SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i9v'

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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 VAL 3 511
VAL 3 532
LEU 3 481
LEU 3 477
None
0.76A 1cqpA-3i9v3:
3.6
1cqpB-3i9v3:
3.3
1cqpA-3i9v3:
13.17
1cqpB-3i9v3:
13.17
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 LEU 4 133
ALA 4 149
ILE 4 290
ARG 4 200
ILE 4 201
None
1.14A 1crbA-3i9v4:
undetectable
1crbA-3i9v4:
17.05
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.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
None
None
None
SF4  1 439 ( 3.3A)
None
1.45A 1e3vA-3i9v1:
undetectable
1e3vA-3i9v1:
16.01
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.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 11 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
None
None
None
SF4  1 439 ( 3.3A)
None
1.41A 1e3vB-3i9v1:
0.0
1e3vB-3i9v1:
16.01
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 5 ARG 4 249
ALA 4 349
ASP 4 247
GLY 4 237
None
1.05A 1e7bA-3i9v4:
undetectable
1e7bA-3i9v4:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 5 ARG 4 249
ALA 4 349
ASP 4 247
GLY 4 237
None
0.97A 1e7cA-3i9v4:
1.9
1e7cA-3i9v4:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
0.80A 1ekjA-3i9v2:
undetectable
1ekjB-3i9v2:
undetectable
1ekjA-3i9v2:
21.59
1ekjB-3i9v2:
21.59
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
0.85A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable
1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 CYH 2  83
VAL 2 133
GLY 2 126
TYR 2 141
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
None
0.84A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable
1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 CYH 2  88
VAL 2 133
GLY 2 126
TYR 2 141
FES  2 182 (-2.3A)
None
FES  2 182 (-4.3A)
None
1.29A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable
1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
0.87A 1ekjE-3i9v2:
undetectable
1ekjF-3i9v2:
undetectable
1ekjE-3i9v2:
21.59
1ekjF-3i9v2:
21.59
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.
1G5Y_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 ALA 3 357
LEU 3 641
LEU 3 664
ALA 3 663
LEU 3 351
None
1.23A 1g5yB-3i9v3:
undetectable
1g5yB-3i9v3:
15.62
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.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 PHE 3 202
GLY 3 212
ARG 7  88
VAL 3 164
SF4  3 785 ( 4.8A)
None
None
None
0.99A 1gsfC-3i9v3:
undetectable
1gsfC-3i9v3:
14.76
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 7 VAL 4 187
LEU 4 294
LEU 4 123
VAL 4 163
None
0.95A 1jgsA-3i9v4:
undetectable
1jgsA-3i9v4:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 10 ALA 1 423
VAL 1 338
ILE 1 374
GLY 1 379
GLY 1 377
None
1.05A 1k6cA-3i9v1:
undetectable
1k6cA-3i9v1:
14.15
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.
1MJL_B_SAMB400_0
(METHIONINE REPRESSOR
PROTEIN METJ)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
5 / 9 ARG 9 167
GLU 9 105
HIS 9  41
LEU 9 115
PHE 9 173
None
None
SF4  9 183 (-4.5A)
None
None
1.48A 1mjlA-3i9v9:
undetectable
1mjlB-3i9v9:
undetectable
1mjlA-3i9v9:
20.32
1mjlB-3i9v9:
20.32
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 TYR 4 246
LEU 4 239
ALA 4 229
LEU 4 232
PHE 5  89
None
1.30A 1mx8A-3i9v4:
undetectable
1mx8A-3i9v4:
17.05
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 9 GLY 1 194
PRO 2  19
GLU 2  21
GLY 2  22
GLY 1 213
None
1.05A 1mxdA-3i9v1:
undetectable
1mxdA-3i9v1:
19.28
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2  69
GLU 1 137
GLN 2  35
TYR 1 133
None
1.11A 1nx9A-3i9v2:
undetectable
1nx9A-3i9v2:
14.53
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 ARG 3 469
TYR 3 759
GLU 3 472
SER 3 487
None
1.22A 1nx9A-3i9v3:
undetectable
1nx9A-3i9v3:
20.49
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2  69
GLU 1 137
GLN 2  35
TYR 1 133
None
1.11A 1nx9B-3i9v2:
undetectable
1nx9B-3i9v2:
14.53
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 ARG 3 469
TYR 3 759
GLU 3 472
SER 3 487
None
1.24A 1nx9B-3i9v3:
undetectable
1nx9B-3i9v3:
20.49
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2  69
GLU 1 137
GLN 2  35
TYR 1 133
None
1.10A 1nx9C-3i9v2:
undetectable
1nx9C-3i9v2:
14.53
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 ARG 3 469
TYR 3 759
GLU 3 472
SER 3 487
None
1.22A 1nx9C-3i9v3:
undetectable
1nx9C-3i9v3:
20.49
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 TYR 2  69
GLU 1 137
GLN 2  35
TYR 1 133
None
1.12A 1nx9D-3i9v2:
undetectable
1nx9D-3i9v2:
14.53
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 ARG 3 469
TYR 3 759
GLU 3 472
SER 3 487
None
1.21A 1nx9D-3i9v3:
undetectable
1nx9D-3i9v3:
20.49
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
5 / 12 CYH 9  98
ASP 9 118
GLY 9 116
ILE 9 113
ALA 9  60
SF4  9 183 (-2.2A)
None
None
SF4  9 184 (-4.0A)
None
1.19A 1oltA-3i9v9:
undetectable
1oltA-3i9v9:
18.02
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.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 4 ALA 1 349
VAL 1 363
ALA 1 364
HIS 3 208
None
1.16A 1q23A-3i9v1:
undetectable
1q23A-3i9v1:
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.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 4 ALA 1 349
VAL 1 363
ALA 1 364
HIS 3 208
None
1.22A 1q23F-3i9v1:
undetectable
1q23F-3i9v1:
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.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 4 ALA 1 349
VAL 1 363
ALA 1 364
HIS 3 208
None
1.18A 1q23K-3i9v1:
undetectable
1q23K-3i9v1:
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 ARG 3 455
VAL 3 748
TRP 3 717
None
1.00A 1qw6A-3i9v3:
undetectable
1qw6A-3i9v3:
20.61
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 GLY 3 294
ASN 3 225
ILE 3 226
LEU 3 200
VAL 3 199
SF4  3 786 (-3.4A)
None
None
None
None
1.08A 1r30A-3i9v3:
undetectable
1r30A-3i9v3:
19.53
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 GLY 3 294
ASN 3 225
ILE 3 226
LEU 3 200
VAL 3 199
SF4  3 786 (-3.4A)
None
None
None
None
1.08A 1r30B-3i9v3:
undetectable
1r30B-3i9v3:
19.53
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 LEU 3 602
TRP 3 322
GLY 3 636
TYR 3 567
None
0.87A 1rmtC-3i9v3:
2.6
1rmtC-3i9v3:
12.85
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1 234
ILE 1 230
TRP 1 237
SER 1  60
None
1.26A 1rs7A-3i9v1:
undetectable
1rs7A-3i9v1:
23.23
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 ARG 3 455
VAL 3 748
TRP 3 717
None
1.01A 1vagA-3i9v3:
undetectable
1vagA-3i9v3:
20.61
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 ASP 4  86
GLU 4 282
TYR 4 257
None
0.83A 1wsvA-3i9v4:
undetectable
1wsvA-3i9v4:
24.26
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 ILE 3 506
LEU 3 617
ALA 3 406
GLU 3 405
None
1.09A 1xvaA-3i9v3:
3.2
1xvaB-3i9v3:
2.9
1xvaA-3i9v3:
16.82
1xvaB-3i9v3:
16.82
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 ARG 3 455
VAL 3 748
TRP 3 717
None
1.01A 1zviA-3i9v3:
undetectable
1zviA-3i9v3:
20.61
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
5 / 12 LEU 5 136
ILE 4  59
ASP 5 131
PHE 5 113
PHE 4 375
None
1.14A 1zz1B-3i9v5:
undetectable
1zz1C-3i9v5:
undetectable
1zz1B-3i9v5:
19.95
1zz1C-3i9v5:
19.95
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.
1ZZQ_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 4 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.00A 1zzqA-3i9v1:
0.0
1zzqA-3i9v1:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.01A 1zzqB-3i9v1:
undetectable
1zzqB-3i9v1:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
0.99A 1zzuA-3i9v1:
undetectable
1zzuA-3i9v1:
22.31
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.
2A68_C_RBTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
5 / 11 GLN 4 166
HIS 9  38
PRO 9  64
ILE 9  99
ASP 4  94
None
None
None
SF4  9 183 (-4.3A)
None
1.28A 2a68C-3i9v4:
0.4
2a68F-3i9v4:
1.5
2a68C-3i9v4:
18.34
2a68F-3i9v4:
22.83
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 LEU 3 355
LEU 3 351
LEU 3 544
LEU 3 369
None
1.03A 2ab2A-3i9v3:
undetectable
2ab2A-3i9v3:
15.92
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.
2AOW_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
4 / 7 PHE 9 119
GLU 9 120
GLN 9 146
TYR 9 131
None
1.28A 2aowA-3i9v9:
undetectable
2aowA-3i9v9:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 8 ALA 1 425
GLU 1 427
SER 1 336
VAL 1 338
None
0.89A 2bxgA-3i9v1:
undetectable
2bxgA-3i9v1:
22.48
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 ARG 3 679
GLU 3 682
PRO 3 378
ALA 3 377
None
1.35A 2ejgA-3i9v3:
undetectable
2ejgA-3i9v3:
14.80
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.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 9 LEU 4 105
LEU 4 104
ILE 4 357
ILE 4 175
TYR 4  97
None
1.29A 2f7aA-3i9v4:
undetectable
2f7aA-3i9v4:
20.78
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 11 GLY 1 294
SER 1 296
ASP 1  94
THR 1 325
GLY 1  67
None
None
FMN  1 440 (-4.4A)
None
None
1.22A 2hmaA-3i9v1:
undetectable
2hmaA-3i9v1:
22.15
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 PHE 3 740
ALA 3 762
SER 3 761
ALA 3 714
ALA 3 766
None
1.18A 2igtC-3i9v3:
2.4
2igtC-3i9v3:
19.36
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.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 ALA 1 406
GLY 1 362
SER 1 398
None
None
SF4  1 439 ( 4.5A)
0.58A 2ivuA-3i9v1:
undetectable
2ivuA-3i9v1:
23.87
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.
2J2P_A_SC2A1290_1
(FICOLIN-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 5 ASP 5  19
LEU 5  22
GLY 5  23
ARG 5 193
None
1.23A 2j2pA-3i9v5:
undetectable
2j2pB-3i9v5:
undetectable
2j2pA-3i9v5:
20.92
2j2pB-3i9v5:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_E_SC2E1289_1
(FICOLIN-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 ASP 3 237
ARG 3 295
ASP 3 292
ASP 3 228
None
1.18A 2j2pE-3i9v3:
undetectable
2j2pF-3i9v3:
undetectable
2j2pE-3i9v3:
13.97
2j2pF-3i9v3:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_E_SC2E1291_1
(FICOLIN-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 4 ASP 5  19
LEU 5  22
GLY 5  23
ARG 5 193
None
1.27A 2j2pD-3i9v5:
undetectable
2j2pE-3i9v5:
undetectable
2j2pD-3i9v5:
20.92
2j2pE-3i9v5:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J9C_A_ACTA1121_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 VAL 3  50
SER 3  18
VAL 3  87
SER 3  82
None
1.18A 2j9cA-3i9v3:
undetectable
2j9cB-3i9v3:
undetectable
2j9cC-3i9v3:
undetectable
2j9cA-3i9v3:
11.23
2j9cB-3i9v3:
11.23
2j9cC-3i9v3:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
None
0.89A 2v2gA-3i9v3:
undetectable
2v2gB-3i9v3:
undetectable
2v2gA-3i9v3:
16.09
2v2gB-3i9v3:
16.09
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
None
0.87A 2v2gA-3i9v3:
undetectable
2v2gB-3i9v3:
undetectable
2v2gA-3i9v3:
16.09
2v2gB-3i9v3:
16.09
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
None
0.88A 2v2gC-3i9v3:
undetectable
2v2gD-3i9v3:
undetectable
2v2gC-3i9v3:
16.09
2v2gD-3i9v3:
16.09
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
None
0.90A 2v2gC-3i9v3:
undetectable
2v2gD-3i9v3:
undetectable
2v2gC-3i9v3:
16.09
2v2gD-3i9v3:
16.09
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
None
0.84A 2v32A-3i9v3:
undetectable
2v32B-3i9v3:
undetectable
2v32A-3i9v3:
16.09
2v32B-3i9v3:
16.09
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
None
0.84A 2v32A-3i9v3:
undetectable
2v32B-3i9v3:
undetectable
2v32A-3i9v3:
16.09
2v32B-3i9v3:
16.09
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
None
0.82A 2v32C-3i9v3:
undetectable
2v32D-3i9v3:
undetectable
2v32C-3i9v3:
16.09
2v32D-3i9v3:
16.09
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
None
0.89A 2v41E-3i9v3:
undetectable
2v41F-3i9v3:
undetectable
2v41E-3i9v3:
16.09
2v41F-3i9v3:
16.09
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
None
0.97A 2v41E-3i9v3:
undetectable
2v41F-3i9v3:
undetectable
2v41E-3i9v3:
16.09
2v41F-3i9v3:
16.09
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
None
0.83A 2v41G-3i9v3:
undetectable
2v41H-3i9v3:
undetectable
2v41G-3i9v3:
16.09
2v41H-3i9v3:
16.09
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
3 / 3 HIS 9  41
MET 9 136
MET 9  95
SF4  9 183 (-4.5A)
None
None
1.31A 2vj1A-3i9v9:
undetectable
2vj1A-3i9v9:
17.55
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 LEU 3 355
LEU 3 664
ALA 3 660
HIS 3 613
None
1.08A 2wekA-3i9v3:
3.7
2wekA-3i9v3:
18.83
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.
2XPV_A_MIYA1209_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 HIS 4  89
ASN 4 121
HIS 4 129
THR 4 346
SER 4 286
None
1.26A 2xpvA-3i9v4:
1.2
2xpvA-3i9v4:
20.69
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 HIS 4  89
SER 4 124
ASN 4 121
HIS 4  93
ILE 4 173
None
1.48A 2xpwA-3i9v4:
1.2
2xpwA-3i9v4:
20.69
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 8 LYS 4 369
LEU 5  49
ASP 5 106
GLU 5 117
None
1.10A 2zw9A-3i9v4:
undetectable
2zw9A-3i9v4:
21.63
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.
3ADS_A_IMNA1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 10 ARG 3 178
ILE 3 211
ARG 3 186
LEU 3  39
ILE 3 226
None
SF4  3 785 ( 4.5A)
None
None
None
1.46A 3adsA-3i9v3:
undetectable
3adsA-3i9v3:
17.18
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 GLN 3 703
GLY 3 297
HIS 3 702
HIS 3 589
None
1.26A 3ai8B-3i9v3:
undetectable
3ai8B-3i9v3:
14.49
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 LEU 3 176
GLY 3 233
LEU 3 170
SER 3 171
None
SF4  3 784 (-4.2A)
None
None
0.65A 3aiaA-3i9v3:
undetectable
3aiaA-3i9v3:
12.47
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.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
6 / 12 PHE 3 451
GLY 3 400
GLY 3 508
LEU 3 507
ALA 3 509
VAL 3 511
None
1.25A 3av6A-3i9v3:
2.3
3av6A-3i9v3:
20.36
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.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 GLY 1 324
GLY 1  67
ILE 1 329
GLY 1 326
GLY 1 293
None
1.09A 3axzA-3i9v1:
undetectable
3axzA-3i9v1:
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
3 / 3 SER 4 359
GLY 4 362
GLY 5 191
None
0.55A 3bogA-3i9v4:
undetectable
3bogC-3i9v4:
undetectable
3bogA-3i9v4:
undetectable
3bogC-3i9v4:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 4 SER 4 359
GLY 4 340
GLY 4 362
GLY 5 191
None
0.72A 3bogB-3i9v4:
undetectable
3bogD-3i9v4:
undetectable
3bogB-3i9v4:
undetectable
3bogD-3i9v4:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_C_478C200_1
(PROTEASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
6 / 10 LEU 3 617
ASP 3 348
GLY 3 294
ILE 3 290
PRO 3 407
ALA 3 406
None
None
SF4  3 786 (-3.4A)
SF4  3 786 ( 4.1A)
SF4  3 786 (-3.7A)
None
1.44A 3ekpC-3i9v3:
undetectable
3ekpC-3i9v3:
8.05
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.
3FGR_A_ACTA22_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2 28 KDA FORM)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 4 TRP 1 212
ARG 2  24
GLU 1 193
LEU 1 195
None
1.09A 3fgrA-3i9v1:
0.0
3fgrA-3i9v1:
18.26
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.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 VAL 3   6
VAL 3  30
PHE 3  24
VAL 3   4
None
1.01A 3fhxB-3i9v3:
3.2
3fhxB-3i9v3:
16.32
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.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 7 LEU 2 154
LEU 2 125
VAL 2 142
LEU 2  96
None
FES  2 182 (-4.8A)
None
None
0.88A 3g8iA-3i9v2:
undetectable
3g8iA-3i9v2:
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 LEU 3 397
PRO 3 402
GLY 3 508
MET 3 535
None
1.12A 3hcnA-3i9v3:
undetectable
3hcnA-3i9v3:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
4 / 8 TYR 9 161
TYR 9 117
PHE 9 173
LEU 9 170
None
0.93A 3i45A-3i9v9:
undetectable
3i45A-3i9v9:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 6 LEU 1  17
GLU 1 265
SER 1 226
PHE 1 238
None
1.11A 3i9jB-3i9v1:
undetectable
3i9jB-3i9v1:
21.49
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
4 / 4 ILE 7  41
ARG 3 241
ILE 9  54
THR 7  53
None
None
SF4  9 184 (-4.5A)
None
1.28A 3ia4C-3i9v7:
undetectable
3ia4C-3i9v7:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQZ_A_LQZA586_1
(SERUM ALBUMIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 ARG 1 433
ASP 2  98
ARG 1 346
LYS 2 121
None
1.19A 3jqzA-3i9v1:
3.3
3jqzA-3i9v1:
22.48
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 7 GLU 5  73
GLU 4 352
TYR 4 252
TYR 4 343
None
0.81A 3ku9B-3i9v5:
undetectable
3ku9B-3i9v5:
20.95
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 7 GLU 5 117
TYR 4 355
GLU 4  67
PHE 5 122
None
1.32A 3ku9B-3i9v5:
undetectable
3ku9B-3i9v5:
20.95
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 SER 4 128
ASP 4 401
ASN 4 377
None
0.94A 3lsfB-3i9v4:
undetectable
3lsfE-3i9v4:
undetectable
3lsfB-3i9v4:
20.62
3lsfE-3i9v4:
20.62
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 ASP 4 401
ASN 4 377
SER 4 128
None
0.94A 3lsfB-3i9v4:
undetectable
3lsfE-3i9v4:
undetectable
3lsfB-3i9v4:
20.62
3lsfE-3i9v4:
20.62
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 GLY 1 396
TRP 1 408
VAL 1 407
None
0.64A 3n62B-3i9v1:
undetectable
3n62B-3i9v1:
22.49
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 GLY 1 396
TRP 1 408
VAL 1 407
None
0.64A 3n65B-3i9v1:
undetectable
3n65B-3i9v1:
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 GLY 1 396
TRP 1 408
VAL 1 407
None
0.64A 3n66B-3i9v1:
undetectable
3n66B-3i9v1:
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 LEU 1 251
GLY 1 326
GLU 1  97
GLY 1 327
ILE 1 106
None
0.97A 3nk7A-3i9v1:
2.3
3nk7A-3i9v1:
23.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 8 ALA 2 152
LEU 2 154
LEU 2  80
PRO 2 169
None
0.83A 3ozwA-3i9v2:
undetectable
3ozwA-3i9v2:
18.69
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 12 ALA 2 152
LEU 2 154
LEU 2  80
GLY 2 170
PRO 2 169
None
0.92A 3ozwB-3i9v2:
undetectable
3ozwB-3i9v2:
18.69
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
3 / 3 TYR 5 184
TYR 3 137
GLU 3 129
None
0.77A 3pfgA-3i9v5:
undetectable
3pfgA-3i9v5:
25.63
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.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 LYS 1 250
SER 1 100
GLN 1 253
None
1.37A 3si7A-3i9v1:
undetectable
3si7A-3i9v1:
20.04
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 11 ILE 3 211
GLY 3 212
THR 2  58
LEU 3 218
PHE 3 191
SF4  3 785 ( 4.5A)
None
None
None
None
1.05A 3t3rA-3i9v3:
undetectable
3t3rA-3i9v3:
20.76
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.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 5 ILE 1 254
PRO 1 261
SER 2 127
GLY 1 262
None
None
FES  2 182 (-4.4A)
None
1.14A 3tkdB-3i9v1:
undetectable
3tkdB-3i9v1:
20.00
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.
3UJ6_A_SAMA300_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 4 SER 9  57
ASP 3 123
ASP 3 237
ALA 3 244
None
1.30A 3uj6A-3i9v9:
undetectable
3uj6A-3i9v9:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 TYR 1 180
SER 1 100
ASP 1  94
ILE 1 218
FMN  1 440 ( 4.1A)
None
FMN  1 440 (-4.4A)
None
1.18A 3uj7B-3i9v1:
undetectable
3uj7B-3i9v1:
20.67
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus;
Thermus
thermophilus)
3 / 3 ARG 1 196
GLU 3 204
THR 3 209
None
0.79A 3v4tA-3i9v1:
undetectable
3v4tA-3i9v1:
22.95
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.
3VYW_A_SAMA501_1
(MNMC2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 6 HIS 2 174
ASP 1  30
ASP 1 109
GLU 1 151
None
1.28A 3vywA-3i9v2:
undetectable
3vywA-3i9v2:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_0
(MNMC2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 HIS 3 468
GLY 3 510
LEU 3 399
GLY 3 400
ALA 3 376
None
1.10A 3vywC-3i9v3:
3.4
3vywC-3i9v3:
18.26
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.
3VYW_D_SAMD401_0
(MNMC2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 TYR 1 313
GLY 1 248
GLY 1 242
LYS 1 250
LEU 1  62
None
1.09A 3vywD-3i9v1:
undetectable
3vywD-3i9v1:
23.41
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.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 GLU 3 273
GLY 3 272
LEU 3 275
GLU 3 250
None
0.84A 3w9tB-3i9v3:
undetectable
3w9tB-3i9v3:
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.
3W9T_E_W9TE502_1
(HEMOLYTIC LECTIN
CEL-III)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 GLU 3 273
GLY 3 272
LEU 3 275
GLU 3 250
None
0.84A 3w9tE-3i9v3:
undetectable
3w9tE-3i9v3:
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.
3W9T_F_W9TF503_1
(HEMOLYTIC LECTIN
CEL-III)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 GLU 3 273
GLY 3 272
LEU 3 275
GLU 3 250
None
0.84A 3w9tF-3i9v3:
undetectable
3w9tF-3i9v3:
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.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 LEU 4 126
LEU 4 133
ILE 4 201
TYR 4 204
PHE 4 208
None
1.45A 4a79A-3i9v4:
undetectable
4a79A-3i9v4:
24.36
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.
4A79_B_P1BB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 LEU 4 126
LEU 4 133
ILE 4 201
TYR 4 204
PHE 4 208
None
1.43A 4a79B-3i9v4:
undetectable
4a79B-3i9v4:
24.36
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 11 LEU 4 126
LEU 4 133
ILE 4 201
TYR 4 204
PHE 4 208
None
1.44A 4a7aA-3i9v4:
undetectable
4a7aA-3i9v4:
24.36
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
4 / 6 GLU 7  98
LYS 7 101
PRO 7 109
LYS 7 107
None
1.39A 4a7tA-3i9v7:
undetectable
4a7tA-3i9v7:
17.95
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.
4ABZ_A_T1CA1209_1
(TETRACYCLINE
REPRESSOR CLASS D)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 HIS 4  89
ASN 4 121
HIS 4 129
THR 4 346
SER 4 286
None
1.28A 4abzA-3i9v4:
1.2
4abzA-3i9v4:
20.69
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 6 HIS 3 168
HIS 3 167
GLU 7  32
SER 7  60
CA  3 790 (-4.3A)
MN  3 789 (-3.4A)
CA  3 790 ( 3.4A)
CA  3 790 ( 3.9A)
1.09A 4apjA-3i9v3:
undetectable
4apjP-3i9v3:
undetectable
4apjA-3i9v3:
20.85
4apjP-3i9v3:
4.53
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 ALA 5 111
PHE 4 375
ARG 4 409
GLU 4  67
VAL 5 118
None
1.29A 4azsA-3i9v5:
undetectable
4azsA-3i9v5:
16.17
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.
4AZW_A_SAMA1451_0
(WBDD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 ALA 5 111
PHE 4 375
ARG 4 409
GLU 4  67
VAL 5 118
None
1.26A 4azwA-3i9v5:
undetectable
4azwA-3i9v5:
19.23
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 LEU 3 477
GLY 3 471
GLY 3 690
LEU 3 399
GLY 3 508
None
1.16A 4blvA-3i9v3:
3.5
4blvA-3i9v3:
17.32
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.09A 4d33A-3i9v1:
undetectable
4d33A-3i9v1:
23.63
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.07A 4d33B-3i9v1:
undetectable
4d33B-3i9v1:
23.63
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.
4D39_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 4 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.08A 4d39A-3i9v1:
0.0
4d39A-3i9v1:
23.63
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 6 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
None
None
None
SF4  1 439 ( 4.5A)
1.06A 4d39B-3i9v1:
undetectable
4d39B-3i9v1:
23.63
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.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
5 / 10 ARG 4 409
GLY 5  54
VAL 5 118
GLU 5 117
VAL 5  70
None
1.27A 4da7A-3i9v4:
undetectable
4da7A-3i9v4:
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
5 / 12 ARG 4 409
GLY 5  54
VAL 5 118
GLU 5 117
VAL 5  70
None
1.25A 4danA-3i9v4:
undetectable
4danB-3i9v4:
undetectable
4danA-3i9v4:
19.51
4danB-3i9v4:
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
4 / 6 THR 2 130
HIS 2 174
HIS 2 175
TYR 1 105
None
1.43A 4df2A-3i9v2:
undetectable
4df2A-3i9v2:
17.27
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 11 VAL 3 615
LEU 3 351
THR 3 350
GLU 3 545
ALA 3 546
None
1.22A 4e0fA-3i9v3:
undetectable
4e0fA-3i9v3:
12.77
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.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 TYR 1  31
HIS 1  35
ARG 1  34
None
0.81A 4e7bC-3i9v1:
undetectable
4e7bC-3i9v1:
22.95
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.
4EJ1_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
4 / 4 GLU 4 333
ASP 3 132
ARG 3 245
THR 5 182
None
0.94A 4ej1A-3i9v4:
undetectable
4ej1A-3i9v4:
16.34
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.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 LEU 2  31
ILE 2  49
ALA 2  50
GLY 3 212
ALA 2  64
None
0.96A 4enhA-3i9v2:
undetectable
4enhA-3i9v2:
17.49
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
5 / 12 GLU 5 115
GLY 5 128
VAL 5  90
TYR 5  72
VAL 5  92
None
1.26A 4ffwA-3i9v5:
undetectable
4ffwA-3i9v5:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
3 / 3 ARG 5 189
TYR 3 140
ASN 4 306
None
0.91A 4ffwB-3i9v5:
undetectable
4ffwB-3i9v5:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIM_A_CELA711_1
(LACTOTRANSFERRIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 9 GLU 4 341
GLY 4 340
PRO 4 338
GLU 4 102
GLY 4 106
None
1.07A 4fimA-3i9v4:
undetectable
4fimA-3i9v4:
19.76
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.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 LEU 3 638
LEU 3 641
LEU 3 644
ALA 3 645
ALA 3 361
None
0.96A 4fn9A-3i9v3:
undetectable
4fn9A-3i9v3:
15.42
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.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
3 / 3 ASP 7  39
ARG 7  75
ASP 7  36
None
0.80A 4fp9A-3i9v7:
undetectable
4fp9A-3i9v7:
16.76
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
3 / 3 ASP 7  39
ARG 7  75
ASP 7  36
None
0.68A 4fp9C-3i9v7:
undetectable
4fp9C-3i9v7:
16.76
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
3 / 3 ASP 7  39
ARG 7  75
ASP 7  36
None
0.69A 4fp9F-3i9v7:
undetectable
4fp9F-3i9v7:
16.76
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
4 / 8 HIS 4 336
ASP 5 178
LEU 5 174
ASP 3 132
None
1.00A 4k0bA-3i9v4:
undetectable
4k0bA-3i9v4:
23.27
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus;
Thermus
thermophilus)
3 / 3 LEU 1 393
PRO 1 392
ARG 3 101
None
0.53A 4klrB-3i9v1:
2.2
4klrB-3i9v1:
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 6 SER 1 413
GLY 1 379
ASP 1 383
GLY 1 375
None
0.99A 4koeA-3i9v1:
undetectable
4koeB-3i9v1:
undetectable
4koeC-3i9v1:
1.8
4koeA-3i9v1:
23.54
4koeB-3i9v1:
23.54
4koeC-3i9v1:
21.38
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.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
4 / 8 HIS 4 336
ASP 5 178
LEU 5 174
ASP 3 132
None
1.04A 4l7iA-3i9v4:
undetectable
4l7iA-3i9v4:
23.27
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.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 ILE 4  79
MET 4  70
ARG 4  73
None
0.91A 4lnwA-3i9v4:
undetectable
4lnwA-3i9v4:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 ILE 4  79
MET 4  70
ARG 4  73
None
0.89A 4lnxA-3i9v4:
undetectable
4lnxA-3i9v4:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 ARG 3 695
TYR 3 454
THR 3 403
PRO 3 457
None
1.35A 4mjqA-3i9v3:
undetectable
4mjqA-3i9v3:
17.84
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 GLY 3 294
CYH 3 263
ASN 3 225
GLY 3 224
ASP 3 292
SF4  3 786 (-3.4A)
SF4  3 786 (-2.2A)
None
None
None
1.20A 4n09A-3i9v3:
3.8
4n09A-3i9v3:
19.52
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.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 5 TYR 1  88
LEU 1 188
GLU 1 193
VAL 2  63
None
1.04A 4nkvA-3i9v1:
undetectable
4nkvA-3i9v1:
23.23
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 TYR 1  88
LEU 1 188
GLU 1 193
VAL 2  63
None
1.05A 4nkvC-3i9v1:
undetectable
4nkvC-3i9v1:
23.23
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 5 HIS 4  63
PHE 4  66
LEU 5 121
PRO 5 145
None
1.38A 4o8zA-3i9v4:
undetectable
4o8zA-3i9v4:
21.56
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 ASN 1 343
GLY 1  99
SER 1 295
ILE 1 254
GLY 1 262
None
FES  2 182 ( 4.8A)
None
None
None
0.99A 4obwA-3i9v1:
2.6
4obwA-3i9v1:
21.05
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 ASN 1 343
GLY 1  99
SER 1 295
ILE 1 254
GLY 1 262
None
FES  2 182 ( 4.8A)
None
None
None
1.07A 4obwC-3i9v1:
undetectable
4obwC-3i9v1:
21.05
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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 10 TYR 2  78
LEU 2 116
LEU 2 163
LEU 2 153
PHE 2 117
None
1.05A 4odoA-3i9v2:
undetectable
4odoA-3i9v2:
25.38
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.
4ODO_B_FK5B203_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 10 TYR 2  78
LEU 2 116
LEU 2 163
LEU 2 153
PHE 2 117
None
1.02A 4odoB-3i9v2:
undetectable
4odoB-3i9v2:
25.38
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.
4ODO_C_FK5C204_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 10 TYR 2  78
LEU 2 116
LEU 2 163
LEU 2 153
PHE 2 117
None
1.06A 4odoC-3i9v2:
undetectable
4odoC-3i9v2:
25.38
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
5 / 11 TYR 2  78
LEU 2 116
LEU 2 163
LEU 2 153
PHE 2 117
None
1.00A 4odrA-3i9v2:
undetectable
4odrB-3i9v2:
undetectable
4odrA-3i9v2:
25.70
4odrB-3i9v2:
25.70
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.
4P65_C_IPHC101_0
(INSULIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 11 LEU 3 641
LEU 3 360
ALA 3 357
LEU 3 345
VAL 3 341
None
1.09A 4p65C-3i9v3:
undetectable
4p65D-3i9v3:
undetectable
4p65J-3i9v3:
undetectable
4p65L-3i9v3:
undetectable
4p65C-3i9v3:
2.44
4p65D-3i9v3:
3.60
4p65J-3i9v3:
3.60
4p65L-3i9v3:
3.60
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.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 PRO 4 337
LEU 4 105
GLN 4 308
None
0.71A 4pevB-3i9v4:
undetectable
4pevB-3i9v4:
23.71
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.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 8 LEU 3 728
VAL 3 736
VAL 3 777
LEU 3 758
None
0.97A 4puoC-3i9v3:
undetectable
4puoC-3i9v3:
21.83
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 GLN 3 661
HIS 3 657
ARG 3 611
None
1.15A 4qyqA-3i9v3:
undetectable
4qyqA-3i9v3:
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 GLN 3 661
HIS 3 657
ARG 3 611
None
1.12A 4qyqB-3i9v3:
undetectable
4qyqB-3i9v3:
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
4 / 8 ILE 9  68
GLU 9 105
THR 9  44
VAL 9 138
SF4  9 183 (-4.8A)
None
None
None
0.84A 4r20A-3i9v9:
undetectable
4r20A-3i9v9:
15.22
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.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
4 / 5 ILE 9  68
VAL 9  70
CYH 9 108
HIS 9  41
SF4  9 183 (-4.8A)
None
SF4  9 184 (-2.3A)
SF4  9 183 (-4.5A)
1.09A 4rzvA-3i9v9:
undetectable
4rzvA-3i9v9:
20.86
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 6 ASN 4 377
TYR 4 246
LEU 4 239
PHE 5  48
None
1.10A 4twdB-3i9v4:
undetectable
4twdC-3i9v4:
undetectable
4twdB-3i9v4:
23.08
4twdC-3i9v4:
23.08
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus)
4 / 6 ASN 4 377
TYR 4 246
LEU 4 239
PHE 5  48
None
1.17A 4twdD-3i9v4:
undetectable
4twdE-3i9v4:
2.2
4twdD-3i9v4:
23.08
4twdE-3i9v4:
23.08
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 7 GLU 1 232
GLU 1 116
TYR 1  32
LEU 1  33
None
1.18A 4twdF-3i9v1:
undetectable
4twdJ-3i9v1:
undetectable
4twdF-3i9v1:
20.74
4twdJ-3i9v1:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
3 / 3 MET 2  61
GLN 2  35
TYR 2  69
None
0.93A 4udcA-3i9v2:
undetectable
4udcA-3i9v2:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 ARG 1 415
PHE 1 417
GLY 1 412
LEU 1 300
PRO 1 299
None
1.44A 4uinH-3i9v1:
undetectable
4uinL-3i9v1:
undetectable
4uinH-3i9v1:
20.54
4uinL-3i9v1:
18.00
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 SER 7  58
ARG 3 178
GLU 7  32
GLU 7  34
None
None
CA  3 790 ( 3.4A)
CA  3 790 ( 4.3A)
1.34A 4xzkA-3i9v7:
undetectable
4xzkA-3i9v7:
23.43
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.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 LEU 2  31
GLU 2  59
VAL 2  60
ARG 1 196
GLY 1 354
None
None
None
None
SF4  1 439 (-4.1A)
1.35A 4ydqA-3i9v2:
undetectable
4ydqA-3i9v2:
16.63
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.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 LEU 2  31
GLU 2  59
VAL 2  60
ARG 1 196
GLY 3 206
None
1.24A 4ydqA-3i9v2:
undetectable
4ydqA-3i9v2:
16.63
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 THR 2  56
PRO 2  57
THR 2  58
VAL 3 199
None
0.74A 4yoaA-3i9v2:
undetectable
4yoaA-3i9v2:
19.21
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 12 GLY 1 324
GLY 1  67
ILE 1 329
GLY 1 326
GLY 1 293
None
1.08A 4yvgA-3i9v1:
undetectable
4yvgA-3i9v1:
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 GLY 1  64
ARG 1  65
GLY 1  66
GLU 1 222
FMN  1 440 (-3.5A)
None
FMN  1 440 (-3.6A)
None
1.24A 4z2eB-3i9v1:
undetectable
4z2eC-3i9v1:
undetectable
4z2eB-3i9v1:
22.12
4z2eC-3i9v1:
21.27
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.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 PHE 3 382
PRO 3 384
VAL 3 532
ALA 3 379
None
1.24A 4z4cA-3i9v3:
3.5
4z4cA-3i9v3:
22.19
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.
4Z4D_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 PHE 3 382
PRO 3 384
VAL 3 532
ALA 3 379
None
1.22A 4z4dA-3i9v3:
4.0
4z4dA-3i9v3:
22.19
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.
4Z4E_A_IPHA906_0
(PROTEIN ARGONAUTE-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 PHE 3 382
PRO 3 384
VAL 3 532
ALA 3 379
None
1.21A 4z4eA-3i9v3:
2.7
4z4eA-3i9v3:
22.19
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 6 GLY 1 379
ASP 1 383
GLY 1 375
SER 1 413
None
1.02A 4z53A-3i9v1:
undetectable
4z53B-3i9v1:
undetectable
4z53A-3i9v1:
20.56
4z53B-3i9v1:
20.56
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.
4Z90_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 8 ALA 3 493
LEU 3 480
LEU 3 524
LEU 3 505
ALA 3 449
None
0.95A 4z90A-3i9v3:
undetectable
4z90B-3i9v3:
undetectable
4z90C-3i9v3:
undetectable
4z90D-3i9v3:
undetectable
4z90E-3i9v3:
undetectable
4z90A-3i9v3:
15.34
4z90B-3i9v3:
15.34
4z90C-3i9v3:
15.34
4z90D-3i9v3:
15.34
4z90E-3i9v3:
15.34
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.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 7 ILE 1 149
PHE 1 169
GLY 1 130
LEU 1 224
None
0.94A 4zdzA-3i9v1:
undetectable
4zdzA-3i9v1:
21.98
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.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 7 ILE 1 149
PHE 1 169
GLY 1 130
LEU 1 224
None
0.85A 4ze3A-3i9v1:
undetectable
4ze3A-3i9v1:
21.98
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 ASP 3 752
ARG 3 455
TYR 3 454
None
0.82A 5a7mA-3i9v3:
3.7
5a7mA-3i9v3:
21.43
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 ASP 3 752
ARG 3 455
TYR 3 454
None
0.85A 5a7mB-3i9v3:
3.4
5a7mB-3i9v3:
21.43
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 SER 2  68
GLY 1 183
THR 1 325
ARG 3 205
MN  2 206 (-3.2A)
FMN  1 440 (-3.3A)
None
None
1.10A 5btaA-3i9v2:
2.3
5btaB-3i9v2:
undetectable
5btaC-3i9v2:
2.2
5btaA-3i9v2:
15.90
5btaB-3i9v2:
20.85
5btaC-3i9v2:
15.90
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 ARG 3 205
SER 2  68
GLY 1 183
THR 1 325
None
MN  2 206 (-3.2A)
FMN  1 440 (-3.3A)
None
1.07A 5btcA-3i9v3:
undetectable
5btcC-3i9v3:
undetectable
5btcD-3i9v3:
undetectable
5btcA-3i9v3:
21.71
5btcC-3i9v3:
21.71
5btcD-3i9v3:
15.11
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 6 SER 2  68
GLY 1 183
THR 1 325
ARG 3 205
MN  2 206 (-3.2A)
FMN  1 440 (-3.3A)
None
None
1.10A 5btcA-3i9v2:
2.2
5btcB-3i9v2:
undetectable
5btcC-3i9v2:
2.3
5btcA-3i9v2:
15.90
5btcB-3i9v2:
20.85
5btcC-3i9v2:
15.90
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 6 SER 1 413
GLY 1 379
ASP 1 383
GLY 1 375
None
0.87A 5cdnA-3i9v1:
undetectable
5cdnB-3i9v1:
2.0
5cdnA-3i9v1:
22.01
5cdnB-3i9v1:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 LEU 4 190
THR 4 115
ILE 4 116
LEU 4 182
PRO 4 183
None
1.05A 5eajB-3i9v4:
undetectable
5eajB-3i9v4:
16.59
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 8 ILE 1 149
PHE 1 169
GLY 1 130
LEU 1 224
None
0.92A 5esjA-3i9v1:
undetectable
5esjA-3i9v1:
23.04
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.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 7 ILE 1 149
PHE 1 169
GLY 1 130
LEU 1 224
None
0.94A 5esmA-3i9v1:
undetectable
5esmA-3i9v1:
23.21
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.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 12 VAL 4 324
ILE 9  54
LEU 9  43
LEU 9  58
ALA 9  60
None
SF4  9 184 (-4.5A)
None
SF4  9 184 ( 4.7A)
None
1.41A 5fctB-3i9v4:
undetectable
5fctB-3i9v4:
23.27
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
3 / 3 PRO 3 551
LEU 3 345
SER 3 557
None
0.74A 5fsaB-3i9v3:
undetectable
5fsaB-3i9v3:
19.90
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.
5IGT_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
6 / 12 ILE 1 115
VAL 1 173
HIS 1 172
VAL 1 134
LEU 1 188
THR 1 216
None
1.25A 5igtA-3i9v1:
undetectable
5igtA-3i9v1:
23.53
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
3 / 3 TYR 4 326
TYR 3 143
SER 5 194
None
0.79A 5iktB-3i9v4:
undetectable
5iktB-3i9v4:
21.94
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
5 / 12 GLU 4 318
HIS 4 327
ALA 4 323
ARG 4 303
ARG 7  46
MN  7 202 (-3.0A)
None
None
None
None
1.47A 5m54B-3i9v4:
undetectable
5m54B-3i9v4:
21.92
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.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 5 SER 3 380
ALA 3 379
GLN 3 513
THR 3 536
None
1.41A 5n0tA-3i9v3:
3.5
5n0tA-3i9v3:
19.18
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 VAL 1  57
LYS 1 247
MET 1 268
None
0.62A 5nknA-3i9v1:
undetectable
5nknA-3i9v1:
11.29
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
5 / 12 GLY 7 100
LYS 7 101
GLU 7   6
LEU 7   9
GLU 7   8
None
1.27A 5nwvA-3i9v7:
undetectable
5nwvA-3i9v7:
12.40
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.
5ODC_A_ACTA703_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 4 GLN 1 420
GLN 1 288
PRO 1 301
ALA 1 289
None
1.47A 5odcA-3i9v1:
2.0
5odcG-3i9v1:
1.3
5odcA-3i9v1:
23.69
5odcG-3i9v1:
23.69
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.
5ODC_G_ACTG704_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 PRO 1 301
ALA 1 289
GLN 1 420
GLN 1 288
None
1.47A 5odcA-3i9v1:
2.0
5odcG-3i9v1:
1.1
5odcA-3i9v1:
23.69
5odcG-3i9v1:
23.69
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 8 GLU 4 282
VAL 4 264
GLY 4 236
LEU 4 239
None
1.08A 5sxqB-3i9v4:
undetectable
5sxqB-3i9v4:
19.95
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 LEU 3 477
HIS 3 468
ALA 3 452
PRO 3 696
GLY 3 768
None
1.05A 5syeB-3i9v3:
undetectable
5syeB-3i9v3:
21.44
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 8 GLU 4 282
VAL 4 264
GLY 4 236
LEU 4 239
None
1.08A 5syjA-3i9v4:
undetectable
5syjA-3i9v4:
19.95
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
4 / 7 ILE 7  82
LEU 7  16
MET 7  20
LEU 7  17
None
0.97A 5u4sA-3i9v7:
undetectable
5u4sA-3i9v7:
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.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus)
4 / 8 ILE 7  82
LEU 7  16
MET 7  20
LEU 7  17
None
0.99A 5u4sB-3i9v7:
undetectable
5u4sB-3i9v7:
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
3 / 3 ARG 4 409
ARG 4 371
ARG 4 350
None
0.96A 5vcgA-3i9v4:
undetectable
5vcgA-3i9v4:
21.84
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.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
3 / 3 GLY 1 396
TRP 1 408
VAL 1 407
None
0.64A 5vuoB-3i9v1:
undetectable
5vuoB-3i9v1:
23.23
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 5 LEU 2  11
LYS 2   3
LEU 2  52
GLU 2  48
None
1.26A 5weaA-3i9v2:
undetectable
5weaA-3i9v2:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
5 / 12 LEU 3 399
PRO 3 453
GLY 3 508
ILE 3 476
GLY 3 510
None
1.01A 5wyqB-3i9v3:
undetectable
5wyqB-3i9v3:
17.37
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus)
4 / 6 GLN 2  36
PHE 2   4
LEU 2  11
PHE 2  15
None
1.14A 5z85P-3i9v2:
undetectable
5z85W-3i9v2:
undetectable
5z85P-3i9v2:
19.01
5z85W-3i9v2:
17.06
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus)
3 / 3 VAL 9 166
TYR 9 165
GLU 9 171
None
0.96A 5zmqD-3i9v9:
undetectable
5zmqE-3i9v9:
undetectable
5zmqD-3i9v9:
22.64
5zmqE-3i9v9:
17.65
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
5 / 7 GLY 1  66
GLY 1  67
GLY 1 324
GLY 1 327
GLY 1 326
FMN  1 440 (-3.6A)
None
None
None
None
0.92A 6ag0A-3i9v1:
undetectable
6ag0A-3i9v1:
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 9 VAL 4 264
LEU 5  77
GLY 4 237
LEU 4 239
VAL 4 248
None
1.26A 6czmB-3i9v4:
undetectable
6czmC-3i9v4:
undetectable
6czmB-3i9v4:
22.50
6czmC-3i9v4:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 9 VAL 4 264
LEU 5  77
GLY 4 237
LEU 4 239
VAL 4 248
None
1.25A 6czmD-3i9v4:
undetectable
6czmE-3i9v4:
undetectable
6czmD-3i9v4:
22.50
6czmE-3i9v4:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus)
5 / 10 VAL 4 264
LEU 5  77
GLY 4 237
LEU 4 239
VAL 4 248
None
1.29A 6czmE-3i9v4:
undetectable
6czmF-3i9v4:
undetectable
6czmE-3i9v4:
22.50
6czmF-3i9v4:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 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_B_AQ4B602_1
(CYTOCHROME P450 1A1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 PHE 3 654
GLY 3 548
VAL 3 615
LEU 3 351
None
0.75A 6dwnB-3i9v3:
undetectable
6dwnB-3i9v3:
7.58
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus)
4 / 6 ASN 4  78
TYR 4  81
VAL 4 368
THR 4  69
None
1.35A 6f32B-3i9v4:
undetectable
6f32B-3i9v4:
22.18
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.
6G9B_A_IXXA609_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus)
4 / 7 LEU 3 477
VAL 3 532
LEU 3 507
LEU 3 512
None
0.74A 6g9bA-3i9v3:
undetectable
6g9bB-3i9v3:
undetectable
6g9bA-3i9v3:
6.74
6g9bB-3i9v3:
7.32
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus)
4 / 5 LEU 1 300
ILE 1 394
MET 1 322
GLY 1 293
None
0.95A 6hd6A-3i9v1:
undetectable
6hd6A-3i9v1:
11.89
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus)
4 / 6 THR 3 111
MET 4 321
THR 3 134
LEU 1 393
None
SF4  3 784 ( 4.8A)
None
None
0.99A 6mvxA-3i9v3:
undetectable
6mvxB-3i9v3:
undetectable
6mvxC-3i9v3:
undetectable
6mvxA-3i9v3:
14.25
6mvxB-3i9v3:
14.25
6mvxC-3i9v3:
14.25