SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CBI'


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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 1k72 ENDOGLUCANASE 9G
([Clostridium]
cellulolyticum) 		4 / 8 GLY A 556
GLY A 555
TRP A 128
HIS A 373
 None
None
None
CBI  A 777 (-4.1A)
 0.72A 1dbbH-1k72A:
2.8
1dbbL-1k72A:
3.0		 1dbbH-1k72A:
18.44
1dbbL-1k72A:
16.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		10 / 12 ALA A 164
TYR A 166
TYR A 192
ASP A 194
GLN A 196
GLU A 233
ASP A 235
GLU A 238
ARG A 271
ASP A 394
 None
None
None
None
CBI  A 501 (-3.8A)
None
None
CBI  A 501 ( 4.3A)
CBI  A 501 (-3.2A)
None
 0.28A 1dy4A-4haqA:
61.2		 1dy4A-4haqA:
53.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 4xeb GLUCANASE
(Talaromyces
funiculosus) 		12 / 12 ALA A 140
TYR A 142
TYR A 168
ASP A 170
SER A 171
GLN A 172
GLU A 209
ASP A 211
GLU A 214
THR A 243
ARG A 248
ASP A 373
 CE6  A 505 ( 4.7A)
CE6  A 505 (-4.3A)
None
K  A 506 (-3.2A)
K  A 506 ( 4.8A)
CBI  A 504 (-4.4A)
K  A 506 (-2.6A)
K  A 506 ( 4.7A)
CBI  A 504 ( 4.4A)
CBI  A 504 (-3.1A)
CBI  A 504 (-2.8A)
None
 0.30A 1dy4A-4xebA:
64.9		 1dy4A-4xebA:
64.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		5 / 5 HIS A 249
TRP A 392
TYR A 396
ALA A 397
TRP A 401
 None
None
CBI  A 501 (-4.5A)
CBI  A 501 ( 4.4A)
CBI  A 501 ( 3.8A)
 0.29A 1dy4A-4haqA:
61.2		 1dy4A-4haqA:
53.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 HIS A  32
TRP A 414
ALA A 504
TRP A 420
 CBI  A 701 ( 4.4A)
CBI  A 701 ( 3.9A)
None
None
 1.31A 1dy4A-4jjjA:
undetectable		 1dy4A-4jjjA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NG8_A_DVAA8_0
(GRAMICIDIN A)		 3wdy BETA-1,3-1,4-GLUCANA
SE
(Paecilomyces
sp.
'thermophila') 		4 / 4 GLY A  95
VAL A  93
TRP A  97
GLY A 119
 None
None
CBI  A 301 (-4.7A)
None
 1.35A 1ng8A-3wdyA:
undetectable		 1ng8A-3wdyA:
4.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NG8_B_DVAB8_0
(GRAMICIDIN A)		 3wdy BETA-1,3-1,4-GLUCANA
SE
(Paecilomyces
sp.
'thermophila') 		4 / 4 GLY A  95
VAL A  93
TRP A  97
GLY A 119
 None
None
CBI  A 301 (-4.7A)
None
 1.35A 1ng8B-3wdyA:
undetectable		 1ng8B-3wdyA:
4.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		3 / 3 GLU A 238
ASN A 162
TRP A 401
 CBI  A 501 ( 4.3A)
None
CBI  A 501 ( 3.8A)
 1.22A 1r15C-4haqA:
undetectable		 1r15C-4haqA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		3 / 3 GLU A 238
ASN A 162
TRP A 401
 CBI  A 501 ( 4.3A)
None
CBI  A 501 ( 3.8A)
 1.25A 1r15D-4haqA:
undetectable		 1r15D-4haqA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		3 / 3 GLU A 238
ASN A 162
TRP A 401
 CBI  A 501 ( 4.3A)
None
CBI  A 501 ( 3.8A)
 1.23A 1r15E-4haqA:
undetectable		 1r15E-4haqA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		3 / 3 GLU A 238
ASN A 162
TRP A 401
 CBI  A 501 ( 4.3A)
None
CBI  A 501 ( 3.8A)
 1.25A 1r15F-4haqA:
undetectable		 1r15F-4haqA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE3_A_SAMA302_1
(HYPOTHETICAL PROTEIN
PH0226)		 1k72 ENDOGLUCANASE 9G
([Clostridium]
cellulolyticum) 		4 / 4 TYR A 425
ARG A 315
ASP A  58
ASP A 120
 None
None
CBI  A 777 ( 4.2A)
None
 1.38A 1ve3A-1k72A:
undetectable		 1ve3A-1k72A:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE3_B_SAMB301_1
(HYPOTHETICAL PROTEIN
PH0226)		 1k72 ENDOGLUCANASE 9G
([Clostridium]
cellulolyticum) 		4 / 4 TYR A 425
ARG A 315
ASP A  58
ASP A 120
 None
None
CBI  A 777 ( 4.2A)
None
 1.40A 1ve3B-1k72A:
0.0		 1ve3B-1k72A:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPT_A_SAMA400_1
(VP39)		 1k72 ENDOGLUCANASE 9G
([Clostridium]
cellulolyticum) 		3 / 3 ASP A 124
ARG A 375
ASP A  55
 None
CBI  A 777 (-2.5A)
None
 0.94A 1vptA-1k72A:
undetectable		 1vptA-1k72A:
19.71
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.
1ZLQ_A_ACTA1507_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 1k72 ENDOGLUCANASE 9G
([Clostridium]
cellulolyticum) 		3 / 3 GLN A  20
HIS A 374
ARG A 375
 None
None
CBI  A 777 (-2.5A)
 0.83A 1zlqA-1k72A:
undetectable		 1zlqA-1k72A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		5 / 12 GLU A 582
ARG A 584
ILE A 532
GLU A  72
ASP A 586
 None
GOL  A 804 ( 4.8A)
None
CBI  A 802 ( 3.3A)
GOL  A 804 (-3.5A)
 1.38A 2qeoA-4fusA:
undetectable		 2qeoA-4fusA:
11.16
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		5 / 10 GLU A 582
ARG A 584
ILE A 532
GLU A  72
ASP A 586
 None
GOL  A 804 ( 4.8A)
None
CBI  A 802 ( 3.3A)
GOL  A 804 (-3.5A)
 1.32A 2qeoB-4fusA:
undetectable		 2qeoB-4fusA:
11.16
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		6 / 12 ASN A 200
GLU A 201
HIS A 297
TYR A 299
GLU A 342
TRP A 377
 None
CBI  A 459 ( 4.0A)
None
None
None
None
 0.77A 2v3dA-3axxA:
7.8		 2v3dA-3axxA:
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 4w7v CELLULASE
(Xanthomonas
citri) 		6 / 12 ASN A 133
GLU A 134
HIS A 204
TYR A 206
GLU A 246
TRP A 279
 None
CBI  A 401 (-2.8A)
None
CBI  A 401 (-4.5A)
None
CBI  A 402 (-4.2A)
 0.71A 2v3dA-4w7vA:
9.6		 2v3dA-4w7vA:
20.57
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		5 / 11 ASN A 200
GLU A 201
TYR A 299
GLU A 342
TRP A 377
 None
CBI  A 459 ( 4.0A)
None
None
None
 0.85A 2v3dB-3axxA:
14.8		 2v3dB-3axxA:
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 4w7v CELLULASE
(Xanthomonas
citri) 		5 / 11 ASN A 133
GLU A 134
TYR A 206
GLU A 246
TRP A 279
 None
CBI  A 401 (-2.8A)
CBI  A 401 (-4.5A)
None
CBI  A 402 (-4.2A)
 0.78A 2v3dB-4w7vA:
2.7		 2v3dB-4w7vA:
20.57
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.
2VQY_A_PARA1201_2
(AAC(6')-IB)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		3 / 3 TRP A 273
GLN A 306
TRP A 377
 CBI  A 459 (-3.9A)
CBI  A 459 (-3.4A)
None
 1.03A 2vqyA-3axxA:
undetectable		 2vqyA-3axxA:
17.69
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.
2VQY_A_PARA1201_2
(AAC(6')-IB)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		3 / 3 TRP A 377
GLN A 359
TRP A 273
 None
None
CBI  A 459 (-3.9A)
 1.34A 2vqyA-3axxA:
undetectable		 2vqyA-3axxA:
17.69
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.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		 4a05 CELLOBIOHYDROLASE
FAMILY 6
(Chaetomium
thermophilum) 		4 / 6 ASP A 165
TYR A 200
PHE A 174
LEU A 247
 CBI  A 502 (-3.0A)
None
None
None
 1.04A 2w98A-4a05A:
undetectable
2w98B-4a05A:
undetectable		 2w98A-4a05A:
20.79
2w98B-4a05A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 VAL A 252
TRP A 289
TRP A 297
 None
CBI  A 404 (-4.0A)
CBI  A 404 (-4.2A)
 1.40A 2xdcA-5xzuA:
undetectable
2xdcB-5xzuA:
undetectable		 2xdcA-5xzuA:
undetectable
2xdcB-5xzuA:
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 TRP A 297
VAL A 252
TRP A 289
 CBI  A 404 (-4.2A)
None
CBI  A 404 (-4.0A)
 1.42A 2xdcA-5xzuA:
undetectable
2xdcB-5xzuA:
undetectable		 2xdcA-5xzuA:
undetectable
2xdcB-5xzuA:
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.
2XZ5_C_ACHC1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		5 / 8 THR A 254
GLN A 255
SER A 204
TYR A 269
TYR A 212
 None
CBI  A 459 ( 4.6A)
None
None
None
 1.44A 2xz5A-3axxA:
undetectable
2xz5C-3axxA:
undetectable		 2xz5A-3axxA:
18.92
2xz5C-3axxA:
18.92
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		4 / 7 GLN A 255
SER A 204
TYR A 269
TYR A 212
 CBI  A 459 ( 4.6A)
None
None
None
 1.41A 2xz5D-3axxA:
undetectable
2xz5E-3axxA:
undetectable		 2xz5D-3axxA:
18.92
2xz5E-3axxA:
18.92
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 VAL A 252
TRP A 289
TRP A 297
 None
CBI  A 404 (-4.0A)
CBI  A 404 (-4.2A)
 1.41A 2y5mA-5xzuA:
undetectable
2y5mB-5xzuA:
undetectable		 2y5mA-5xzuA:
undetectable
2y5mB-5xzuA:
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.
2Y5M_B_DVAB8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		4 / 4 VAL A 288
TRP A 297
VAL A 252
TRP A 289
 None
CBI  A 404 (-4.2A)
None
CBI  A 404 (-4.0A)
 1.41A 2y5mA-5xzuA:
undetectable
2y5mB-5xzuA:
undetectable		 2y5mA-5xzuA:
undetectable
2y5mB-5xzuA:
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 VAL A 252
TRP A 289
TRP A 297
 None
CBI  A 404 (-4.0A)
CBI  A 404 (-4.2A)
 1.41A 2y6nA-5xzuA:
undetectable
2y6nB-5xzuA:
undetectable		 2y6nA-5xzuA:
undetectable
2y6nB-5xzuA:
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 TRP A 297
VAL A 252
TRP A 289
 CBI  A 404 (-4.2A)
None
CBI  A 404 (-4.0A)
 1.41A 2y6nA-5xzuA:
undetectable
2y6nB-5xzuA:
undetectable		 2y6nA-5xzuA:
undetectable
2y6nB-5xzuA:
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4a05 CELLOBIOHYDROLASE
FAMILY 6
(Chaetomium
thermophilum) 		5 / 12 LEU A 469
GLY A 428
GLY A 427
PRO A 426
ALA A 140
 None
None
None
CBI  A 502 (-4.3A)
None
 1.22A 3i5uA-4a05A:
undetectable		 3i5uA-4a05A:
21.91
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.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		 4a05 CELLOBIOHYDROLASE
FAMILY 6
(Chaetomium
thermophilum) 		5 / 12 LEU A 469
GLY A 428
GLY A 427
PRO A 426
ALA A 140
 None
None
None
CBI  A 502 (-4.3A)
None
 1.21A 3i5uB-4a05A:
undetectable		 3i5uB-4a05A:
21.91
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		4 / 8 ASP A 235
GLY A 280
GLU A 238
ARG A 271
 None
None
CBI  A 501 ( 4.3A)
CBI  A 501 (-3.2A)
 1.03A 3s3nA-4haqA:
undetectable		 3s3nA-4haqA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 4xeb GLUCANASE
(Talaromyces
funiculosus) 		4 / 8 ASP A 211
GLY A 257
GLU A 214
ARG A 248
 K  A 506 ( 4.7A)
None
CBI  A 504 ( 4.4A)
CBI  A 504 (-2.8A)
 0.94A 3s3nA-4xebA:
undetectable		 3s3nA-4xebA:
19.83
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.
3VYW_A_SAMA501_1
(MNMC2)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		4 / 6 GLU A 249
ASP A 290
ASN A  49
GLU A  92
 CBI  A 404 (-2.7A)
None
CBI  A 404 (-3.2A)
CBI  A 404 (-3.8A)
 1.08A 3vywA-5xzuA:
undetectable		 3vywA-5xzuA:
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.
3VYW_D_SAMD401_1
(MNMC2)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		4 / 5 GLU A 249
ASP A 290
ASN A  49
GLU A  92
 CBI  A 404 (-2.7A)
None
CBI  A 404 (-3.2A)
CBI  A 404 (-3.8A)
 1.08A 3vywD-5xzuA:
1.5		 3vywD-5xzuA:
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.
3W9T_D_W9TD507_1
(HEMOLYTIC LECTIN
CEL-III)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		4 / 5 ASP A 364
GLU A 412
GLY A 414
ASP A 282
 CBI  A 501 ( 3.9A)
TRS  A 503 (-2.7A)
None
CBI  A 501 ( 3.8A)
 0.93A 3w9tD-4haqA:
undetectable		 3w9tD-4haqA:
23.16
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 VAL A 252
TRP A 289
TRP A 297
 None
CBI  A 404 (-4.0A)
CBI  A 404 (-4.2A)
 1.38A 3zq8A-5xzuA:
undetectable
3zq8B-5xzuA:
undetectable		 3zq8A-5xzuA:
undetectable
3zq8B-5xzuA:
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 5xzu BETA-XYLANASE
(Bispora
sp.
MEY-1) 		3 / 3 TRP A 297
VAL A 288
TRP A 289
 CBI  A 404 (-4.2A)
None
CBI  A 404 (-4.0A)
 0.96A 3zq8C-5xzuA:
undetectable
3zq8D-5xzuA:
undetectable		 3zq8C-5xzuA:
undetectable
3zq8D-5xzuA:
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.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Bacillus
pumilus) 		5 / 9 GLY A 413
ASN A 502
SER A 685
GLY A 536
ASP A 534
 None
None
CBI  A 804 ( 4.7A)
None
CBI  A 804 (-3.0A)
 1.30A 3ztvA-5bv9A:
undetectable		 3ztvA-5bv9A:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		9 / 9 ASN A 162
ALA A 164
TYR A 166
TYR A 192
ASP A 194
GLU A 233
ASP A 235
GLU A 238
TRP A 392
 None
None
None
None
None
None
None
CBI  A 501 ( 4.3A)
None
 0.43A 4ipmA-4haqA:
71.5		 4ipmA-4haqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 4xeb GLUCANASE
(Talaromyces
funiculosus) 		9 / 9 ASN A 138
ALA A 140
TYR A 142
TYR A 168
ASP A 170
GLU A 209
ASP A 211
GLU A 214
TRP A 371
 None
CE6  A 505 ( 4.7A)
CE6  A 505 (-4.3A)
None
K  A 506 (-3.2A)
K  A 506 (-2.6A)
K  A 506 ( 4.7A)
CBI  A 504 ( 4.4A)
CE6  A 505 (-3.7A)
 0.49A 4ipmA-4xebA:
62.3		 4ipmA-4xebA:
52.04
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		4 / 6 THR A 205
THR A 217
HIS A  64
LEU A 181
 None
None
CBI  A 802 (-4.4A)
None
 1.04A 4pgfA-4fusA:
undetectable		 4pgfA-4fusA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 THR A 174
THR A 186
HIS A  32
LEU A 149
 None
None
CBI  A 701 ( 4.4A)
None
 1.04A 4pgfA-4jjjA:
undetectable		 4pgfA-4jjjA:
19.75
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		4 / 5 THR A 217
THR A 219
THR A  81
HIS A  64
 None
None
ACT  A 812 ( 3.9A)
CBI  A 802 (-4.4A)
 1.32A 4pgfB-4fusA:
undetectable		 4pgfB-4fusA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3wdy BETA-1,3-1,4-GLUCANA
SE
(Paecilomyces
sp.
'thermophila') 		5 / 12 GLY A 119
HIS A 127
ASP A 115
THR A 248
SER A  68
 None
None
CBI  A 301 (-3.7A)
None
None
 1.21A 4pooA-3wdyA:
undetectable		 4pooA-3wdyA:
19.06
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 4haq GH7 FAMILY PROTEIN
(Limnoria
quadripunctata) 		4 / 5 TYR A 192
SER A 390
ASP A 235
ASP A 282
 None
None
None
CBI  A 501 ( 3.8A)
 1.27A 4qtuB-4haqA:
undetectable		 4qtuB-4haqA:
19.26
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 4w7v CELLULASE
(Xanthomonas
citri) 		4 / 7 GLU A 202
THR A 277
GLY A 245
HIS A  90
 None
None
None
CBI  A 402 ( 4.7A)
 1.00A 4qwpB-4w7vA:
undetectable		 4qwpB-4w7vA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZU_C_Y70C504_1
(PROTEIN CEREBLON)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		4 / 7 THR A 386
HIS A 297
TRP A 272
TRP A 273
 None
None
None
CBI  A 459 (-3.9A)
 1.24A 4tzuB-3axxA:
0.0
4tzuC-3axxA:
0.0		 4tzuB-3axxA:
12.42
4tzuC-3axxA:
12.42
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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		5 / 12 ILE A 532
ARG A 648
ALA A 580
LEU A 530
PHE A 448
 None
CBI  A 802 (-3.7A)
None
None
None
 1.26A 4zo1X-4fusA:
undetectable		 4zo1X-4fusA:
16.85
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 3wdy BETA-1,3-1,4-GLUCANA
SE
(Paecilomyces
sp.
'thermophila') 		5 / 12 GLY A  28
ASP A  24
PRO A  25
GLU A  72
TRP A  97
 None
None
None
None
CBI  A 301 (-4.7A)
 1.05A 5bw4A-3wdyA:
undetectable		 5bw4A-3wdyA:
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		 3s4d LACTOSE
PHOSPHORYLASE
(Cellulomonas
uda) 		4 / 7 PHE A 597
TRP A 488
ASP A 422
SER A 518
 None
CBI  A 824 (-2.7A)
None
None
 1.37A 5nr3A-3s4dA:
undetectable		 5nr3A-3s4dA:
10.25
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3k4z GLYCOSIDE HYDROLASE
FAMILY 9
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 100
THR A 148
ARG A  73
GLN A  71
 None
None
CBI  A 294 (-3.2A)
CBI  A 294 (-3.0A)
 1.36A 5tzoC-3k4zA:
undetectable		 5tzoC-3k4zA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		3 / 3 GLU A  79
TRP A 180
HIS A  64
 None
GOL  A 805 (-3.7A)
CBI  A 802 (-4.4A)
 0.75A 5xipA-4fusA:
undetectable		 5xipA-4fusA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		4 / 8 THR A 386
HIS A 297
TRP A 272
TRP A 273
 None
None
None
CBI  A 459 (-3.9A)
 1.25A 5yj1k-3axxA:
undetectable
5yj1t-3axxA:
undetectable		 5yj1k-3axxA:
12.97
5yj1t-3axxA:
12.97
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 ASP A 498
GLN A 623
VAL A 499
ALA A  41
 CBI  A 701 ( 3.1A)
None
None
CBI  A 701 ( 3.9A)
 1.15A 6djzB-4jjjA:
undetectable		 6djzB-4jjjA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FK2_A_SORA302_0
(GALECTIN-3)		 4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN
(Hahella
chejuensis) 		4 / 4 ARG A 584
GLU A 582
GLU A  72
ARG A 648
 GOL  A 804 ( 4.8A)
None
CBI  A 802 ( 3.3A)
CBI  A 802 (-3.7A)
 1.15A 6fk2A-4fusA:
undetectable		 6fk2A-4fusA:
11.77
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.
6FK2_A_SORA302_0
(GALECTIN-3)		 5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Bacillus
pumilus) 		4 / 4 ARG A 592
GLU A 590
GLU A  38
ARG A 682
 CBI  A 804 ( 4.5A)
None
CBI  A 804 (-3.5A)
CBI  A 804 (-3.5A)
 1.09A 6fk2A-5bv9A:
undetectable		 6fk2A-5bv9A:
11.96
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3wdy BETA-1,3-1,4-GLUCANA
SE
(Paecilomyces
sp.
'thermophila') 		4 / 8 ASP A 252
HIS A 127
GLU A 118
ASP A 115
 CBI  A 301 (-4.5A)
None
CBI  A 301 (-3.0A)
CBI  A 301 (-3.7A)
 1.00A 6mn4A-3wdyA:
undetectable		 6mn4A-3wdyA:
22.26
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.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE
(Pyrococcus
horikoshii) 		4 / 8 ASP A 385
HIS A 203
GLU A 201
GLU A  72
 None
None
CBI  A 459 ( 4.0A)
None
 1.27A 6mn4C-3axxA:
undetectable		 6mn4C-3axxA:
20.94