SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CLR'


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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.09A 1dyiA-4dklA:
undetectable
1dyiA-4dklA:
16.16
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster)
5 / 11 SER A 349
LEU A  73
ILE A 351
ALA A 354
SER A 356
None
None
CLR  A 604 (-4.3A)
None
CL  A 603 (-2.9A)
1.15A 1eqgB-4xnuA:
undetectable
1eqgB-4xnuA:
21.76
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.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.94A 1fm6A-3am6A:
undetectable
1fm6A-3am6A:
21.85
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.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.95A 1fm9A-3am6A:
undetectable
1fm9A-3am6A:
21.85
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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)
4bqu JAPANIN
(Rhipicephalus
appendiculatus)
4 / 5 THR A 113
LEU A 104
LYS A  89
TYR A  92
None
CLR  A 575 ( 4.7A)
None
CLR  A 575 ( 3.4A)
1.29A 1gtiF-4bquA:
undetectable
1gtiF-4bquA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster)
5 / 12 PHE A  53
ALA A 359
LEU A 279
LEU A 414
LEU A 276
CL  A 603 ( 4.8A)
None
None
None
CLR  A 604 ( 4.7A)
1.44A 1jipA-4xnuA:
0.3
1jipA-4xnuA:
23.88
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.
1K74_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.95A 1k74A-3am6A:
undetectable
1k74A-3am6A:
21.85
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus
T4;
Mus
musculus)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.06A 1tdrA-4dklA:
undetectable
1tdrA-4dklA:
16.16
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.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
1.01A 1xdkA-3am6A:
undetectable
1xdkA-3am6A:
21.85
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
1.01A 1xdkE-3am6A:
undetectable
1xdkE-3am6A:
21.85
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.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.88A 1xiuA-3am6A:
undetectable
1xiuA-3am6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.90A 1xiuB-3am6A:
undetectable
1xiuB-3am6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.94A 1xlsA-3am6A:
undetectable
1xlsA-3am6A:
21.97
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.
1XLS_B_9CRB802_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.93A 1xlsB-3am6A:
undetectable
1xlsB-3am6A:
21.97
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.
1XLS_C_9CRC803_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.93A 1xlsC-3am6A:
undetectable
1xlsC-3am6A:
21.97
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.
1XLS_D_9CRD804_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.94A 1xlsD-3am6A:
undetectable
1xlsD-3am6A:
21.97
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
4 / 5 TRP A 246
PRO A 248
LEU A 244
GLY A 240
None
CLR  A1202 (-4.1A)
None
None
1.47A 1ya4C-6aqfA:
0.5
1ya4C-6aqfA:
11.18
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)
4or2 SOLUBLE CYTOCHROME
B562, METABOTROPIC
GLUTAMATE RECEPTOR 1

(Escherichia
coli;
Homo
sapiens)
4 / 7 PRO A1056
ASP A1060
TYR A1105
THR A 653
None
None
None
CLR  A1905 (-3.4A)
1.01A 2aouB-4or2A:
undetectable
2aouB-4or2A:
19.05
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.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)
5lwe C-C CHEMOKINE
RECEPTOR TYPE 9

(Homo
sapiens)
5 / 12 LEU A  87
GLY A  65
VAL A  58
LEU A 312
PHE A 308
79K  A 401 (-4.3A)
OLA  A 412 ( 4.1A)
None
CLR  A 417 ( 4.7A)
OLA  A 402 (-4.1A)
1.01A 2zzmA-5lweA:
undetectable
2zzmA-5lweA:
22.22
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo
sapiens)
4 / 8 ASN A 198
LYS A 196
PRO A 207
PHE A 209
CLR  A1325 ( 3.9A)
None
None
None
1.42A 3bjwD-3jd8A:
undetectable
3bjwD-3jd8A:
7.25
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
3 / 3 CYH A 254
PHE A 257
PHE A 258
CLR  A1203 (-4.0A)
None
None
0.69A 3cr5X-6aqfA:
undetectable
3cr5X-6aqfA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
1.02A 3dzuA-3am6A:
undetectable
3dzuA-3am6A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
1.04A 3dzyA-3am6A:
undetectable
3dzyA-3am6A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IEO_A_AMJA300_0
(CARBONIC ANHYDRASE 2)
5sy1 STRA6
(Danio
rerio)
4 / 4 ILE A 520
GLN A 417
VAL A 521
PHE A 421
CLR  A 701 (-4.9A)
None
None
None
1.47A 3ieoA-5sy1A:
undetectable
3ieoA-5sy1A:
17.15
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL A 186
LEU A 187
VAL A 239
ALA A 243
LEU A 247
None
None
None
None
CLR  A1202 ( 4.3A)
1.02A 3ln1A-6aqfA:
undetectable
3ln1A-6aqfA:
9.97
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL A 186
LEU A 187
VAL A 239
ALA A 243
LEU A 247
None
None
None
None
CLR  A1202 ( 4.3A)
1.02A 3ln1B-6aqfA:
undetectable
3ln1B-6aqfA:
9.97
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL A 186
LEU A 187
VAL A 239
ALA A 243
LEU A 247
None
None
None
None
CLR  A1202 ( 4.3A)
1.02A 3ln1C-6aqfA:
undetectable
3ln1C-6aqfA:
9.97
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL A 186
LEU A 187
VAL A 239
ALA A 243
LEU A 247
None
None
None
None
CLR  A1202 ( 4.3A)
1.02A 3ln1D-6aqfA:
undetectable
3ln1D-6aqfA:
9.97
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.90A 3oapA-3am6A:
undetectable
3oapA-3am6A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.89A 3uvvB-3am6A:
undetectable
3uvvB-3am6A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A84_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus
laevis)
5 / 12 PRO A 137
LEU A 140
TYR A 103
VAL A 102
SER A  69
CLR  A1201 ( 4.8A)
None
None
None
None
1.48A 4a84A-6d35A:
undetectable
4a84A-6d35A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4or2 SOLUBLE CYTOCHROME
B562, METABOTROPIC
GLUTAMATE RECEPTOR 1

(Escherichia
coli;
Homo
sapiens)
4 / 6 ILE A 638
PHE A 639
GLY A 641
ILE A 597
None
None
None
CLR  A1902 ( 4.6A)
0.75A 4o8fB-4or2A:
undetectable
4o8fB-4or2A:
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos
taurus)
4 / 6 ILE A 969
PHE A1042
GLY A1040
ILE A1090
CLR  A1606 ( 4.7A)
None
None
CLR  A1606 ( 4.8A)
0.66A 4o8fB-6bhuA:
2.2
4o8fB-6bhuA:
0.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo
sapiens)
5 / 12 LEU A 146
VAL A 182
PRO A 124
TRP A 119
GLY A 111
None
None
None
None
CLR  A1203 (-4.0A)
1.31A 4q15A-5l7dA:
undetectable
4q15A-5l7dA:
21.50
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.
4URO_B_NOVB2000_1
(DNA GYRASE SUBUNIT B)
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER A  96
ASP A  95
ASP A 172
SER A  89
ARG A 173
None
CLR  A1203 (-3.7A)
None
None
None
1.15A 4uroB-5l7dA:
undetectable
4uroB-5l7dA:
16.43
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.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)
5sy1 STRA6
(Danio
rerio)
4 / 4 ILE A 520
ASN A 519
ILE A 514
VAL A 513
CLR  A 701 (-4.9A)
CLR  A 701 (-3.5A)
None
None
1.30A 4uy87-5sy1A:
undetectable
4uy87-5sy1A:
2.91
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.12A 4x5hA-4dklA:
undetectable
4x5hA-4dklA:
16.74
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.10A 4x5jA-4dklA:
undetectable
4x5jA-4dklA:
16.74
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.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster)
4 / 8 ILE A  41
LEU A  37
ILE A 351
LEU A 347
None
CLR  A 604 (-4.4A)
CLR  A 604 (-4.3A)
None
0.81A 4zvcA-4xnuA:
2.1
4zvcB-4xnuA:
2.1
4zvcA-4xnuA:
12.17
4zvcB-4xnuA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster)
4 / 8 ILE A 351
LEU A 347
ILE A  41
LEU A  37
CLR  A 604 (-4.3A)
None
None
CLR  A 604 (-4.4A)
0.80A 4zvcA-4xnuA:
2.1
4zvcB-4xnuA:
2.1
4zvcA-4xnuA:
12.17
4zvcB-4xnuA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.08A 5e8qA-4dklA:
undetectable
5e8qA-4dklA:
16.16
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.13A 5e8qB-4dklA:
undetectable
5e8qB-4dklA:
16.16
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT

(Squalus
acanthias;
Squalus
acanthias)
4 / 6 TYR A1023
ILE A 998
TYR A1001
TYR B  40
None
None
None
CLR  B3001 ( 4.0A)
1.02A 5igyA-5aw4A:
undetectable
5igyA-5aw4A:
16.21
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT

(Squalus
acanthias;
Squalus
acanthias)
4 / 6 TYR A1023
ILE A 998
TYR A1001
TYR B  40
None
None
None
CLR  B3001 ( 4.0A)
1.04A 5ih0A-5aw4A:
undetectable
5ih0A-5aw4A:
16.21
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL A 186
ALA A  99
VAL A 239
ALA A 243
LEU A 247
None
None
None
None
CLR  A1202 ( 4.3A)
1.05A 5kirB-6aqfA:
undetectable
5kirB-6aqfA:
10.30
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus
musculus;
Escherichia
virus
T4)
5 / 12 ILE A 242
ALA A 240
PHE A 237
THR A 294
ILE A 298
None
None
None
CLR  A 614 ( 4.0A)
CLR  A 614 ( 4.1A)
1.15A 5ujxB-4dklA:
undetectable
5ujxB-4dklA:
16.16
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5wvr KLLA0C04147P
(Kluyveromyces
lactis)
4 / 5 ARG A 861
MET A 862
THR A 863
LEU A 864
None
None
None
CLR  A1301 (-4.2A)
1.28A 5x19J-5wvrA:
undetectable
5x19J-5wvrA:
8.76
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5wvr KLLA0C04147P
(Kluyveromyces
lactis)
4 / 5 ARG A 861
MET A 862
THR A 863
LEU A 864
None
None
None
CLR  A1301 (-4.2A)
1.25A 5x1bJ-5wvrA:
undetectable
5x1bJ-5wvrA:
8.76
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo
sapiens)
5 / 12 LEU A 146
VAL A 182
PRO A 124
TRP A 119
GLY A 111
None
None
None
None
CLR  A1203 (-4.0A)
1.26A 5xipC-5l7dA:
undetectable
5xipC-5l7dA:
21.85
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.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.97A 5z12B-3am6A:
undetectable
5z12B-3am6A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3am6 RHODOPSIN-2
(Acetabularia
acetabulum)
5 / 12 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
0.91A 5z12C-3am6A:
undetectable
5z12C-3am6A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Homo
sapiens;
Escherichia
virus
T4)
5 / 9 LEU A  75
SER A  74
THR A 123
ILE A 127
ILE A  72
None
CLR  A1202 ( 4.9A)
None
None
None
0.96A 6ef6A-3pdsA:
1.9
6ef6A-3pdsA:
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.
6FGD_A_ACTA821_0
(GEPHYRIN)
5aw4 NA+,K+-ATPASE BETA
SUBUNIT

(Squalus
acanthias)
3 / 3 ARG B  28
PHE B  25
GLY B  27
CLR  B3001 (-3.5A)
None
None
0.74A 6fgdA-5aw4B:
undetectable
6fgdA-5aw4B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5wvr KLLA0C04147P
(Kluyveromyces
lactis)
4 / 5 ARG A 861
MET A 862
THR A 863
LEU A 864
None
None
None
CLR  A1301 (-4.2A)
1.41A 6nknJ-5wvrA:
undetectable
6nknJ-5wvrA:
8.76