SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4na3'

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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 7 ARG A 266
ILE A 300
TYR A 295
GLY A 427
None
0.87A 11gsA-4na3A:
undetectable
11gsA-4na3A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.21A 1ddrB-4na3A:
undetectable
1ddrB-4na3A:
13.69
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.18A 1ddsA-4na3A:
undetectable
1ddsA-4na3A:
13.69
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.18A 1ddsB-4na3A:
undetectable
1ddsB-4na3A:
13.69
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.13A 1dyiA-4na3A:
undetectable
1dyiA-4na3A:
13.52
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.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.11A 1dyiB-4na3A:
undetectable
1dyiB-4na3A:
13.52
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 6 PRO A 345
ASP A 416
ASN A 420
ASP A 418
None
1.43A 1hpkA-4na3A:
undetectable
1hpkA-4na3A:
9.77
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 10 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.15A 1j3jA-4na3A:
undetectable
1j3jA-4na3A:
17.77
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.
1JB0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 9 PHE A  16
GLY A 202
ALA A 365
LEU A 361
GLY A 242
None
None
2JG  A 176 ( 3.8A)
None
None
1.27A 1jb0A-4na3A:
undetectable
1jb0A-4na3A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.19A 1jolA-4na3A:
undetectable
1jolA-4na3A:
13.52
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 10 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.15A 1rb3A-4na3A:
undetectable
1rb3A-4na3A:
13.52
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.14A 1re7A-4na3A:
undetectable
1re7A-4na3A:
13.52
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.10A 1re7B-4na3A:
undetectable
1re7B-4na3A:
13.52
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.02A 1rx2A-4na3A:
undetectable
1rx2A-4na3A:
13.52
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.08A 1rx3A-4na3A:
undetectable
1rx3A-4na3A:
13.52
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.10A 1rx8A-4na3A:
undetectable
1rx8A-4na3A:
13.52
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 5 PHE A  78
LEU A 114
MET A 159
LEU A  95
None
1.43A 1skxA-4na3A:
undetectable
1skxA-4na3A:
19.78
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.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 585
ASN A 588
LEU A 563
ALA A 560
VAL A 461
None
1.12A 1xdkA-4na3A:
undetectable
1xdkA-4na3A:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
3 / 3 LYS A 487
ASP A  69
ASP A  23
None
0.83A 2br4D-4na3A:
undetectable
2br4D-4na3A:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_1
(POL POLYPROTEIN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
1.02A 2f81A-4na3A:
undetectable
2f81A-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_2
(POL POLYPROTEIN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.94A 2f81B-4na3A:
undetectable
2f81B-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
3 / 3 SER A 178
THR A 205
GLN A  92
2JG  A 176 ( 4.7A)
None
None
0.75A 2fk8A-4na3A:
undetectable
2fk8A-4na3A:
21.52
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 ARG A 266
ILE A 300
TYR A 295
GLY A 427
None
0.92A 2gssA-4na3A:
undetectable
2gssA-4na3A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 ARG A 266
ILE A 300
TYR A 295
GLY A 427
None
0.93A 2gssB-4na3A:
undetectable
2gssB-4na3A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 9 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.88A 2idwB-4na3A:
undetectable
2idwB-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEN_B_017B402_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.91A 2ienB-4na3A:
undetectable
2ienB-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 LEU A 333
VAL A 441
ILE A 308
PHE A 402
None
0.98A 2weyB-4na3A:
undetectable
2weyB-4na3A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.15A 2zzaA-4na3A:
undetectable
2zzaA-4na3A:
14.38
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.16A 2zzaB-4na3A:
undetectable
2zzaB-4na3A:
14.38
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.92A 3cywB-4na3A:
undetectable
3cywB-4na3A:
10.97
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.93A 3d1zB-4na3A:
undetectable
3d1zB-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D20_A_017A201_2
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.94A 3d20B-4na3A:
undetectable
3d20B-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.13A 3dauA-4na3A:
undetectable
3dauA-4na3A:
13.69
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.
3EKP_C_478C200_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 10 LEU A 180
GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.18A 3ekpD-4na3A:
undetectable
3ekpD-4na3A:
9.92
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.
3EKT_D_017D200_1
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 11 LEU A 180
GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.16A 3ektC-4na3A:
undetectable
3ektC-4na3A:
9.92
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.
3EKT_D_017D200_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.11A 3ektD-4na3A:
undetectable
3ektD-4na3A:
9.92
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.
3EKT_D_017D200_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.96A 3ektD-4na3A:
undetectable
3ektD-4na3A:
9.92
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.
3EKV_A_478A200_1
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 10 LEU A 180
GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.14A 3ekvA-4na3A:
undetectable
3ekvA-4na3A:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.95A 3k4vD-4na3A:
undetectable
3k4vD-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZS_A_017A200_1
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.97A 3lzsA-4na3A:
undetectable
3lzsA-4na3A:
9.92
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.94A 3lzsB-4na3A:
undetectable
3lzsB-4na3A:
9.92
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.95A 3lzuA-4na3A:
undetectable
3lzuA-4na3A:
10.84
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 ARG A 266
ILE A 300
TYR A 295
GLY A 427
None
0.96A 3n9jA-4na3A:
undetectable
3n9jA-4na3A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 397
TYR A 403
GLY A 352
LEU A 326
ALA A 426
None
0.93A 3ou6A-4na3A:
undetectable
3ou6A-4na3A:
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 397
TYR A 403
GLY A 352
LEU A 326
ALA A 426
None
0.93A 3ou6B-4na3A:
undetectable
3ou6B-4na3A:
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.
3PCQ_A_PQNA847_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 9 PHE A  16
GLY A 202
ALA A 365
LEU A 361
GLY A 242
None
None
2JG  A 176 ( 3.8A)
None
None
1.27A 3pcqA-4na3A:
undetectable
3pcqA-4na3A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.93A 3pwmB-4na3A:
undetectable
3pwmB-4na3A:
10.47
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.10A 3ql0A-4na3A:
undetectable
3ql0A-4na3A:
13.48
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.04A 3ql3A-4na3A:
undetectable
3ql3A-4na3A:
13.52
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.
3S45_B_478B201_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.90A 3s45B-4na3A:
undetectable
3s45B-4na3A:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKW_B_017B401_1
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.94A 3tkwA-4na3A:
undetectable
3tkwA-4na3A:
11.78
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.
3VW1_B_CVIB301_0
(PUTATIVE REGULATORY
PROTEIN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 374
THR A 268
ILE A 440
ILE A  12
ALA A 103
None
1.42A 3vw1B-4na3A:
undetectable
3vw1B-4na3A:
15.05
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 371
GLY A 244
ILE A  68
ASN A  28
LEU A 361
None
1.21A 4a81A-4na3A:
undetectable
4a81A-4na3A:
14.87
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.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 6 GLY A 143
ARG A 158
GLU A  85
ARG A  84
None
1.42A 4bqfA-4na3A:
undetectable
4bqfA-4na3A:
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 ASN A 324
GLU A 322
ILE A 323
ASN A 392
None
0.63A 4d33A-4na3A:
undetectable
4d33A-4na3A:
22.09
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 7 ASN A 324
GLU A 322
ILE A 323
ASN A 392
None
0.65A 4d33B-4na3A:
undetectable
4d33B-4na3A:
22.09
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.
4D39_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 8 ASN A 324
GLU A 322
ILE A 323
ASN A 392
None
0.64A 4d39A-4na3A:
undetectable
4d39A-4na3A:
22.09
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.
4D39_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 7 ASN A 324
GLU A 322
ILE A 323
ASN A 392
None
0.63A 4d39B-4na3A:
undetectable
4d39B-4na3A:
22.09
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 10 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.89A 4dqfB-4na3A:
undetectable
4dqfB-4na3A:
12.60
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.
4DT8_A_ADNA401_1
(APH(2'')-ID)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 GLY A 201
ALA A 200
ILE A 183
LEU A 374
ILE A   9
None
1.10A 4dt8A-4na3A:
undetectable
4dt8A-4na3A:
18.76
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 10 GLY A 201
ALA A 200
ILE A 183
ILE A 442
LEU A 374
ILE A   9
None
1.10A 4dt8B-4na3A:
undetectable
4dt8B-4na3A:
18.76
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.
4DTA_A_ADNA401_1
(APH(2'')-ID)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 10 ALA A 200
ILE A 183
ILE A 442
LEU A 374
ILE A   9
None
1.08A 4dtaA-4na3A:
undetectable
4dtaA-4na3A:
18.91
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.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 7 ARG A  15
GLY A  14
ILE A  22
MET A 159
None
1.04A 4g0vA-4na3A:
undetectable
4g0vA-4na3A:
22.05
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 GLN A 519
LEU A 521
VAL A 482
LEU A 479
ILE A 599
None
1.04A 4g1bA-4na3A:
undetectable
4g1bA-4na3A:
21.37
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.
4HLA_A_017A200_1
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.94A 4hlaA-4na3A:
undetectable
4hlaA-4na3A:
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.
4LL3_A_017A201_2
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 10 LEU A 180
GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.14A 4ll3B-4na3A:
undetectable
4ll3B-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_1
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 10 LEU A 180
GLY A 201
ALA A 200
VAL A 187
ILE A  12
ILE A 183
None
1.15A 4ll3A-4na3A:
undetectable
4ll3A-4na3A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ALA A 175
HIS A 311
THR A 313
HIS A 360
GLY A 432
2JG  A 176 ( 2.6A)
None
None
2JG  A 176 ( 4.0A)
2JG  A 176 ( 3.6A)
0.34A 4ls7A-4na3A:
47.9
4ls7A-4na3A:
25.04
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ALA A 175
HIS A 311
THR A 313
HIS A 360
GLY A 432
2JG  A 176 ( 2.6A)
None
None
2JG  A 176 ( 4.0A)
2JG  A 176 ( 3.6A)
0.35A 4ls7A-4na3A:
47.9
4ls7B-4na3A:
47.7
4ls7A-4na3A:
25.04
4ls7B-4na3A:
25.04
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 GLY A 267
ILE A 183
ILE A 428
ARG A 425
LEU A 374
None
1.05A 4mwzA-4na3A:
undetectable
4mwzA-4na3A:
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.05A 4pthA-4na3A:
undetectable
4pthA-4na3A:
13.69
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.02A 4ptjA-4na3A:
undetectable
4ptjA-4na3A:
13.69
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.14A 4qi9A-4na3A:
undetectable
4qi9A-4na3A:
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.12A 4qi9B-4na3A:
undetectable
4qi9B-4na3A:
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.13A 4qleA-4na3A:
undetectable
4qleA-4na3A:
12.70
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.16A 4qleB-4na3A:
undetectable
4qleB-4na3A:
12.70
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.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 11 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.11A 4qlfA-4na3A:
undetectable
4qlfA-4na3A:
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.12A 4qlgA-4na3A:
undetectable
4qlgA-4na3A:
12.70
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 9 ALA A 182
SER A 160
GLY A 120
ALA A 198
VAL A 100
None
1.17A 4r1zA-4na3A:
undetectable
4r1zA-4na3A:
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.11A 4rgcA-4na3A:
undetectable
4rgcA-4na3A:
13.69
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.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
3 / 3 SER A 600
TYR A 262
ASP A  23
None
0.85A 4rp8C-4na3A:
undetectable
4rp8C-4na3A:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.10A 4x5fA-4na3A:
undetectable
4x5fA-4na3A:
13.34
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.10A 4x5fB-4na3A:
undetectable
4x5fB-4na3A:
13.34
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.11A 4x5gA-4na3A:
undetectable
4x5gA-4na3A:
13.34
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.11A 4x5hA-4na3A:
undetectable
4x5hA-4na3A:
13.34
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.11A 4x5jA-4na3A:
undetectable
4x5jA-4na3A:
13.34
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 375
VAL A 246
ILE A 367
ILE A   9
GLY A 263
None
0.94A 4y8wC-4na3A:
undetectable
4y8wC-4na3A:
21.75
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 4 VAL A 502
ILE A 585
ASN A 460
VAL A 463
None
1.25A 5ajqA-4na3A:
undetectable
5ajqA-4na3A:
18.81
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
3 / 3 ASN A 192
ALA A 189
ARG A 185
None
0.73A 5cvtB-4na3A:
undetectable
5cvtB-4na3A:
13.62
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.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.12A 5e8qA-4na3A:
undetectable
5e8qA-4na3A:
13.52
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.16A 5e8qB-4na3A:
undetectable
5e8qB-4na3A:
13.52
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
3 / 3 ARG A 239
ASN A 204
ASP A  90
None
0.78A 5gwxA-4na3A:
undetectable
5gwxA-4na3A:
20.28
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
None
1.15A 5hi6A-4na3A:
undetectable
5hi6A-4na3A:
15.87
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.
5L8R_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 9 PHE A  16
GLY A 202
ALA A 365
LEU A 361
GLY A 242
None
None
2JG  A 176 ( 3.8A)
None
None
1.29A 5l8rA-4na3A:
undetectable
5l8rA-4na3A:
21.01
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.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 7 GLY A 435
PHE A 431
SER A 177
ARG A 275
None
None
2JG  A 176 ( 4.0A)
None
0.80A 5n5dB-4na3A:
undetectable
5n5dB-4na3A:
16.86
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.
5QJQ_C_K1SC304_0
(ADP-SUGAR
PYROPHOSPHATASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
4 / 5 ARG A 136
LEU A 133
TRP A  44
GLU A  48
None
1.40A 5qjqC-4na3A:
0.0
5qjqD-4na3A:
0.0
5qjqC-4na3A:
16.94
5qjqD-4na3A:
16.94
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.
6DGX_A_017A101_0
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
5 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
None
0.87A 6dgxA-4na3A:
undetectable
6dgxA-4na3A:
9.18
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.
6DH3_A_017A101_0
(PROTEASE)
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis)
6 / 12 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 440
ILE A 183
None
1.11A 6dh3A-4na3A:
undetectable
6dh3A-4na3A:
9.18