SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4av6'

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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.77A 1a7yA-4av6A:
undetectable
1a7yA-4av6A:
2.44
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.
1A7Y_B_DVAB2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.85A 1a7yB-4av6A:
undetectable
1a7yB-4av6A:
2.44
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.81A 1a7yB-4av6A:
undetectable
1a7yB-4av6A:
2.44
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.
1AV2_D_DVAD8_0
(GRAMICIDIN A)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 VAL A 690
VAL A 685
TRP A 659
None
0.90A 1av2C-4av6A:
undetectable
1av2D-4av6A:
undetectable
1av2C-4av6A:
3.69
1av2D-4av6A:
3.69
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.
1CTR_A_TFPA153_1
(CALMODULIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 9 ILE A 257
LEU A 513
GLU A 246
ALA A 180
VAL A 253
None
1.17A 1ctrA-4av6A:
undetectable
1ctrA-4av6A:
13.27
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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 509
SER A 184
ILE A 704
ARG A 191
ILE A 706
None
0.96A 1dhjA-4av6A:
undetectable
1dhjA-4av6A:
11.56
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.
1DSC_C_DVAC8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.72A 1dscC-4av6A:
undetectable
1dscC-4av6A:
2.44
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 11 SER A 454
LEU A 244
LEU A 424
SER A 505
ILE A 376
None
1.29A 1ee2A-4av6A:
undetectable
1ee2A-4av6A:
19.29
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.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 11 SER A 454
LEU A 244
LEU A 424
SER A 505
ILE A 376
None
1.28A 1ee2B-4av6A:
undetectable
1ee2B-4av6A:
19.29
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.
1EUP_A_ASDA452_1
(CYTOCHROME P450ERYF)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 SER A 254
ILE A 257
LEU A 258
LEU A 513
None
0.73A 1eupA-4av6A:
0.0
1eupA-4av6A:
22.76
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.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.85A 1fjaC-4av6A:
undetectable
1fjaC-4av6A:
2.44
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.
1FJA_D_DVAD8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.85A 1fjaD-4av6A:
undetectable
1fjaD-4av6A:
2.44
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 PHE A 430
SER A 372
ALA A 431
PHE A 508
None
1.21A 1fxvA-4av6A:
undetectable
1fxvB-4av6A:
1.6
1fxvA-4av6A:
15.07
1fxvB-4av6A:
21.30
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 TRP A 659
THR A 652
GLY A 413
LEU A 410
None
0.96A 1gtiD-4av6A:
1.2
1gtiD-4av6A:
14.58
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.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 THR A 384
SER A 416
GLY A 377
ILE A 376
None
0.89A 1gtnD-4av6A:
undetectable
1gtnE-4av6A:
undetectable
1gtnD-4av6A:
8.17
1gtnE-4av6A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 THR A 384
SER A 416
GLY A 377
ILE A 376
None
0.88A 1gtnF-4av6A:
undetectable
1gtnG-4av6A:
undetectable
1gtnF-4av6A:
8.17
1gtnG-4av6A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 THR A 384
SER A 416
GLY A 500
ILE A 503
None
0.87A 1gtnF-4av6A:
undetectable
1gtnG-4av6A:
undetectable
1gtnF-4av6A:
8.17
1gtnG-4av6A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 THR A 384
SER A 416
GLY A 377
ILE A 376
None
0.87A 1gtnJ-4av6A:
undetectable
1gtnK-4av6A:
undetectable
1gtnJ-4av6A:
8.17
1gtnK-4av6A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 THR A 384
SER A 416
GLY A 500
ILE A 503
None
0.89A 1gtnJ-4av6A:
undetectable
1gtnK-4av6A:
undetectable
1gtnJ-4av6A:
8.17
1gtnK-4av6A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.84A 1i3wE-4av6A:
undetectable
1i3wE-4av6A:
2.44
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.80A 1i3wE-4av6A:
undetectable
1i3wE-4av6A:
2.44
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.80A 1i3wF-4av6A:
undetectable
1i3wF-4av6A:
2.44
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.83A 1i3wG-4av6A:
undetectable
1i3wG-4av6A:
2.44
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.78A 1i3wG-4av6A:
undetectable
1i3wG-4av6A:
2.44
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.77A 1i3wH-4av6A:
undetectable
1i3wH-4av6A:
2.44
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.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 LEU A 445
LEU A 448
LEU A 245
ALA A 137
None
0.81A 1j8uA-4av6A:
undetectable
1j8uA-4av6A:
17.53
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 SER A 459
ALA A 464
SER A 127
ALA A  98
None
1.07A 1k5qA-4av6A:
0.6
1k5qB-4av6A:
1.7
1k5qA-4av6A:
14.41
1k5qB-4av6A:
21.30
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.78A 1mnvD-4av6A:
undetectable
1mnvD-4av6A:
2.44
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.76A 1mnvD-4av6A:
undetectable
1mnvD-4av6A:
2.44
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.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 5 ILE A  70
LEU A  67
VAL A  63
ALA A  56
None
0.98A 1mz9C-4av6A:
undetectable
1mz9C-4av6A:
4.55
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.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 5 ASP A 458
VAL A 457
SER A 456
ASP A 243
None
1.36A 1n2xB-4av6A:
undetectable
1n2xB-4av6A:
17.34
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.
1OS6_A_DXCA75_0
(PPCA)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 LEU A 325
PHE A 501
MET A 447
GLY A 373
None
1.07A 1os6A-4av6A:
undetectable
1os6A-4av6A:
7.38
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.85A 1ovfB-4av6A:
undetectable
1ovfB-4av6A:
2.44
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.78A 1qfiA-4av6A:
undetectable
1qfiA-4av6A:
2.44
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.82A 1qfiB-4av6A:
undetectable
1qfiB-4av6A:
2.44
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 5 GLY A 182
ILE A 186
VAL A 249
SER A  87
None
1.10A 1rs7A-4av6A:
undetectable
1rs7A-4av6A:
19.49
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
None
1.12A 1tlsA-4av6A:
undetectable
1tlsA-4av6A:
16.53
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
None
1.12A 1tlsB-4av6A:
undetectable
1tlsB-4av6A:
16.53
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.78A 1unjF-4av6A:
undetectable
1unjF-4av6A:
2.44
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.79A 1unjF-4av6A:
undetectable
1unjF-4av6A:
2.44
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.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.77A 1unjL-4av6A:
undetectable
1unjL-4av6A:
2.44
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.74A 1unjL-4av6A:
undetectable
1unjL-4av6A:
2.44
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.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.76A 1unjR-4av6A:
undetectable
1unjR-4av6A:
2.44
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.74A 1unjR-4av6A:
undetectable
1unjR-4av6A:
2.44
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.
1UNJ_W_DVAW8_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.72A 1unjW-4av6A:
undetectable
1unjW-4av6A:
2.44
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.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.73A 1unjX-4av6A:
undetectable
1unjX-4av6A:
2.44
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.
1UNJ_X_DVAX8_0
(7-AMINO-ACTINOMYCIN
D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.72A 1unjX-4av6A:
undetectable
1unjX-4av6A:
2.44
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.
1UNM_E_DVAE2_0
(7-AMINOACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.74A 1unmE-4av6A:
undetectable
1unmE-4av6A:
2.44
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.
1UNM_E_DVAE8_0
(7-AMINOACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.72A 1unmE-4av6A:
undetectable
1unmE-4av6A:
2.44
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.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.78A 1unmF-4av6A:
undetectable
1unmF-4av6A:
2.44
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.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.74A 1unmF-4av6A:
undetectable
1unmF-4av6A:
2.44
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.
1W5U_D_DVAD8_0
(GRAMICIDIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 VAL A 690
VAL A 685
TRP A 659
None
0.88A 1w5uC-4av6A:
undetectable
1w5uD-4av6A:
undetectable
1w5uC-4av6A:
3.69
1w5uD-4av6A:
3.69
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 GLY A 193
GLY A 194
GLY A 195
LEU A 562
SER A 604
None
1.19A 1xdsA-4av6A:
undetectable
1xdsA-4av6A:
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 LEU A 347
PRO A 264
ILE A 287
LEU A 286
None
1.15A 1ya4C-4av6A:
undetectable
1ya4C-4av6A:
23.51
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.
209D_C_DVAC2_0
(N8-ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
PRO A 419
THR A 423
None
0.72A 209dC-4av6A:
undetectable
209dC-4av6A:
2.44
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.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 421
THR A 423
PRO A 420
None
0.85A 209dC-4av6A:
undetectable
209dC-4av6A:
2.44
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 LEU A 131
VAL A 103
VAL A  25
ILE A 463
None
0.98A 2hyyA-4av6A:
undetectable
2hyyA-4av6A:
17.82
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 ASP A 243
ASP A 190
ASP A 458
GLY A 235
None
1.42A 2igtC-4av6A:
undetectable
2igtC-4av6A:
19.65
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 VAL A 685
TRP A 659
VAL A 690
None
0.89A 2izqA-4av6A:
undetectable
2izqB-4av6A:
undetectable
2izqA-4av6A:
3.69
2izqB-4av6A:
3.69
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
None
1.12A 2kceB-4av6A:
undetectable
2kceB-4av6A:
16.53
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 SER A 260
ILE A 287
THR A 340
GLY A 439
None
0.86A 2v0mB-4av6A:
undetectable
2v0mB-4av6A:
21.31
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.
2VH3_A_DAHA2_1
(RANASMURFIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 9 ALA A 441
ALA A 251
GLY A 504
SER A 512
ALA A 510
None
1.41A 2vh3A-4av6A:
0.8
2vh3A-4av6A:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ILE A 704
LEU A 705
GLY A 645
GLY A 699
None
0.82A 2wd9A-4av6A:
undetectable
2wd9A-4av6A:
23.58
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 TYR A 289
GLY A 358
ALA A 359
LEU A 347
None
0.92A 2wekB-4av6A:
undetectable
2wekB-4av6A:
19.89
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 GLY A 195
GLY A 239
ASP A 190
ASP A 692
GLU A  53
None
None
None
MG  A1731 ( 2.4A)
None
1.20A 2zw9B-4av6A:
undetectable
2zw9B-4av6A:
22.56
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.
3ARR_A_PNXA607_1
(CHITINASE A)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 VAL A 698
SER A 559
THR A 652
TRP A 659
None
1.20A 3arrA-4av6A:
undetectable
3arrA-4av6A:
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.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 VAL A 698
ILE A 503
GLY A 504
LEU A 448
None
0.76A 3bjwB-4av6A:
1.1
3bjwB-4av6A:
10.03
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.
3BJW_F_SVRF509_3
(PHOSPHOLIPASE A2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 VAL A 698
ILE A 503
GLY A 504
LEU A 448
None
0.85A 3bjwF-4av6A:
undetectable
3bjwF-4av6A:
10.03
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.
3BJW_H_SVRH511_3
(PHOSPHOLIPASE A2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 VAL A 698
ILE A 503
GLY A 504
LEU A 448
None
0.72A 3bjwH-4av6A:
1.0
3bjwH-4av6A:
10.03
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.
3CLB_D_TMQD614_1
(DHFR-TS)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 VAL A 440
ALA A 509
MET A 447
PRO A 420
ILE A 428
None
1.25A 3clbD-4av6A:
undetectable
3clbD-4av6A:
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.
3EM4_V_DR7V100_2
(PROTEASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 ASP A 541
ILE A 545
GLY A 547
GLY A 636
LEU A 638
None
0.95A 3em4V-4av6A:
undetectable
3em4V-4av6A:
8.66
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 11 LEU A 651
ALA A 653
GLY A 409
ILE A 650
SER A 416
None
1.13A 3gyqB-4av6A:
undetectable
3gyqB-4av6A:
18.43
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 VAL A 440
ALA A 509
MET A 447
PRO A 420
ILE A 428
None
1.26A 3hbbD-4av6A:
undetectable
3hbbD-4av6A:
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.
3HCP_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 LEU A 623
ILE A 619
SER A 520
GLY A 178
MET A 174
None
1.23A 3hcpB-4av6A:
undetectable
3hcpB-4av6A:
18.38
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 GLY A 551
GLY A 630
ALA A 631
GLY A 636
LEU A 638
None
1.01A 3hs6B-4av6A:
undetectable
3hs6B-4av6A:
22.16
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.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 VAL A 440
ASP A 432
SER A 512
GLY A 354
LEU A 353
None
1.30A 3j6pB-4av6A:
undetectable
3j6pB-4av6A:
19.92
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.
3L8L_D_DVAD8_0
(GRAMICIDIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 VAL A 690
VAL A 685
TRP A 659
None
0.91A 3l8lC-4av6A:
undetectable
3l8lD-4av6A:
undetectable
3l8lC-4av6A:
3.69
3l8lD-4av6A:
3.87
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 HIS A 681
ASP A 228
ASP A 688
ASP A 660
None
MG  A1729 (-3.6A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
0.97A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable
3n2oC-4av6A:
23.03
3n2oD-4av6A:
23.03
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 HIS A 681
ASP A 232
ASP A 688
ASP A 660
None
MG  A1732 (-1.9A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
1.06A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable
3n2oC-4av6A:
23.03
3n2oD-4av6A:
23.03
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 443
GLY A 369
LEU A 445
SER A 449
PHE A 364
None
1.33A 3pfgA-4av6A:
undetectable
3pfgA-4av6A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SEL_X_DXCX75_0
(CYTOCHROME C7)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 LEU A 325
PHE A 501
MET A 447
GLY A 373
None
1.01A 3selX-4av6A:
undetectable
3selX-4av6A:
7.38
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 GLY A 178
GLY A  77
LEU A  67
VAL A 253
GLY A 182
None
1.06A 3sglA-4av6A:
undetectable
3sglA-4av6A:
22.44
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 LEU A 325
PHE A 501
MET A 447
GLY A 373
None
0.85A 3sj1X-4av6A:
undetectable
3sj1X-4av6A:
7.38
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 7 ILE A 376
GLY A 504
SER A 505
PHE A 450
LEU A 448
None
1.27A 3v7pA-4av6A:
undetectable
3v7pA-4av6A:
19.49
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.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ILE A 256
VAL A 144
GLN A 154
GLY A 149
None
0.80A 4acaC-4av6A:
undetectable
4acaC-4av6A:
22.00
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 5 GLY A 182
ILE A 186
VAL A 249
SER A  87
None
0.84A 4d33B-4av6A:
undetectable
4d33B-4av6A:
20.03
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 GLY A 182
ILE A 186
VAL A 249
SER A  87
None
0.85A 4d39B-4av6A:
undetectable
4d39B-4av6A:
20.03
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 LEU A 325
ALA A 329
SER A 301
THR A 332
None
1.25A 4d7bB-4av6A:
undetectable
4d7bB-4av6A:
11.83
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.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 LEU A 244
ILE A 186
ARG A 191
GLY A  83
LEU A 141
None
1.03A 4dm8B-4av6A:
undetectable
4dm8B-4av6A:
17.41
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.01A 4feuB-4av6A:
undetectable
4feuB-4av6A:
15.78
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 488
ASP A 202
ASN A 229
ASP A 232
PO4  A1727 (-3.3A)
MG  A1729 (-2.2A)
MG  A1730 ( 4.3A)
MG  A1732 (-1.9A)
1.13A 4feuB-4av6A:
undetectable
4feuB-4av6A:
15.78
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 696
ASP A 488
ASP A 485
MG  A1729 (-2.2A)
PO4  A1728 ( 3.3A)
PO4  A1727 (-3.3A)
None
0.82A 4feuD-4av6A:
undetectable
4feuD-4av6A:
15.78
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.05A 4feuF-4av6A:
undetectable
4feuF-4av6A:
15.78
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.20A 4feuF-4av6A:
undetectable
4feuF-4av6A:
15.78
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4fevD-4av6A:
undetectable
4fevD-4av6A:
15.78
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.16A 4fevD-4av6A:
undetectable
4fevD-4av6A:
15.78
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.05A 4fevF-4av6A:
undetectable
4fevF-4av6A:
15.78
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.21A 4fevF-4av6A:
undetectable
4fevF-4av6A:
15.78
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4fewD-4av6A:
0.8
4fewD-4av6A:
15.78
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.17A 4fewD-4av6A:
0.8
4fewD-4av6A:
15.78
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.02A 4fewF-4av6A:
undetectable
4fewF-4av6A:
15.78
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.19A 4fewF-4av6A:
undetectable
4fewF-4av6A:
15.78
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.03A 4fexB-4av6A:
1.0
4fexB-4av6A:
15.78
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
None
1.13A 4foxD-4av6A:
undetectable
4foxD-4av6A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.06A 4gkhF-4av6A:
undetectable
4gkhF-4av6A:
15.78
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.17A 4gkhF-4av6A:
undetectable
4gkhF-4av6A:
15.78
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4gkhG-4av6A:
undetectable
4gkhG-4av6A:
15.78
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.20A 4gkhG-4av6A:
undetectable
4gkhG-4av6A:
15.78
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4gkhC-4av6A:
0.9
4gkhK-4av6A:
undetectable
4gkhC-4av6A:
15.78
4gkhK-4av6A:
15.78
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4gkiA-4av6A:
undetectable
4gkiA-4av6A:
15.78
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
1.16A 4gkiA-4av6A:
undetectable
4gkiA-4av6A:
15.78
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 8 ASP A 202
ASP A 660
GLU A 667
ASP A 465
MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
1.04A 4gkiE-4av6A:
undetectable
4gkiG-4av6A:
1.0
4gkiE-4av6A:
15.78
4gkiG-4av6A:
15.78
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.
4HBF_A_DXCA75_0
(PPCA)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 LEU A 325
PHE A 501
MET A 447
GLY A 373
None
0.87A 4hbfA-4av6A:
undetectable
4hbfA-4av6A:
7.38
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.
4HC3_A_DXCA75_0
(PPCA)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 LEU A 325
PHE A 501
MET A 447
GLY A 373
None
1.01A 4hc3A-4av6A:
undetectable
4hc3A-4av6A:
7.69
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 THR A 423
PRO A 420
THR A 421
None
0.83A 4hivD-4av6A:
undetectable
4hivD-4av6A:
2.44
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 LEU A 286
PHE A 355
PRO A 290
ALA A 366
ASP A 432
None
1.30A 4j7xA-4av6A:
undetectable
4j7xA-4av6A:
19.13
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 444
ILE A 287
LEU A 141
GLY A 149
LYS A 150
None
1.14A 4l9qB-4av6A:
undetectable
4l9qB-4av6A:
19.92
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 SER A 247
ILE A 708
CYH A 183
ALA A 187
ILE A 704
None
0.95A 4lbgA-4av6A:
undetectable
4lbgA-4av6A:
20.84
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 ASP A 688
ASP A 206
ALA A 204
ASP A 692
MG  A1731 (-3.3A)
MG  A1729 (-3.5A)
None
MG  A1731 ( 2.4A)
1.12A 4mdaA-4av6A:
undetectable
4mdaA-4av6A:
16.37
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 ASP A 688
ASP A 206
ALA A 204
ASP A 692
MG  A1731 (-3.3A)
MG  A1729 (-3.5A)
None
MG  A1731 ( 2.4A)
1.17A 4mdbA-4av6A:
undetectable
4mdbA-4av6A:
16.37
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.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 ASN A 492
GLY A 491
ASP A 190
ASP A 232
PO4  A1728 ( 2.5A)
None
None
MG  A1732 (-1.9A)
1.15A 4n49A-4av6A:
undetectable
4n49A-4av6A:
21.20
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 PHE A 450
LEU A 321
SER A 456
TYR A 123
GLY A 498
None
1.26A 4qb9E-4av6A:
0.1
4qb9E-4av6A:
23.42
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.
4WZM_A_ACTA503_0
(RNA DEPENDENT RNA
POLYMERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 ASP A 228
ASP A 206
ASP A 688
ALA A 205
MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 (-3.3A)
None
1.43A 4wzmA-4av6A:
0.0
4wzmA-4av6A:
20.63
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.
4WZM_A_ACTA503_0
(RNA DEPENDENT RNA
POLYMERASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 ASP A 228
ASP A 206
ASP A 692
ALA A 205
MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 ( 2.4A)
None
1.42A 4wzmA-4av6A:
0.0
4wzmA-4av6A:
20.63
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ASP A 243
SER A 247
LEU A 244
ILE A 503
LEU A 448
None
1.02A 4y8wC-4av6A:
undetectable
4y8wC-4av6A:
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ALA A 444
ASP A 243
GLY A 500
THR A 652
None
1.01A 5bs8A-4av6A:
1.6
5bs8B-4av6A:
undetectable
5bs8C-4av6A:
1.8
5bs8A-4av6A:
22.51
5bs8B-4av6A:
17.69
5bs8C-4av6A:
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 ALA A 444
ASP A 243
GLY A 500
THR A 652
None
1.01A 5btdA-4av6A:
1.6
5btdC-4av6A:
1.8
5btdD-4av6A:
undetectable
5btdA-4av6A:
22.51
5btdC-4av6A:
22.51
5btdD-4av6A:
17.69
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.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 4 LEU A  68
ILE A  64
GLY A 178
ILE A 185
None
0.90A 5dzk3-4av6A:
undetectable
5dzkm-4av6A:
undetectable
5dzk3-4av6A:
2.60
5dzkm-4av6A:
12.83
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.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 5 ILE A  64
GLY A 178
ILE A 185
LEU A  68
None
0.90A 5dzkd-4av6A:
undetectable
5dzkk-4av6A:
undetectable
5dzky-4av6A:
undetectable
5dzkd-4av6A:
14.19
5dzkk-4av6A:
12.83
5dzky-4av6A:
2.60
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 9 GLY A 640
ALA A 646
VAL A 642
MET A 647
ILE A 639
None
1.41A 5i3cA-4av6A:
undetectable
5i3cA-4av6A:
17.66
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ILE A 706
ALA A 443
ALA A 444
MET A 447
GLY A 427
None
1.10A 5igjA-4av6A:
undetectable
5igjA-4av6A:
18.18
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 LEU A  15
VAL A 133
GLY A 135
ALA A 137
LEU A 141
None
1.11A 5ikqA-4av6A:
undetectable
5ikqA-4av6A:
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 LEU A  15
VAL A 133
GLY A 135
ALA A 137
LEU A 141
None
1.08A 5iktA-4av6A:
undetectable
5iktA-4av6A:
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 431
LEU A 429
ALA A 366
GLY A 369
SER A 372
None
1.06A 5jglB-4av6A:
undetectable
5jglB-4av6A:
17.80
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 653
GLY A 657
ALA A 649
ALA A 380
GLY A 500
None
1.16A 5jglB-4av6A:
undetectable
5jglB-4av6A:
17.80
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 653
GLY A 657
ALA A 649
LEU A 702
ALA A 495
None
None
None
None
K  A1733 (-3.7A)
1.20A 5jglB-4av6A:
undetectable
5jglB-4av6A:
17.80
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ALA A 653
GLY A 657
LEU A 651
ALA A 649
ALA A 495
None
None
None
None
K  A1733 (-3.7A)
1.31A 5jglB-4av6A:
undetectable
5jglB-4av6A:
17.80
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 LEU A 325
ALA A 329
SER A 301
THR A 332
None
1.17A 5l4iB-4av6A:
undetectable
5l4iB-4av6A:
11.72
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 11 LEU A 412
GLU A 381
LEU A 394
THR A 384
ALA A 658
None
0.94A 5o96A-4av6A:
undetectable
5o96B-4av6A:
undetectable
5o96A-4av6A:
17.23
5o96B-4av6A:
17.23
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.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 GLU A 381
TYR A 388
ALA A 489
GLY A 491
None
0.96A 5uxdA-4av6A:
1.3
5uxdA-4av6A:
18.98
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 6 PRO A 614
GLY A 612
TYR A 613
VAL A 192
None
0.89A 5x80A-4av6A:
1.1
5x80B-4av6A:
1.2
5x80A-4av6A:
14.20
5x80B-4av6A:
14.20
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 VAL A 192
PRO A 614
GLY A 612
TYR A 613
None
0.92A 5x80C-4av6A:
1.2
5x80D-4av6A:
undetectable
5x80C-4av6A:
14.20
5x80D-4av6A:
14.20
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
4 / 7 GLY A 195
GLY A 235
ASN A 606
THR A 603
None
0.70A 5ybbB-4av6A:
3.4
5ybbB-4av6A:
21.22
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 12 ILE A 186
GLY A 239
ALA A 238
ILE A  92
LEU A  50
None
1.10A 6dwnD-4av6A:
2.0
6dwnD-4av6A:
7.98
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
5 / 10 GLY A 500
GLY A 498
ILE A 376
ALA A 502
GLY A 373
None
1.12A 6e5zA-4av6A:
undetectable
6e5zA-4av6A:
15.20
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.
6FGC_A_ACTA810_0
(GEPHYRIN)
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima)
3 / 3 LEU A  50
SER A  48
PHE A  49
None
0.66A 6fgcA-4av6A:
undetectable
6fgcA-4av6A:
21.88