A 5icxA-3a05A:
undetectable
5icxE-3a05A:
undetectable
5icxA-3a05A:
20.93
5icxE-3a05A:
3.85
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.
5INZ_D_DVAD2_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
4 / 4 GLY A 298
CYH A 334
ARG A 287
GLY A 285
SF4  A 373 ( 4.3A)
SF4  A 373 (-2.3A)
None
SF4  A 373 (-3.6A)
1.29A 5inzA-3a05A:
undetectable
5inzC-3a05A:
undetectable
5inzD-3a05A:
undetectable
5inzA-3a05A:
7.14
5inzC-3a05A:
7.14
5inzD-3a05A:
7.14
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.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.25A 5v0iA-3a05A:
22.8
5v0iA-3a05A:
25.67
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.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
5 / 9 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
1.26A 5v0iB-3a05A:
23.4
5v0iB-3a05A:
25.67
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.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix)
3 / 3 SER A 259
HIS A  87
TYR A 132
None
1.02A 5y2tA-3a05A:
undetectable
5y2tA-3a05A:
undetectable