SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4q2c'

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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 ALA A 230
VAL A 235
TRP A 238
None
0.85A 1av2C-4q2cA:
undetectable
1av2D-4q2cA:
undetectable
1av2C-4q2cA:
1.96
1av2D-4q2cA:
1.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 LEU A 229
HIS A  98
ALA A  95
PHE A  94
GLY A  97
None
NI  A1001 (-3.4A)
None
None
None
1.24A 1cmaA-4q2cA:
undetectable
1cmaB-4q2cA:
undetectable
1cmaA-4q2cA:
7.87
1cmaB-4q2cA:
7.87
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.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 LEU A 493
ILE A 324
ARG A 516
VAL A 476
None
1.07A 1db1A-4q2cA:
undetectable
1db1A-4q2cA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_2
(DIHYDROFOLATE
REDUCTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 TYR A 354
ARG A 465
VAL A 504
THR A 471
None
1.16A 1dlsA-4q2cA:
0.0
1dlsA-4q2cA:
11.61
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 HIS A  98
HIS A 138
HIS A 171
ASP A 237
NI  A1001 (-3.4A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
0.95A 1e9yB-4q2cA:
undetectable
1e9yB-4q2cA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 ASP A  99
HIS A 138
HIS A 171
HIS A 172
NI  A1001 (-2.7A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1002 ( 3.3A)
1.19A 1ei6A-4q2cA:
undetectable
1ei6A-4q2cA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ASP A  99
HIS A  98
HIS A 171
HIS A  52
NI  A1001 (-2.7A)
NI  A1001 (-3.4A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
0.77A 1ei6D-4q2cA:
undetectable
1ei6D-4q2cA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 ALA A 586
LEU A 587
LEU A 583
LEU A 610
ALA A 594
None
1.12A 1h9zA-4q2cA:
undetectable
1h9zA-4q2cA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 CYH A  51
LEU A 206
ALA A 209
LEU A 210
None
0.97A 1hwiB-4q2cA:
undetectable
1hwiB-4q2cA:
18.62
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 CYH A  51
LEU A 206
ALA A 209
LEU A 210
None
0.96A 1hwiC-4q2cA:
undetectable
1hwiC-4q2cA:
18.62
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ILE A 815
PHE A 227
VAL A 462
SER A 234
None
1.04A 1kb9A-4q2cA:
undetectable
1kb9C-4q2cA:
undetectable
1kb9D-4q2cA:
undetectable
1kb9E-4q2cA:
undetectable
1kb9A-4q2cA:
20.00
1kb9C-4q2cA:
17.18
1kb9D-4q2cA:
13.95
1kb9E-4q2cA:
11.33
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 HIS A  98
ALA A  95
PHE A  94
GLY A  97
NI  A1001 (-3.4A)
None
None
None
0.68A 1mj2B-4q2cA:
undetectable
1mj2B-4q2cA:
8.82
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 HIS A  98
ALA A  95
PHE A  94
GLY A  97
NI  A1001 (-3.4A)
None
None
None
0.74A 1mj2D-4q2cA:
undetectable
1mj2D-4q2cA:
8.82
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.
1MJ2_C_SAMC2199_0
(PROTEIN (METHIONINE
REPRESSOR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 ALA A  92
PHE A  94
GLY A  96
ARG A 217
LEU A 210
None
1.07A 1mj2C-4q2cA:
undetectable
1mj2D-4q2cA:
undetectable
1mj2C-4q2cA:
8.82
1mj2D-4q2cA:
8.82
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.
1MJ2_C_SAMC2199_0
(PROTEIN (METHIONINE
REPRESSOR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 HIS A  98
ALA A  95
PHE A  94
GLY A  97
LEU A 229
NI  A1001 (-3.4A)
None
None
None
None
1.27A 1mj2C-4q2cA:
undetectable
1mj2D-4q2cA:
undetectable
1mj2C-4q2cA:
8.82
1mj2D-4q2cA:
8.82
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 HIS A  98
ALA A  95
PHE A  94
GLY A  97
NI  A1001 (-3.4A)
None
None
None
0.72A 1mjoB-4q2cA:
undetectable
1mjoB-4q2cA:
8.82
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 HIS A  98
ALA A  95
PHE A  94
GLY A  97
NI  A1001 (-3.4A)
None
None
None
0.77A 1mjoA-4q2cA:
undetectable
1mjoA-4q2cA:
8.82
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 HIS A  98
ALA A  95
PHE A  94
GLY A  97
LEU A 229
NI  A1001 (-3.4A)
None
None
None
None
1.22A 1mjoC-4q2cA:
undetectable
1mjoD-4q2cA:
undetectable
1mjoC-4q2cA:
8.82
1mjoD-4q2cA:
8.82
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 HIS A  98
ALA A  95
PHE A  94
GLY A  97
NI  A1001 (-3.4A)
None
None
None
0.70A 1mjoD-4q2cA:
undetectable
1mjoD-4q2cA:
8.82
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 LEU A 229
HIS A  98
ALA A  95
PHE A  94
GLY A  97
None
NI  A1001 (-3.4A)
None
None
None
1.18A 1mjqA-4q2cA:
undetectable
1mjqB-4q2cA:
undetectable
1mjqA-4q2cA:
8.82
1mjqB-4q2cA:
8.82
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 HIS A 172
THR A 140
GLY A 169
GLY A 173
VAL A 168
NI  A1002 ( 3.3A)
None
None
None
None
1.29A 1n2xA-4q2cA:
3.1
1n2xA-4q2cA:
14.90
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.
1NG8_A_DVAA8_0
(GRAMICIDIN A)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 GLY A 390
VAL A 388
TRP A 281
GLY A 280
None
1.15A 1ng8A-4q2cA:
undetectable
1ng8A-4q2cA:
1.63
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.
1NG8_B_DVAB8_0
(GRAMICIDIN A)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 4 GLY A 390
VAL A 388
TRP A 281
GLY A 280
None
1.15A 1ng8B-4q2cA:
undetectable
1ng8B-4q2cA:
1.63
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 ARG A 112
VAL A 120
TRP A  35
None
1.25A 1qw6A-4q2cA:
undetectable
1qw6A-4q2cA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 LEU A 203
CYH A 204
LEU A 206
ALA A 207
LEU A 212
None
1.06A 1s9pC-4q2cA:
undetectable
1s9pC-4q2cA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_1
(SUN PROTEIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 PRO A 358
ASP A 450
ASP A 483
None
0.76A 1sqfA-4q2cA:
undetectable
1sqfA-4q2cA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.35A 1sv5A-4q2cA:
undetectable
1sv5A-4q2cA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_2
(POL POLYPROTEIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 ASP A 196
GLY A 101
ILE A 141
THR A 148
None
0.85A 1t7jB-4q2cA:
undetectable
1t7jB-4q2cA:
8.22
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 LEU A 660
ASP A 626
GLY A 938
ALA A 662
None
0.93A 2aohA-4q2cA:
undetectable
2aohA-4q2cA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 PHE A  93
VAL A 201
VAL A 149
VAL A 153
None
0.97A 2qbnA-4q2cA:
undetectable
2qbnA-4q2cA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 ARG A 890
GLN A 604
PRO A 601
None
0.70A 2qhfA-4q2cA:
undetectable
2qhfA-4q2cA:
18.84
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 PHE A 154
TRP A  90
GLY A  96
GLY A  97
None
0.97A 2qr2A-4q2cA:
undetectable
2qr2B-4q2cA:
undetectable
2qr2A-4q2cA:
11.97
2qr2B-4q2cA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 TRP A  90
GLY A  96
GLY A  97
PHE A 154
None
1.02A 2qr2A-4q2cA:
undetectable
2qr2B-4q2cA:
undetectable
2qr2A-4q2cA:
11.97
2qr2B-4q2cA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 SER A 177
HIS A 461
ASP A 237
None
None
NI  A1001 ( 2.7A)
0.74A 2wa2B-4q2cA:
undetectable
2wa2B-4q2cA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 HIS A 171
ASP A 237
HIS A 138
ASP A  99
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-2.7A)
1.06A 2xadA-4q2cA:
undetectable
2xadA-4q2cA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 HIS A 171
ASP A 237
HIS A 138
ASP A  99
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-2.7A)
1.08A 2xadB-4q2cA:
undetectable
2xadB-4q2cA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 HIS A 171
ASP A 237
HIS A 138
ASP A  99
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-2.7A)
1.06A 2xadC-4q2cA:
undetectable
2xadC-4q2cA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 HIS A 171
ASP A 237
HIS A 138
ASP A  99
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-2.7A)
1.08A 2xadD-4q2cA:
undetectable
2xadD-4q2cA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_F_DVAF8_0
(GRAMICIDIN A)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 TRP A 238
VAL A 427
TRP A 432
None
1.04A 2xdcE-4q2cA:
undetectable
2xdcF-4q2cA:
undetectable
2xdcE-4q2cA:
1.96
2xdcF-4q2cA:
1.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 VAL A 414
ASP A  99
GLY A 240
HIS A 171
NI  A1003 ( 4.6A)
NI  A1001 (-2.7A)
None
NI  A1002 (-3.3A)
0.92A 3af0A-4q2cA:
undetectable
3af0A-4q2cA:
17.38
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.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 VAL A 845
ILE A 939
GLY A 938
LEU A 627
None
0.90A 3bjwB-4q2cA:
2.4
3bjwB-4q2cA:
7.82
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.
3BJW_F_SVRF509_3
(PHOSPHOLIPASE A2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 VAL A 845
ILE A 939
GLY A 938
LEU A 627
None
0.92A 3bjwF-4q2cA:
2.3
3bjwF-4q2cA:
7.82
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.
3BJW_H_SVRH511_3
(PHOSPHOLIPASE A2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 VAL A 845
ILE A 939
GLY A 938
LEU A 627
None
0.84A 3bjwH-4q2cA:
2.2
3bjwH-4q2cA:
7.82
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ARG A 637
ASP A 450
GLN A 835
GLU A 842
None
1.15A 3dh0A-4q2cA:
3.0
3dh0A-4q2cA:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ASP A 196
GLY A 101
ILE A 141
THR A 148
None
0.80A 3el9A-4q2cA:
undetectable
3el9A-4q2cA:
8.00
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 ALA A  57
LEU A 206
ILE A 100
LEU A 146
THR A  60
None
1.11A 3fl9B-4q2cA:
undetectable
3fl9B-4q2cA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
6 / 12 LEU A 747
LEU A 688
GLN A 689
LEU A 755
ARG A 564
THR A 679
None
1.42A 3ix9A-4q2cA:
undetectable
3ix9A-4q2cA:
10.82
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 LEU A 747
LEU A 688
GLN A 689
LEU A 755
THR A 679
None
1.17A 3ix9B-4q2cA:
undetectable
3ix9B-4q2cA:
10.82
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 TYR A 378
TRP A 284
LEU A 374
ASN A 386
None
1.34A 3k8mA-4q2cA:
undetectable
3k8mA-4q2cA:
20.45
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 TYR A 378
TRP A 284
LEU A 374
ASN A 386
None
1.37A 3k8mB-4q2cA:
undetectable
3k8mB-4q2cA:
20.45
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 9 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.48A 3lp0A-4q2cA:
1.1
3lp0A-4q2cA:
19.98
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.45A 3lp1A-4q2cA:
undetectable
3lp1A-4q2cA:
19.98
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ILE A 759
PRO A 328
SER A 562
PRO A 541
None
0.81A 3lslA-4q2cA:
undetectable
3lslD-4q2cA:
undetectable
3lslA-4q2cA:
12.76
3lslD-4q2cA:
12.76
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 PRO A 541
ILE A 759
PRO A 328
SER A 562
None
0.86A 3lslA-4q2cA:
undetectable
3lslD-4q2cA:
undetectable
3lslA-4q2cA:
12.76
3lslD-4q2cA:
12.76
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ILE A 659
ALA A 584
LEU A 583
LEU A 606
None
0.62A 3ozwA-4q2cA:
2.3
3ozwA-4q2cA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.43A 3qipA-4q2cA:
undetectable
3qipA-4q2cA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 THR A 739
ASP A 685
GLU A 667
None
0.71A 3qowA-4q2cA:
undetectable
3qowA-4q2cA:
18.24
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.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 VAL A 600
ARG A 637
VAL A 884
ILE A 939
None
1.01A 3remA-4q2cA:
undetectable
3remA-4q2cA:
7.34
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 VAL A 600
ARG A 637
VAL A 884
ILE A 939
None
1.04A 3remB-4q2cA:
undetectable
3remB-4q2cA:
7.34
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.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 8 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.34A 3v81C-4q2cA:
undetectable
3v81C-4q2cA:
19.83
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.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 HIS A 172
HIS A 171
ASP A 237
HIS A 138
HIS A  52
NI  A1002 ( 3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
1.16A 4c1dB-4q2cA:
undetectable
4c1dB-4q2cA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 HIS A 172
HIS A 171
ASP A 237
HIS A 138
HIS A  52
NI  A1002 ( 3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
1.25A 4c1fA-4q2cA:
undetectable
4c1fB-4q2cA:
undetectable
4c1fA-4q2cA:
11.67
4c1fB-4q2cA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 9 HIS A 172
HIS A 171
ASP A 237
HIS A 138
HIS A  52
NI  A1002 ( 3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
1.14A 4c1hA-4q2cA:
undetectable
4c1hA-4q2cA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 ARG A 771
ARG A 781
TRP A 784
None
1.47A 4cpzH-4q2cA:
undetectable
4cpzH-4q2cA:
18.82
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 LEU A 466
LEU A 229
ARG A  75
ILE A 807
ILE A 818
None
1.13A 4j24A-4q2cA:
undetectable
4j24A-4q2cA:
14.42
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.
4J24_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 LEU A 466
LEU A 229
ARG A  75
ILE A 807
ILE A 818
None
1.12A 4j24B-4q2cA:
undetectable
4j24B-4q2cA:
14.42
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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 LEU A 694
ARG A 693
MET A 360
None
0.87A 4m11C-4q2cA:
0.9
4m11C-4q2cA:
19.11
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.
4M83_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 VAL A 763
TYR A 540
LEU A 519
ALA A 509
SER A 508
None
1.48A 4m83A-4q2cA:
undetectable
4m83A-4q2cA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 VAL A 474
ALA A 356
LEU A 453
LEU A 490
None
0.79A 4o0uA-4q2cA:
undetectable
4o0uA-4q2cA:
15.06
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 SER A 854
ALA A 852
VAL A 851
None
0.48A 4o2bA-4q2cA:
undetectable
4o2bA-4q2cA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PUO_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 9 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
None
1.32A 4puoA-4q2cA:
undetectable
4puoA-4q2cA:
19.83
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.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 LEU A  91
VAL A  82
TRP A  72
LEU A 229
None
1.11A 4pwdC-4q2cA:
undetectable
4pwdC-4q2cA:
19.83
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 GLY A 158
ALA A 161
PHE A 166
ALA A 143
VAL A 181
None
1.44A 4ryaA-4q2cA:
undetectable
4ryaA-4q2cA:
18.44
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 6 HIS A  98
HIS A  52
HIS A 138
HIS A 171
ASP A 237
NI  A1001 (-3.4A)
NI  A1001 (-3.2A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
1.02A 4ubpC-4q2cA:
undetectable
4ubpC-4q2cA:
21.02
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 6 ARG A 707
LEU A 708
ALA A 593
MET A 677
LEU A 694
None
1.40A 4wboC-4q2cA:
undetectable
4wboC-4q2cA:
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 SER A 854
ALA A 852
VAL A 851
None
0.58A 4x1iA-4q2cA:
undetectable
4x1iA-4q2cA:
18.30
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 LEU A 202
GLU A 200
MET A 194
LEU A 129
None
1.35A 4xi3B-4q2cA:
undetectable
4xi3B-4q2cA:
14.39
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 ARG A 704
ARG A 564
ARG A 696
ASP A 673
None
1.27A 4xqeA-4q2cA:
undetectable
4xqeA-4q2cA:
21.45
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 ARG A 704
ARG A 564
ARG A 696
ASP A 673
None
1.25A 4xqeB-4q2cA:
undetectable
4xqeB-4q2cA:
21.45
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 SER A 854
ALA A 852
VAL A 851
None
0.57A 5eypA-4q2cA:
undetectable
5eypA-4q2cA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 THR A 739
ASP A 685
GLU A 667
None
0.75A 5fa8A-4q2cA:
undetectable
5fa8A-4q2cA:
9.84
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 LEU A 357
TYR A 354
SER A 392
None
0.89A 5iktA-4q2cA:
undetectable
5iktA-4q2cA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 LEU A 753
ARG A 750
ALA A 746
PRO A 328
None
0.86A 5m0oC-4q2cA:
undetectable
5m0oC-4q2cA:
19.27
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.
5MVM_A_PFLA510_1
(PROTON-GATED ION
CHANNEL)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 9 ILE A 596
ALA A 594
ILE A 595
ALA A 603
LEU A 606
None
1.14A 5mvmA-4q2cA:
undetectable
5mvmE-4q2cA:
undetectable
5mvmA-4q2cA:
5.81
5mvmE-4q2cA:
5.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 VAL A 317
GLU A 316
LEU A 296
LEU A 339
ALA A 314
None
1.20A 5nd3B-4q2cA:
undetectable
5nd3B-4q2cA:
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 8 ASP A  99
HIS A 171
HIS A 138
HIS A  52
NI  A1001 (-2.7A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
0.99A 5nekB-4q2cA:
undetectable
5nekB-4q2cA:
6.59
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 VAL A 476
LYS A 472
MET A 350
None
0.91A 5nknA-4q2cA:
undetectable
5nknA-4q2cA:
5.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 HIS A  98
HIS A  52
HIS A 171
ASP A 237
HIS A 172
NI  A1001 (-3.4A)
NI  A1001 (-3.2A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 ( 3.3A)
1.18A 5nzwA-4q2cA:
2.2
5nzwA-4q2cA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 11 LEU A 469
GLU A 495
GLY A 498
ARG A 492
ALA A 455
None
0.99A 5o96A-4q2cA:
undetectable
5o96B-4q2cA:
undetectable
5o96A-4q2cA:
14.66
5o96B-4q2cA:
14.66
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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 ARG A 707
ALA A 586
LEU A 587
GLY A 590
LEU A 937
None
1.24A 5oy01-4q2cA:
undetectable
5oy07-4q2cA:
undetectable
5oy01-4q2cA:
7.77
5oy07-4q2cA:
3.62
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 ARG A 611
TYR A 607
GLU A 936
ARG A 932
None
0.93A 5umwB-4q2cA:
undetectable
5umwE-4q2cA:
undetectable
5umwB-4q2cA:
8.56
5umwE-4q2cA:
8.56
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 VAL A 414
GLY A 413
ALA A 429
SER A 241
ASN A 242
NI  A1003 ( 4.6A)
None
None
NI  A1003 ( 4.8A)
None
0.82A 5x6yB-4q2cA:
undetectable
5x6yB-4q2cA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 6 GLU A 641
LEU A 628
LEU A 645
LEU A 670
None
1.02A 5yvnA-4q2cA:
undetectable
5yvnA-4q2cA:
13.87
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.
5ZRD_A_CUA607_0
(TYROSINASE)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 HIS A 172
HIS A 171
HIS A 138
NI  A1002 ( 3.3A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
0.47A 5zrdA-4q2cA:
undetectable
5zrdA-4q2cA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 12 LEU A 493
VAL A 502
LEU A 500
VAL A 456
ALA A 455
None
0.82A 6ajiA-4q2cA:
undetectable
6ajiA-4q2cA:
23.01
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 HIS A 697
HIS A 700
ARG A 704
None
1.02A 6b58A-4q2cA:
undetectable
6b58A-4q2cA:
22.78
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 5 VAL A 506
LEU A 494
VAL A 456
LEU A 469
None
0.95A 6bqgA-4q2cA:
undetectable
6bqgA-4q2cA:
6.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_F_EY4F500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
4 / 7 ALA A 337
THR A 334
ILE A 324
VAL A 505
None
0.95A 6cduF-4q2cA:
undetectable
6cduJ-4q2cA:
undetectable
6cduF-4q2cA:
15.80
6cduJ-4q2cA:
15.80
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
3 / 3 TYR A 415
HIS A 138
PHE A 107
None
NI  A1002 (-3.3A)
None
1.04A 6esmA-4q2cA:
undetectable
6esmA-4q2cA:
6.27
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum)
5 / 10 ARG A 707
ALA A 586
LEU A 587
GLY A 590
LEU A 937
None
1.31A 6hqbA-4q2cA:
undetectable
6hqbJ-4q2cA:
undetectable
6hqbA-4q2cA:
6.40
6hqbJ-4q2cA:
3.62