SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4hjl'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_D_DVAD8_0
(GRAMICIDIN A)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
3 / 3 VAL A 260
VAL A 348
TRP A 358
None
0.85A 1av2C-4hjlA:
undetectable
1av2D-4hjlA:
undetectable
1av2C-4hjlA:
4.48
1av2D-4hjlA:
4.48
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.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 9 VAL A   9
TYR A 413
TYR A 417
GLY A  13
LEU A 383
None
None
None
None
EDO  A 505 ( 4.8A)
1.46A 1ikvA-4hjlA:
undetectable
1ikvA-4hjlA:
23.33
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.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 10 VAL A   9
TYR A 413
TYR A 417
GLY A  13
LEU A 383
None
None
None
None
EDO  A 505 ( 4.8A)
1.45A 1ikwA-4hjlA:
undetectable
1ikwA-4hjlA:
23.33
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 11 SER A 244
GLY A 164
LEU A 163
GLY A 249
TYR A 149
None
1.42A 1iolA-4hjlA:
undetectable
1iolA-4hjlA:
22.77
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
5 / 11 ALA B 124
ARG B 175
LEU B 172
GLU B  40
LEU B  37
None
0.99A 1mjlA-4hjlB:
undetectable
1mjlB-4hjlB:
undetectable
1mjlA-4hjlB:
22.65
1mjlB-4hjlB:
22.65
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 6 PHE A 432
ARG A 418
ALA A 422
ILE A  34
None
1.10A 1oniH-4hjlA:
undetectable
1oniI-4hjlA:
undetectable
1oniH-4hjlA:
14.62
1oniI-4hjlA:
14.62
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.
1VPT_A_SAMA400_0
(VP39)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 12 LEU A 269
GLY A 311
GLY A 259
ALA A 345
LEU A 182
None
0.79A 1vptA-4hjlA:
undetectable
1vptA-4hjlA:
20.85
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.
1VRT_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 9 VAL A   9
TYR A 413
TYR A 417
GLY A  13
LEU A 383
None
None
None
None
EDO  A 505 ( 4.8A)
1.46A 1vrtA-4hjlA:
0.9
1vrtA-4hjlA:
23.20
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.
1W5U_D_DVAD8_0
(GRAMICIDIN D)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
3 / 3 VAL A 260
VAL A 348
TRP A 358
None
0.87A 1w5uC-4hjlA:
undetectable
1w5uD-4hjlA:
undetectable
1w5uC-4hjlA:
4.48
1w5uD-4hjlA:
4.48
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 12 PHE A 224
GLY A 251
LEU A 307
MET A 306
LEU A 170
None
None
15O  A 503 ( 4.6A)
None
None
0.97A 1ya4A-4hjlA:
undetectable
1ya4A-4hjlA:
22.91
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 12 PHE A 224
SER A 305
LEU A 307
MET A 306
LEU A 170
None
None
15O  A 503 ( 4.6A)
None
None
1.04A 1ya4A-4hjlA:
undetectable
1ya4A-4hjlA:
22.91
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
4 / 6 LEU B  37
LEU B  36
LEU B 172
LEU B  44
None
0.94A 2ab2A-4hjlB:
undetectable
2ab2A-4hjlB:
21.82
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.
2HS1_B_017B203_1
(HIV-1 PROTEASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 GLU A 113
PRO A  51
LYS A  97
GLY A 109
None
1.18A 2hs1B-4hjlA:
undetectable
2hs1B-4hjlA:
11.57
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.
2QD4_B_CHDB926_0
(FERROCHELATASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 10 LEU A 296
ILE A 291
ARG A 288
VAL A 403
GLY A 401
None
1.24A 2qd4B-4hjlA:
undetectable
2qd4B-4hjlA:
24.22
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18;
Pseudomonas
sp.
C18)
3 / 3 MET B 190
GLU B  89
ASP A 264
EDO  B 201 (-4.1A)
None
None
1.01A 3a25A-4hjlB:
undetectable
3a25A-4hjlB:
22.65
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 9 VAL A 300
LEU A 170
SER A 244
ILE A 148
GLY A 150
None
1.09A 3cv9A-4hjlA:
undetectable
3cv9A-4hjlA:
22.02
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.
3L8L_D_DVAD8_0
(GRAMICIDIN D)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
3 / 3 VAL A 260
VAL A 348
TRP A 358
None
0.94A 3l8lC-4hjlA:
undetectable
3l8lD-4hjlA:
undetectable
3l8lC-4hjlA:
4.48
3l8lD-4hjlA:
4.48
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
4 / 8 ASP A 361
SER A 360
LEU B 102
ASP B 103
None
1.02A 3m0wE-4hjlA:
undetectable
3m0wF-4hjlA:
undetectable
3m0wG-4hjlA:
undetectable
3m0wH-4hjlA:
undetectable
3m0wE-4hjlA:
10.54
3m0wF-4hjlA:
10.54
3m0wG-4hjlA:
10.54
3m0wH-4hjlA:
10.54
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.
3OXC_A_ROCA401_2
(PROTEASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
3 / 3 ARG B 182
LEU B  70
THR A  56
EDO  A 507 (-4.2A)
None
EDO  A 507 (-4.5A)
0.85A 3oxcA-4hjlB:
undetectable
3oxcA-4hjlB:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 10 VAL A   9
TYR A 413
TYR A 417
GLY A  13
LEU A 383
None
None
None
None
EDO  A 505 ( 4.8A)
1.46A 3qipA-4hjlA:
undetectable
3qipA-4hjlA:
23.20
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 PRO A 235
GLY A 237
ALA A 238
TRP A 254
None
0.70A 3ur0B-4hjlA:
undetectable
3ur0B-4hjlA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQ8_B_DVAB8_0
(VAL-GRAMICIDIN A)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18;
Pseudomonas
sp.
C18)
3 / 3 TRP A 211
VAL A 209
TRP B 107
None
1.47A 3zq8A-4hjlA:
undetectable
3zq8B-4hjlA:
undetectable
3zq8A-4hjlA:
4.48
3zq8B-4hjlA:
4.48
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 ASN A  38
ARG A  37
GLY A 247
TYR A 246
None
0.91A 4cp3A-4hjlA:
undetectable
4cp3B-4hjlA:
undetectable
4cp3A-4hjlA:
15.22
4cp3B-4hjlA:
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.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
3 / 3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.16A 4d7hA-4hjlA:
undetectable
4d7hA-4hjlA:
23.40
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.
4MMC_A_29JA603_1
(TRANSPORTER)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 10 ASP A 361
VAL A 260
GLY A 356
SER A 216
GLY A 220
None
1.41A 4mmcA-4hjlA:
undetectable
4mmcA-4hjlA:
19.92
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 6 VAL A 402
SER A  12
ALA A 422
PHE A 432
None
1.19A 4nedA-4hjlA:
undetectable
4nedA-4hjlA:
19.96
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 PHE A 174
ILE A 331
PHE A  41
ASN A 304
None
1.07A 4o7gA-4hjlA:
undetectable
4o7gB-4hjlA:
undetectable
4o7gA-4hjlA:
19.55
4o7gB-4hjlA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O7G_B_ASCB304_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 6 PHE A 174
ILE A 331
PHE A  41
ASN A 304
None
1.09A 4o7gB-4hjlA:
undetectable
4o7gB-4hjlA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
3 / 3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.10A 4ug5A-4hjlA:
undetectable
4ug5A-4hjlA:
23.40
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.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
3 / 3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.17A 4uglA-4hjlA:
undetectable
4uglA-4hjlA:
23.40
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.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.90A 4zdzA-4hjlA:
undetectable
4zdzA-4hjlA:
23.19
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.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.91A 4ze3A-4hjlA:
undetectable
4ze3A-4hjlA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18;
Pseudomonas
sp.
C18)
5 / 12 ASP A 361
SER A 215
ASN B 106
ASN B 188
VAL B 191
None
None
None
None
EDO  B 201 (-4.5A)
1.47A 5d0yA-4hjlA:
undetectable
5d0yA-4hjlA:
19.56
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18;
Pseudomonas
sp.
C18)
5 / 12 ASP A 361
SER A 215
ASN B 106
ASN B 188
VAL B 191
None
None
None
None
EDO  B 201 (-4.5A)
1.46A 5d0yB-4hjlA:
undetectable
5d0yB-4hjlA:
19.56
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.
5DZK_2_BEZ2801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 4 LEU A  47
ARG A  68
ILE A  48
ILE A  74
None
0.96A 5dzk2-4hjlA:
undetectable
5dzkM-4hjlA:
undetectable
5dzkN-4hjlA:
undetectable
5dzk2-4hjlA:
0.52
5dzkM-4hjlA:
19.60
5dzkN-4hjlA:
19.60
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.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 8 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.88A 5esfA-4hjlA:
undetectable
5esfA-4hjlA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 8 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.92A 5esjA-4hjlA:
undetectable
5esjA-4hjlA:
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.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 7 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.90A 5esmA-4hjlA:
undetectable
5esmA-4hjlA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
3 / 3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.16A 5g6cA-4hjlA:
undetectable
5g6cA-4hjlA:
23.40
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.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 8 PHE A 432
GLY A 247
THR A 243
LEU A 443
None
0.85A 5hs1A-4hjlA:
undetectable
5hs1A-4hjlA:
22.71
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18)
5 / 10 VAL A  55
GLU B  69
LEU A 159
ALA A  57
PRO A 186
None
EDO  A 507 (-3.7A)
None
None
EDO  A 507 (-4.3A)
1.24A 5mm4B-4hjlA:
undetectable
5mm4B-4hjlA:
12.43
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 12 SER A 406
ALA A 206
GLY A 204
GLY A 390
SER A 412
None
15O  A 503 ( 4.3A)
None
None
None
0.93A 5w4zB-4hjlA:
undetectable
5w4zB-4hjlA:
11.32
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 6 LYS A 136
LEU A 135
PHE A 108
LEU A  88
None
1.22A 5x19P-4hjlA:
undetectable
5x19P-4hjlA:
19.69
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.
5X7F_A_SAMA301_1
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
sp.
C18;
Pseudomonas
sp.
C18)
4 / 4 SER A 219
ASP A 361
HIS A 213
ASP B 103
None
None
FE  A 502 (-3.2A)
None
1.47A 5x7fA-4hjlA:
undetectable
5x7fA-4hjlA:
21.08
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
4 / 6 TYR A 417
LEU A  19
GLU A  30
LEU A  26
None
1.43A 5xooA-4hjlA:
undetectable
5xooA-4hjlA:
11.55
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.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
sp.
C18)
5 / 12 HIS A 261
GLY A 178
PHE A 147
THR A 308
GLY A 311
None
1.11A 6brdB-4hjlA:
undetectable
6brdB-4hjlA:
11.66