SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2b24'

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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 253
LEU A 173
SER A 303
ILE A 304
ILE A 294
None
1.01A 1draA-2b24A:
undetectable
1draA-2b24A:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ALA B 659
VAL B 545
TRP B 541
None
0.78A 1kqeA-2b24B:
undetectable
1kqeE-2b24B:
undetectable
1kqeA-2b24B:
5.98
1kqeE-2b24B:
5.98
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ALA B 659
VAL B 545
TRP B 541
None
0.82A 1kqeB-2b24B:
undetectable
1kqeD-2b24B:
undetectable
1kqeB-2b24B:
5.98
1kqeD-2b24B:
5.98
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 TRP B 541
ALA B 659
VAL B 545
None
0.81A 1kqeB-2b24B:
undetectable
1kqeD-2b24B:
undetectable
1kqeB-2b24B:
5.98
1kqeD-2b24B:
5.98
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 TRP B 541
ALA B 659
VAL B 545
None
0.84A 1kqeA-2b24B:
undetectable
1kqeE-2b24B:
undetectable
1kqeA-2b24B:
5.98
1kqeE-2b24B:
5.98
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.
1M8E_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ARG A 324
ILE A 199
TRP A 197
None
1.00A 1m8eB-2b24A:
undetectable
1m8eB-2b24A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MIC_A_DVAA6_0
(GRAMICIDIN A)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ALA B 659
VAL B 545
TRP B 541
None
0.58A 1micA-2b24B:
undetectable
1micB-2b24B:
undetectable
1micA-2b24B:
6.63
1micB-2b24B:
6.63
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 11 GLU B 529
GLU B 589
LEU B 586
GLU B 582
LEU B 542
None
1.40A 1mjqA-2b24B:
undetectable
1mjqB-2b24B:
undetectable
1mjqA-2b24B:
21.39
1mjqB-2b24B:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLY A 296
ASN A 423
TYR A 151
LEU A 177
TYR A 176
None
1.28A 1pj7A-2b24A:
0.0
1pj7A-2b24A:
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.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ARG A 324
ILE A 199
TRP A 197
None
1.03A 1qomA-2b24A:
undetectable
1qomA-2b24A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLY A 250
HIS A 249
HIS A 247
THR A 245
ILE A 243
None
1.01A 1utdL-2b24A:
undetectable
1utdM-2b24A:
undetectable
1utdL-2b24A:
9.29
1utdM-2b24A:
9.29
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.
1UTD_V_TRPV81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 11 GLY A 250
HIS A 249
HIS A 247
THR A 245
ILE A 243
None
0.99A 1utdL-2b24A:
undetectable
1utdV-2b24A:
undetectable
1utdL-2b24A:
9.29
1utdV-2b24A:
9.29
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.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.41A 1v8bB-2b24A:
undetectable
1v8bB-2b24A:
20.08
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 PHE A 210
ALA A 237
ASP A 213
ALA A 214
TYR A 419
IND  A 503 ( 4.4A)
None
None
IND  A 503 ( 3.9A)
None
1.41A 2avdB-2b24A:
undetectable
2avdB-2b24A:
20.09
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.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 253
LEU A 173
SER A 303
ILE A 304
ILE A 294
None
1.01A 2drcA-2b24A:
undetectable
2drcA-2b24A:
16.28
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.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 ILE A  72
TYR A  65
VAL A  62
CYH A  96
None
1.19A 2xz5A-2b24A:
undetectable
2xz5C-2b24A:
undetectable
2xz5A-2b24A:
17.88
2xz5C-2b24A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 ILE A  72
TYR A  65
VAL A  62
CYH A  96
None
1.18A 2xz5C-2b24A:
undetectable
2xz5D-2b24A:
undetectable
2xz5C-2b24A:
17.88
2xz5D-2b24A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z77_D_NCAD200_0
(PUTATIVE STEROID
ISOMERASE)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 9 ASP B 534
LEU B 626
LEU B 677
LEU B 628
TYR B 538
None
1.32A 2z77D-2b24B:
11.4
2z77D-2b24B:
26.74
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.
3AOC_C_ERYC3402_0
(ACRIFLAVINE
RESISTANCE PROTEIN B)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 SER A 303
PHE A 156
PHE A 299
LEU A 205
GLU A  37
None
1.30A 3aocC-2b24A:
undetectable
3aocC-2b24A:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 LEU B 649
THR B 546
VAL B 545
ALA B 652
None
0.98A 3ax9A-2b24B:
undetectable
3ax9A-2b24B:
8.63
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 253
LEU A 173
SER A 303
ILE A 304
ILE A 294
None
1.02A 3drcA-2b24A:
undetectable
3drcA-2b24A:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 TYR B 551
ASP B 647
HIS B 604
None
0.75A 3e23A-2b24B:
undetectable
3e23A-2b24B:
19.73
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.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ASN A 375
ASP A 208
GLN A 424
None
0.76A 3eeyC-2b24A:
undetectable
3eeyC-2b24A:
16.60
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.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ASN A 375
ASP A 208
GLN A 424
None
0.79A 3eeyD-2b24A:
undetectable
3eeyD-2b24A:
16.60
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.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ASN A 375
ASP A 208
GLN A 424
None
0.76A 3eeyE-2b24A:
undetectable
3eeyE-2b24A:
16.60
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 5 GLN A  11
THR A   9
THR A  22
HIS A  15
None
1.44A 3g1uC-2b24A:
undetectable
3g1uC-2b24A:
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.
3IB0_A_DIFA701_1
(LACTOTRANSFERRIN)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 4 PRO A 257
TYR A 239
GLY A 255
THR A 291
None
1.18A 3ib0A-2b24A:
undetectable
3ib0A-2b24A:
22.34
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 GLY A 296
ILE A 179
VAL A 180
None
0.50A 3nv6A-2b24A:
undetectable
3nv6A-2b24A:
22.70
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 ARG A 324
ILE A 199
TRP A 197
None
0.94A 3nw2A-2b24A:
undetectable
3nw2A-2b24A:
21.60
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 7 GLY A 259
PRO A 257
TYR A 239
GLY A 255
THR A 291
None
1.27A 3tajA-2b24A:
undetectable
3tajA-2b24A:
22.34
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.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 SER A 365
GLY A 366
GLN A 370
None
0.65A 3v4tH-2b24A:
undetectable
3v4tH-2b24A:
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 TYR A  65
VAL A  62
CYH A  96
ILE A  72
None
1.16A 4aftD-2b24A:
undetectable
4aftE-2b24A:
undetectable
4aftD-2b24A:
17.88
4aftE-2b24A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 TYR A  65
VAL A  62
CYH A  96
ILE A  72
None
1.13A 4bqtC-2b24A:
undetectable
4bqtD-2b24A:
undetectable
4bqtC-2b24A:
17.88
4bqtD-2b24A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 SER A 378
ILE A 379
TRP A 376
GLU A 374
None
1.09A 4cx7A-2b24A:
undetectable
4cx7B-2b24A:
undetectable
4cx7A-2b24A:
22.20
4cx7B-2b24A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_C_H4BC600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 SER A 378
ILE A 379
TRP A 376
GLU A 374
None
1.23A 4cx7C-2b24A:
undetectable
4cx7D-2b24A:
undetectable
4cx7C-2b24A:
22.20
4cx7D-2b24A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DVO_A_SORA404_0
(XYLOSE ISOMERASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 220
ASN A 209
HIS A 295
ASP A 213
ASP A 418
None
FE  A 502 ( 4.3A)
IND  A 503 (-3.5A)
None
None
1.45A 4dvoA-2b24A:
undetectable
4dvoA-2b24A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)
2b24 NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 8 TYR B 527
THR B 523
ARG B 645
VAL B 622
VAL B 609
None
1.39A 4em2A-2b24B:
undetectable
4em2A-2b24B:
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 6 TRP A  21
ASN A 423
TYR A 415
LEU A 402
None
1.44A 4f8yA-2b24A:
undetectable
4f8yB-2b24A:
undetectable
4f8yA-2b24A:
16.28
4f8yB-2b24A:
16.28
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLU A 275
ILE A 272
LEU A 188
GLY A 187
VAL A 342
None
1.07A 4foxD-2b24A:
undetectable
4foxD-2b24A:
18.74
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLU A 275
ILE A 272
LEU A 188
GLY A 187
VAL A 342
None
1.05A 4fqsA-2b24A:
undetectable
4fqsA-2b24A:
18.74
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLU A 275
ILE A 272
LEU A 188
GLY A 187
VAL A 342
None
1.05A 4fqsB-2b24A:
undetectable
4fqsB-2b24A:
18.74
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.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
3 / 3 HIS A 295
GLY A 240
ILE A 254
IND  A 503 (-3.5A)
None
None
0.62A 4k50A-2b24A:
undetectable
4k50A-2b24A:
21.06
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 8 GLY A 367
GLY A 363
ILE A 364
GLU A 369
None
0.77A 4mwzB-2b24A:
undetectable
4mwzB-2b24A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 5 LYS A 174
LEU A 166
GLU A 167
TYR A 151
None
1.35A 4olaA-2b24A:
undetectable
4olaA-2b24A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P7N_A_GCSA703_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 4 LEU A 268
PHE A 350
LEU A 188
GLU A 343
None
1.50A 4p7nA-2b24A:
0.0
4p7nA-2b24A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 6 PHE A 236
ASP A 418
TYR A 419
HIS A 295
None
None
None
IND  A 503 (-3.5A)
1.12A 4paeA-2b24A:
undetectable
4paeA-2b24A:
20.43
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.
4Q5M_A_ROCA1101_1
(PROTEASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLY B 643
ILE B 670
VAL B 567
ILE A 364
THR B 672
None
1.00A 4q5mA-2b24B:
undetectable
4q5mA-2b24B:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 6 LYS A 174
LEU A 166
GLU A 167
TYR A 151
None
1.29A 4z4cA-2b24A:
undetectable
4z4cA-2b24A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 GLU A 421
PHE A 362
PHE A 210
GLY A 305
HIS A 242
None
None
IND  A 503 ( 4.4A)
None
None
1.32A 5esgA-2b24A:
undetectable
5esgA-2b24A:
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.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 6 LEU A 321
LEU A 302
LEU A 177
HIS A  51
None
0.94A 5gs4A-2b24A:
undetectable
5gs4A-2b24A:
19.04
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 5 LEU A 321
LEU A 302
LEU A 177
HIS A  51
None
0.85A 5gtrA-2b24A:
undetectable
5gtrA-2b24A:
19.04
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.
5KSN_B_NIZB809_1
(CATALASE-PEROXIDASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 9 VAL B 553
GLY A 366
SER A 365
GLN A 195
LEU A 359
None
1.48A 5ksnB-2b24B:
undetectable
5ksnB-2b24B:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 7 LEU A 428
ILE A 199
MET A 334
TRP A 326
None
1.06A 5ljcA-2b24A:
1.0
5ljcA-2b24A:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.16A 5m5kB-2b24A:
undetectable
5m5kB-2b24A:
20.38
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.31A 5m66A-2b24A:
undetectable
5m66A-2b24A:
20.38
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.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.29A 5m66C-2b24A:
undetectable
5m66C-2b24A:
20.38
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 243
LEU A 251
GLY A 412
ASP A 172
GLY A 246
None
1.03A 5nnaA-2b24A:
undetectable
5nnaA-2b24A:
21.15
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.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 243
LEU A 251
GLY A 412
ASP A 172
GLY A 246
None
1.06A 5nnaB-2b24A:
undetectable
5nnaB-2b24A:
21.15
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 243
LEU A 251
GLY A 412
ASP A 172
GLY A 246
None
1.05A 5nnaC-2b24A:
undetectable
5nnaC-2b24A:
21.15
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 ILE A 243
LEU A 251
GLY A 412
ASP A 172
GLY A 246
None
1.03A 5nnaD-2b24A:
undetectable
5nnaD-2b24A:
21.15
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.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 7 ASP A  16
GLY A  13
ASP A  20
ASN A  18
None
1.04A 5nnwD-2b24A:
undetectable
5nnwD-2b24A:
9.82
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 7 ASP A  16
GLY A  13
ASP A  20
ASN A  18
None
1.03A 5no9D-2b24A:
undetectable
5no9D-2b24A:
9.82
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.
5SXS_B_NIZB806_1
(CATALASE-PEROXIDASE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 9 VAL B 553
GLY A 366
SER A 365
GLN A 195
LEU A 359
None
1.49A 5sxsB-2b24B:
undetectable
5sxsB-2b24B:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.28A 5utuF-2b24A:
undetectable
5utuF-2b24A:
23.77
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.
5X7F_A_SAMA301_1
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
4 / 4 SER A 158
ASP A 164
HIS A 247
ASP A 160
None
1.47A 5x7fA-2b24A:
0.0
5x7fA-2b24A:
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.
6F3N_B_ADNB505_1
(-)
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus
sp.
NCIMB
12038)
5 / 12 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.29A 6f3nB-2b24A:
undetectable
6f3nB-2b24A:
22.41