SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ie1'

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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 HIS A  61
PHE A 223
GLY A 379
HIS A 141
ASP A  63
 ZN  A 453 (-3.4A)
U  E   1 ( 3.9A)
SO4  A 447 (-3.8A)
ZN  A 453 (-3.3A)
ZN  A 452 (-2.5A)
 1.37A 1a4lD-3ie1A:
undetectable		 1a4lD-3ie1A:
23.18
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 HIS A  61
PHE A 223
GLY A 379
HIS A 400
ASP A  63
 ZN  A 453 (-3.4A)
U  E   1 ( 3.9A)
SO4  A 447 (-3.8A)
ZN  A 452 (-3.3A)
ZN  A 452 (-2.5A)
 1.31A 1a4lD-3ie1A:
undetectable		 1a4lD-3ie1A:
23.18
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 TYR A  81
LEU A 134
LEU A 127
HIS A  64
LEU A  27
 None
None
None
ZN  A 452 (-3.5A)
None
 1.27A 1fmlA-3ie1A:
undetectable		 1fmlA-3ie1A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 VAL A 183
SER A 160
ASP A 388
GLN A 418
 None
 1.26A 1n2xB-3ie1A:
2.4		 1n2xB-3ie1A:
22.87
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 ALA A 408
LEU A 409
GLY A 187
GLY A 382
 None
 0.78A 1rukH-3ie1A:
undetectable
1rukL-3ie1A:
undetectable		 1rukH-3ie1A:
16.90
1rukL-3ie1A:
18.29
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.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 LEU A 406
GLU A  11
ALA A 423
LEU A 184
 None
 0.84A 1sn0B-3ie1A:
undetectable
1sn0D-3ie1A:
undetectable		 1sn0B-3ie1A:
15.58
1sn0D-3ie1A:
15.58
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 LEU A  27
HIS A  59
ASP A 162
GLY A 161
TYR A 159
 None
ZN  A 453 (-3.6A)
ZN  A 452 ( 2.6A)
None
None
 1.17A 1zz1B-3ie1A:
undetectable
1zz1C-3ie1A:
undetectable		 1zz1B-3ie1A:
25.76
1zz1C-3ie1A:
25.76
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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 SER A  15
ASP A  29
VAL A  12
LEU A 386
 None
 1.03A 2hdnE-3ie1A:
undetectable
2hdnF-3ie1A:
undetectable
2hdnH-3ie1A:
undetectable		 2hdnE-3ie1A:
6.55
2hdnF-3ie1A:
22.89
2hdnH-3ie1A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_H_TACH4888_1
(ELONGATION FACTOR
EF-TU)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 VAL A  12
LEU A 386
SER A  15
ASP A  29
 None
 1.05A 2hdnF-3ie1A:
undetectable
2hdnG-3ie1A:
undetectable
2hdnH-3ie1A:
undetectable		 2hdnF-3ie1A:
22.89
2hdnG-3ie1A:
6.55
2hdnH-3ie1A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 11 ASP A  63
HIS A  64
HIS A 141
ASP A 162
HIS A 400
 ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
ZN  A 453 (-3.3A)
ZN  A 452 ( 2.6A)
ZN  A 452 (-3.3A)
 0.61A 2q0jB-3ie1A:
11.7		 2q0jB-3ie1A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 11 ASP A 162
HIS A 400
ASP A  63
HIS A  64
LEU A 142
 ZN  A 452 ( 2.6A)
ZN  A 452 (-3.3A)
ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
None
 1.16A 2q0jB-3ie1A:
11.7		 2q0jB-3ie1A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 SER A  15
HIS A  17
THR A  58
TRP A 389
 None
 1.19A 3arrA-3ie1A:
undetectable		 3arrA-3ie1A:
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 GLY A 345
GLY A 348
ALA A 349
GLU A 402
 None
 0.66A 3aruA-3ie1A:
undetectable		 3aruA-3ie1A:
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 LEU A 409
LEU A 398
ALA A 381
ALA A 185
VAL A 183
 None
 1.22A 3b0wA-3ie1A:
undetectable		 3b0wA-3ie1A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 ALA A  16
GLY A   7
ALA A  43
LEU A  68
PHE A  45
 None
 1.18A 3qxyA-3ie1A:
undetectable		 3qxyA-3ie1A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R4X_A_PZAA598_0
(LACTOPEROXIDASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 PHE A 105
ARG A  73
GLU A  74
PHE A  45
 None
 1.38A 3r4xA-3ie1A:
0.0		 3r4xA-3ie1A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 4 SER A 160
GLY A 190
GLU A 404
 None
 0.50A 3raeA-3ie1A:
undetectable
3raeC-3ie1A:
undetectable		 3raeA-3ie1A:
21.92
3raeC-3ie1A:
19.51
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 11 ALA A  16
GLY A   7
ALA A  43
LEU A  68
PHE A  45
 None
 1.16A 3rc0A-3ie1A:
undetectable		 3rc0A-3ie1A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 ALA A  16
GLY A   7
ALA A  43
LEU A  68
PHE A  45
 None
 1.18A 3rc0B-3ie1A:
undetectable		 3rc0B-3ie1A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 GLN A 229
TYR A 261
PHE A 268
LEU A 171
 None
 1.05A 3tgvB-3ie1A:
undetectable		 3tgvB-3ie1A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 GLN A 229
TYR A 261
PHE A 268
LEU A 171
 None
 0.92A 3tgvD-3ie1A:
undetectable		 3tgvD-3ie1A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 LEU A 398
GLY A 382
ALA A 381
LEU A 409
GLY A 379
 None
None
None
None
SO4  A 447 (-3.8A)
 1.01A 3uq6B-3ie1A:
undetectable		 3uq6B-3ie1A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 LEU A 398
GLY A 382
ALA A 381
LEU A 409
GLY A 379
 None
None
None
None
SO4  A 447 (-3.8A)
 1.04A 3vaqB-3ie1A:
2.2		 3vaqB-3ie1A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 TYR A 159
HIS A 400
ASP A  29
HIS A 141
 None
ZN  A 452 (-3.3A)
None
ZN  A 453 (-3.3A)
 1.46A 3zodA-3ie1A:
undetectable		 3zodA-3ie1A:
18.22
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 HIS A  59
ASP A 162
HIS A  17
GLY A 161
TYR A 159
 ZN  A 453 (-3.6A)
ZN  A 452 ( 2.6A)
None
None
None
 1.48A 4bz6A-3ie1A:
undetectable
4bz6B-3ie1A:
undetectable		 4bz6A-3ie1A:
23.92
4bz6B-3ie1A:
23.92
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.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 10 HIS A  59
HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.68A 4c1dB-3ie1A:
undetectable		 4c1dB-3ie1A:
21.85
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 11 HIS A  59
HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.71A 4c1fA-3ie1A:
10.2
4c1fB-3ie1A:
4.3		 4c1fA-3ie1A:
21.36
4c1fB-3ie1A:
21.36
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 9 HIS A  59
HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.70A 4c1hA-3ie1A:
undetectable		 4c1hA-3ie1A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 3 TYR A 189
HIS A 194
ARG A 192
 SO4  A 447 (-4.7A)
SO4  A 432 ( 4.8A)
SO4  A 432 (-4.4A)
 0.90A 4e7bC-3ie1A:
undetectable		 4e7bC-3ie1A:
25.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.64A 4exsB-3ie1A:
10.1		 4exsB-3ie1A:
19.55
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 ALA A  21
ILE A   3
LEU A 157
LYS A   1
 None
None
None
SO4  A 437 (-4.3A)
 1.23A 4g19A-3ie1A:
undetectable		 4g19A-3ie1A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 4 SER A 160
GLY A 190
GLU A 404
 None
 0.58A 4juoA-3ie1A:
undetectable
4juoC-3ie1A:
undetectable		 4juoA-3ie1A:
21.92
4juoC-3ie1A:
22.82
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.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 GLY A 348
VAL A 371
LEU A 329
PHE A 338
ILE A 321
 None
 1.16A 4pd9A-3ie1A:
undetectable		 4pd9A-3ie1A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.62A 5a5zA-3ie1A:
10.0		 5a5zA-3ie1A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		6 / 11 HIS A  59
HIS A  61
ASP A  63
HIS A  64
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.43A 5ayaA-3ie1A:
11.8		 5ayaA-3ie1A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 ASP A  63
PRO A   5
TYR A 159
LEU A 184
 ZN  A 452 (-2.5A)
None
None
None
 1.29A 5bmvB-3ie1A:
undetectable		 5bmvB-3ie1A:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 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_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 ALA A  85
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5bs8A-3ie1A:
undetectable
5bs8C-3ie1A:
undetectable
5bs8D-3ie1A:
undetectable		 5bs8A-3ie1A:
22.93
5bs8C-3ie1A:
22.93
5bs8D-3ie1A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 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_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.99A 5btdA-3ie1A:
undetectable
5btdB-3ie1A:
undetectable
5btdC-3ie1A:
undetectable		 5btdA-3ie1A:
22.93
5btdB-3ie1A:
21.09
5btdC-3ie1A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.99A 5btdA-3ie1A:
undetectable
5btdC-3ie1A:
undetectable
5btdD-3ie1A:
undetectable		 5btdA-3ie1A:
22.93
5btdC-3ie1A:
22.93
5btdD-3ie1A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5btgA-3ie1A:
undetectable
5btgB-3ie1A:
undetectable
5btgC-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgB-3ie1A:
21.09
5btgC-3ie1A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 ALA A  85
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.97A 5btgA-3ie1A:
undetectable
5btgB-3ie1A:
undetectable
5btgC-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgB-3ie1A:
21.09
5btgC-3ie1A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 7 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5btgA-3ie1A:
undetectable
5btgC-3ie1A:
undetectable
5btgD-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgC-3ie1A:
22.93
5btgD-3ie1A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 9 LEU A 322
LEU A 329
ILE A 351
PRO A 355
LEU A 367
 None
 1.23A 5g48B-3ie1A:
undetectable		 5g48B-3ie1A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 VAL A 337
HIS A 372
LEU A 374
LEU A 208
 None
 1.18A 5hrqB-3ie1A:
undetectable
5hrqI-3ie1A:
undetectable
5hrqJ-3ie1A:
undetectable		 5hrqB-3ie1A:
4.69
5hrqI-3ie1A:
2.59
5hrqJ-3ie1A:
4.69
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 10 VAL A 399
LEU A 163
ALA A 185
GLY A 410
LEU A 413
 None
None
None
FLC  A 451 ( 4.3A)
None
 1.23A 5m5cE-3ie1A:
undetectable		 5m5cE-3ie1A:
23.83
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 ASP A 162
HIS A  64
HIS A 400
HIS A 141
 ZN  A 452 ( 2.6A)
ZN  A 452 (-3.5A)
ZN  A 452 (-3.3A)
ZN  A 453 (-3.3A)
 0.93A 5nekD-3ie1A:
undetectable		 5nekD-3ie1A:
8.92
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 ASP A 162
HIS A 141
HIS A  59
HIS A 400
 ZN  A 452 ( 2.6A)
ZN  A 453 (-3.3A)
ZN  A 453 (-3.6A)
ZN  A 452 (-3.3A)
 0.90A 5nekD-3ie1A:
undetectable		 5nekD-3ie1A:
8.92
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 LEU A  27
ALA A   8
VAL A  52
HIS A  64
 None
None
None
ZN  A 452 (-3.5A)
 0.98A 5nu7A-3ie1A:
undetectable		 5nu7A-3ie1A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		6 / 10 HIS A  59
HIS A  61
HIS A  64
HIS A 141
ASP A 162
TYR A 189
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-3.5A)
ZN  A 453 (-3.3A)
ZN  A 452 ( 2.6A)
SO4  A 447 (-4.7A)
 0.51A 5nzwA-3ie1A:
20.9		 5nzwA-3ie1A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 ASP A 331
LEU A 310
SER A 370
ARG A 333
LEU A 212
 None
None
None
SO4  A 436 (-3.4A)
None
 1.36A 5syfB-3ie1A:
2.8		 5syfB-3ie1A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_H_EZLH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 VAL A 148
LEU A 121
THR A  83
ALA A  82
 None
 0.92A 5tt3H-3ie1A:
undetectable		 5tt3H-3ie1A:
19.44
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.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 3 THR A 188
GLU A 186
HIS A 141
 U  E   1 ( 4.9A)
None
ZN  A 453 (-3.3A)
 0.78A 5xioA-3ie1A:
undetectable		 5xioA-3ie1A:
19.58
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.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 3 THR A 188
GLU A 186
HIS A 141
 U  E   1 ( 4.9A)
None
ZN  A 453 (-3.3A)
 0.80A 5xiqB-3ie1A:
undetectable		 5xiqB-3ie1A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		3 / 3 THR A 188
GLU A 186
HIS A 141
 U  E   1 ( 4.9A)
None
ZN  A 453 (-3.3A)
 0.82A 5xiqD-3ie1A:
undetectable		 5xiqD-3ie1A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YOD_B_BEZB201_0
(NS3 PROTEASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 ALA A 139
SER A 145
GLY A 144
TYR A 123
 None
 1.09A 5yodB-3ie1A:
undetectable		 5yodB-3ie1A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YOD_D_BEZD201_0
(NS3 PROTEASE)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 ALA A 139
SER A 145
GLY A 144
TYR A 123
 None
 1.17A 5yodD-3ie1A:
undetectable		 5yodD-3ie1A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.69A 5zj8A-3ie1A:
10.0		 5zj8A-3ie1A:
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 5 THR A  13
HIS A  64
ASP A 162
HIS A  59
 U  E   1 ( 4.9A)
ZN  A 452 (-3.5A)
ZN  A 452 ( 2.6A)
ZN  A 453 (-3.6A)
 1.38A 6dchA-3ie1A:
undetectable		 6dchA-3ie1A:
24.17
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 6 VAL A 148
LEU A  56
LEU A 121
LEU A 129
 None
None
None
SO4  A 434 (-4.1A)
 1.07A 6f6sA-3ie1A:
undetectable
6f6sB-3ie1A:
undetectable		 6f6sA-3ie1A:
11.16
6f6sB-3ie1A:
9.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		5 / 12 GLY A 164
GLY A 140
GLY A 340
HIS A  61
PRO A 221
 None
None
SO4  A 447 (-3.3A)
ZN  A 453 (-3.4A)
None
 1.09A 6gngB-3ie1A:
2.4		 6gngB-3ie1A:
23.85
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.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3ie1 RIBONUCLEASE
TTHA0252
(Thermus
thermophilus) 		4 / 8 ASP A  63
HIS A  64
GLU A  11
GLU A 402
 ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
None
None
 1.13A 6mn4D-3ie1A:
undetectable		 6mn4D-3ie1A:
22.70