SIMILAR PATTERNS OF AMINO ACIDS FOR 1DY4_A_SNPA437_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1dyp KAPPA-CARRAGEENASE

(Pseudoalteromonas
carrageenovora)
PF00722
(Glyco_hydro_16)
5 ALA A 142
TYR A  64
GLU A 163
ASP A 165
GLU A 168
None
None
None
None
CL  A1307 ( 4.3A)
1.15A 1dy4A-1dypA:
11.1
1dy4A-1dypA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei)
PF00840
(Glyco_hydro_7)
7 TYR A 146
TYR A 170
ASP A 172
GLN A 174
GLU A 196
ASP A 198
GLU A 201
None
0.39A 1dy4A-1eg1A:
48.7
1dy4A-1eg1A:
43.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei)
PF00840
(Glyco_hydro_7)
5 TYR A 146
TYR A 170
ASP A 198
GLU A 201
ASP A 322
None
0.71A 1dy4A-1eg1A:
48.7
1dy4A-1eg1A:
43.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882


(Lophonetta
specularioides)
PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg)
5 ALA A 214
TYR A 189
TYR A 201
ASP A 207
SER A 204
None
1.45A 1dy4A-1h8lA:
undetectable
1dy4A-1h8lA:
20.04
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE


(Salvia
officinalis)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
5 ALA A 425
TYR A 426
ASP A 351
GLU A 429
THR A 500
None
MG  A 701 ( 4.8A)
MG  A 703 (-2.4A)
MG  A 701 (-4.6A)
MG  A 702 ( 2.7A)
1.24A 1dy4A-1n21A:
undetectable
1dy4A-1n21A:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum)
PF00840
(Glyco_hydro_7)
8 ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLN A 175
GLU A 197
ASP A 199
GLU A 202
DP5  A 401 (-3.6A)
DP5  A 401 (-3.5A)
None
DP5  A 401 (-3.4A)
DP5  A 401 (-4.2A)
DP5  A 401 ( 2.5A)
DP5  A 401 (-3.0A)
DP5  A 401 ( 2.9A)
0.35A 1dy4A-1ovwA:
51.3
1dy4A-1ovwA:
39.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q2e EXOCELLOBIOHYDROLASE
I


(Trichoderma
reesei)
PF00840
(Glyco_hydro_7)
10 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
ASP A 369
None
None
None
None
None
GLC  A 904 (-3.5A)
None
GLC  A 904 (-3.9A)
GLC  A 904 (-2.9A)
None
0.30A 1dy4A-1q2eA:
70.9
1dy4A-1q2eA:
97.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN


(Rasamsonia
emersonii)
PF00840
(Glyco_hydro_7)
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
None
0.28A 1dy4A-1q9hA:
64.4
1dy4A-1q9hA:
66.06
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE


(Bacillus
subtilis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 307
SER A  31
GLU A  47
THR A  51
ARG A  24
None
None
None
None
GLU  A2471 (-3.8A)
1.48A 1dy4A-1tkkA:
undetectable
1dy4A-1tkkA:
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.
1uj2 URIDINE-CYTIDINE
KINASE 2


(Homo sapiens)
PF00485
(PRK)
5 ALA A 139
SER A  34
GLU A 135
ARG A 174
ASP A  84
None
MG  A2303 ( 2.3A)
MG  A2303 ( 4.6A)
C5P  A2301 (-3.9A)
C5P  A2301 (-2.8A)
1.12A 1dy4A-1uj2A:
undetectable
1dy4A-1uj2A:
17.87
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.
1un1 XYLOGLUCAN
ENDOTRANSGLYCOSYLASE


(Populus tremula)
PF00722
(Glyco_hydro_16)
PF06955
(XET_C)
5 ALA A  73
TYR A  75
GLU A  85
ASP A  87
GLU A  89
None
0.50A 1dy4A-1un1A:
11.4
1dy4A-1un1A:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z3v CELLULASE

(Phanerochaete
chrysosporium)
PF00840
(Glyco_hydro_7)
10 ALA A 140
TYR A 142
ASP A 170
SER A 171
GLN A 172
GLU A 207
ASP A 209
GLU A 212
ARG A 240
ASP A 366
None
None
None
None
LAT  A 500 (-3.3A)
None
None
LAT  A 500 ( 4.5A)
LAT  A 500 (-3.1A)
None
0.54A 1dy4A-1z3vA:
62.2
1dy4A-1z3vA:
55.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z3v CELLULASE

(Phanerochaete
chrysosporium)
PF00840
(Glyco_hydro_7)
10 ALA A 140
TYR A 142
TYR A 168
ASP A 170
SER A 171
GLN A 172
GLU A 207
ASP A 209
GLU A 212
ASP A 366
None
None
None
None
None
LAT  A 500 (-3.3A)
None
None
LAT  A 500 ( 4.5A)
None
0.24A 1dy4A-1z3vA:
62.2
1dy4A-1z3vA:
55.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a39 ENDOGLUCANASE I

(Humicola
insolens)
PF00840
(Glyco_hydro_7)
9 ALA A 145
TYR A 147
TYR A 171
ASP A 173
GLN A 175
GLU A 197
ASP A 199
GLU A 202
ASP A 349
None
0.53A 1dy4A-2a39A:
50.6
1dy4A-2a39A:
40.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f37 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2


(Homo sapiens)
PF12796
(Ank_2)
5 TYR A 207
ASP A 242
SER A 243
GLN A 244
GLU A 210
None
1.38A 1dy4A-2f37A:
undetectable
1dy4A-2f37A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE


(Pseudomonas
aeruginosa)
PF00682
(HMGL-like)
5 ALA A  78
TYR A  44
TYR A 172
SER A 175
GLU A  46
None
1.22A 1dy4A-2ftpA:
undetectable
1dy4A-2ftpA:
20.83
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.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus)
PF02585
(PIG-L)
5 ALA A  60
SER A 177
GLN A 178
GLU A  56
ASP A  15
None
None
None
None
ZN  A1234 ( 2.1A)
0.99A 1dy4A-2ixdA:
undetectable
1dy4A-2ixdA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Melanocarpus
albomyces)
PF00840
(Glyco_hydro_7)
11 ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 368
CTR  A 431 ( 4.6A)
CTR  A 431 (-3.8A)
None
CTR  A 431 (-3.0A)
CTR  A 431 (-3.3A)
CTR  A 431 (-3.3A)
CTR  A 431 (-4.2A)
CTR  A 431 (-3.1A)
CTR  A 431 (-4.2A)
CTR  A 431 (-3.4A)
None
0.72A 1dy4A-2rfzA:
61.9
1dy4A-2rfzA:
50.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Heterobasidion
annosum)
PF00840
(Glyco_hydro_7)
10 ALA A 145
TYR A 147
TYR A 173
ASP A 175
GLN A 177
GLU A 214
ASP A 216
GLU A 219
ARG A 251
ASP A 377
None
0.26A 1dy4A-2yg1A:
61.7
1dy4A-2yg1A:
56.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum)
PF00840
(Glyco_hydro_7)
12 ALA A 156
TYR A 158
TYR A 184
ASP A 186
SER A 187
GLN A 188
GLU A 225
ASP A 227
GLU A 230
THR A 259
ARG A 264
ASP A 382
None
None
None
None
None
None
None
None
None
PEG  A1445 (-3.5A)
PEG  A1445 (-3.3A)
None
0.48A 1dy4A-2yokA:
69.7
1dy4A-2yokA:
82.56
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.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis)
PF00722
(Glyco_hydro_16)
5 ALA A  77
TYR A  79
GLU A  92
ASP A  94
GLU A  96
None
0.47A 1dy4A-3d6eA:
10.7
1dy4A-3d6eA:
20.64
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.
3dwk PENICILLIN-BINDING
PROTEIN 2


(Staphylococcus
aureus)
PF00905
(Transpeptidase)
PF00912
(Transgly)
5 TYR A 210
ASP A 199
SER A 198
ASP A 241
ASP A 383
None
1.46A 1dy4A-3dwkA:
undetectable
1dy4A-3dwkA:
21.54
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA


(Shigella
dysenteriae)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
5 ALA A 221
GLN A  59
GLU A 191
THR A  39
ARG A  43
None
1.36A 1dy4A-3fhhA:
undetectable
1dy4A-3fhhA:
22.84
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.
3ipi GERANYLTRANSTRANSFER
ASE


(Methanosarcina
mazei)
PF00348
(polyprenyl_synt)
5 ASP A  90
SER A  86
THR A 175
ARG A  54
ASP A 215
None
None
None
MLA  A 305 (-4.0A)
None
1.43A 1dy4A-3ipiA:
undetectable
1dy4A-3ipiA:
21.09
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803)
PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
5 ALA A 405
TYR A 266
ASP A 267
GLN A 270
THR A 317
None
1.30A 1dy4A-3l76A:
undetectable
1dy4A-3l76A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozy PUTATIVE MANDELATE
RACEMASE


(Bordetella
bronchiseptica)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 251
SER A 145
ASP A 201
GLU A 227
ASP A 277
None
None
MG  A 390 (-2.8A)
MG  A 390 (-3.1A)
None
1.34A 1dy4A-3ozyA:
undetectable
1dy4A-3ozyA:
19.82
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.
3uca GERANYLTRANSTRANSFER
ASE


(Clostridium
perfringens)
PF00348
(polyprenyl_synt)
5 ASP A  91
SER A  87
THR A 188
ARG A  55
ASP A 228
None
1.44A 1dy4A-3ucaA:
undetectable
1dy4A-3ucaA:
20.13
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum)
PF13378
(MR_MLE_C)
5 ALA A 266
TYR A 243
SER A 146
GLU A 245
ASP A 292
None
None
None
MG  A 425 ( 2.8A)
None
1.07A 1dy4A-3va8A:
undetectable
1dy4A-3va8A:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4csi CELLULASE

(Humicola grisea)
PF00840
(Glyco_hydro_7)
10 ALA A 144
TYR A 146
TYR A 172
ASP A 174
GLN A 176
GLU A 213
ASP A 215
GLU A 218
ARG A 252
ASP A 374
PEG  A1439 (-3.6A)
PEG  A1439 (-3.9A)
None
PEG  A1439 ( 3.9A)
PEG  A1439 (-3.4A)
PEG  A1439 (-2.8A)
PEG  A1439 ( 3.9A)
PEG  A1439 (-3.5A)
None
None
0.27A 1dy4A-4csiA:
64.4
1dy4A-4csiA:
59.10
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Thermobispora
bispora)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 263
TYR A 240
SER A 143
GLU A 242
ASP A 289
None
1.08A 1dy4A-4dhgA:
undetectable
1dy4A-4dhgA:
21.33
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.
4ejs ELONGATOR COMPLEX
PROTEIN 5
ELONGATOR COMPLEX
PROTEIN 6


(Saccharomyces
cerevisiae)
PF10483
(Elong_Iki1)
no annotation
5 ALA C 243
TYR B  57
ASP B 107
SER B 108
THR B  76
None
1.23A 1dy4A-4ejsC:
undetectable
1dy4A-4ejsC:
20.54
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1


(Caenorhabditis
elegans)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
5 ALA A 308
SER A 822
GLU A 267
THR A 868
ARG A 873
None
1.31A 1dy4A-4f4cA:
undetectable
1dy4A-4f4cA:
15.29
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.
4gis ENOLASE

(Vibrio harveyi)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 TYR A 124
GLU A 231
ASP A 232
GLU A 257
ASP A 311
None
MG  A 405 (-2.7A)
MG  A 405 ( 4.8A)
MG  A 405 ( 2.4A)
GOL  A 404 (-2.8A)
1.46A 1dy4A-4gisA:
undetectable
1dy4A-4gisA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata)
PF00840
(Glyco_hydro_7)
10 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE


(Pseudomonas
fluorescens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 267
TYR A 244
SER A 145
GLU A 246
ASP A 293
None
None
None
MG  A 501 (-2.8A)
None
1.15A 1dy4A-4it1A:
undetectable
1dy4A-4it1A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kws D-MANNONATE
DEHYDRATASE


(Chromohalobacter
salexigens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 TYR A 122
GLU A 239
ASP A 240
GLU A 265
ASP A 319
None
MG  A 501 (-2.8A)
MG  A 501 ( 4.7A)
MG  A 501 ( 2.5A)
GOL  A 502 (-2.8A)
1.48A 1dy4A-4kwsA:
undetectable
1dy4A-4kwsA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus)
PF00840
(Glyco_hydro_7)
12 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 376
None
None
None
None
None
U63  A1443 (-4.4A)
None
None
U63  A1443 ( 4.3A)
U63  A1443 (-4.0A)
U63  A1443 (-3.0A)
U63  A1443 ( 4.9A)
0.34A 1dy4A-4v20A:
65.2
1dy4A-4v20A:
64.94
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.
4woj ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE


(Francisella
tularensis)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
5 ALA A 352
ASP A  26
SER A  24
GLU A 353
ASP A 112
None
1.39A 1dy4A-4wojA:
undetectable
1dy4A-4wojA:
20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xeb GLUCANASE

(Talaromyces
funiculosus)
PF00840
(Glyco_hydro_7)
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Dictyostelium
purpureum)
PF00840
(Glyco_hydro_7)
10 ALA A 142
TYR A 144
TYR A 170
ASP A 172
GLN A 174
GLU A 211
ASP A 213
GLU A 216
ARG A 250
ASP A 375
None
0.47A 1dy4A-4zzpA:
63.9
1dy4A-4zzpA:
58.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Dictyostelium
purpureum)
PF00840
(Glyco_hydro_7)
6 ALA A 142
TYR A 144
TYR A 170
ASP A 172
GLU A 211
THR A 246
None
0.97A 1dy4A-4zzpA:
63.9
1dy4A-4zzpA:
58.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Dictyostelium
discoideum)
PF00840
(Glyco_hydro_7)
10 ALA A 142
TYR A 144
TYR A 170
ASP A 172
GLN A 174
GLU A 211
ASP A 213
GLU A 216
ARG A 250
ASP A 375
None
0.42A 1dy4A-4zzqA:
63.6
1dy4A-4zzqA:
59.59
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.
5aeb LRA-12

(uncultured
bacterium BLR12)
PF00753
(Lactamase_B)
5 ALA A 155
TYR A 154
TYR A 243
SER A 200
GLN A 116
None
None
None
None
ZN  A1308 ( 2.5A)
1.46A 1dy4A-5aebA:
undetectable
1dy4A-5aebA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus)
PF00840
(Glyco_hydro_7)
11 ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 373
None
0.32A 1dy4A-5ampA:
64.2
1dy4A-5ampA:
63.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus)
PF00840
(Glyco_hydro_7)
10 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
THR A 246
ARG A 251
None
0.60A 1dy4A-5ampA:
64.2
1dy4A-5ampA:
63.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mch CELLOBIOHYDROLASE
CHBI


(Daphnia pulex)
PF00840
(Glyco_hydro_7)
10 ALA A 167
TYR A 169
TYR A 195
ASP A 197
GLN A 199
GLU A 236
ASP A 238
GLU A 241
ARG A 275
ASP A 403
None
None
None
None
GOL  A 501 ( 4.6A)
GOL  A 501 (-3.3A)
GOL  A 501 (-2.9A)
GOL  A 501 (-3.5A)
None
None
0.49A 1dy4A-5mchA:
60.7
1dy4A-5mchA:
51.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mch CELLOBIOHYDROLASE
CHBI


(Daphnia pulex)
PF00840
(Glyco_hydro_7)
5 TYR A 195
ASP A 197
GLN A 199
GLU A 236
ASP A 405
None
None
GOL  A 501 ( 4.6A)
GOL  A 501 (-3.3A)
None
1.19A 1dy4A-5mchA:
60.7
1dy4A-5mchA:
51.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5d GLUCANASE

(Trichoderma
atroviride)
no annotation 12 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 369
BTB  A 604 (-3.5A)
BTB  A 604 (-3.8A)
None
BTB  A 604 (-3.7A)
BTB  A 604 (-3.4A)
BTB  A 604 (-3.8A)
BTB  A 604 (-2.7A)
BTB  A 604 ( 3.4A)
BTB  A 604 ( 3.0A)
None
None
None
0.52A 1dy4A-5o5dA:
68.9
1dy4A-5o5dA:
13.13
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.
5t3b GLYCOSIDE HYDROLASE

(Bacteroides
plebeius)
no annotation 5 ALA A 383
TYR A 341
GLU A 367
ARG A 108
ASP A 421
EDO  A 505 (-3.4A)
EDO  A 505 ( 3.7A)
EDO  A 505 ( 4.9A)
None
None
1.38A 1dy4A-5t3bA:
undetectable
1dy4A-5t3bA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0a GLUCANASE

(Trichoderma
harzianum)
no annotation 8 ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLN A 174
GLU A 196
ASP A 198
GLU A 201
ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 172 ( 0.5A)
GLN  A 174 ( 0.5A)
GLU  A 196 ( 0.6A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
0.36A 1dy4A-5w0aA:
48.5
1dy4A-5w0aA:
11.70
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.
5w0a GLUCANASE

(Trichoderma
harzianum)
no annotation 6 ALA A 144
TYR A 146
TYR A 170
ASP A 198
GLU A 201
ASP A 322
ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
ASP  A 322 ( 0.6A)
0.76A 1dy4A-5w0aA:
48.5
1dy4A-5w0aA:
11.70
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila)
no annotation 9 ALA A 144
SER A 175
GLN A 176
GLU A 213
ASP A 215
GLU A 218
THR A 247
ARG A 252
ASP A 374
None
None
CTR  A 506 (-4.1A)
CTR  A 506 ( 4.5A)
None
CTR  A 506 ( 4.3A)
CTR  A 506 (-2.7A)
CTR  A 506 (-3.0A)
CTR  A 506 ( 3.0A)
0.64A 1dy4A-5w11A:
65.6
1dy4A-5w11A:
14.91
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila)
no annotation 11 ALA A 144
TYR A 146
TYR A 172
ASP A 174
SER A 175
GLN A 176
GLU A 213
ASP A 215
GLU A 218
ARG A 252
ASP A 374
None
None
None
CTR  A 506 ( 4.6A)
None
CTR  A 506 (-4.1A)
CTR  A 506 ( 4.5A)
None
CTR  A 506 ( 4.3A)
CTR  A 506 (-3.0A)
CTR  A 506 ( 3.0A)
0.29A 1dy4A-5w11A:
65.6
1dy4A-5w11A:
14.91
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR


(Homo sapiens)
no annotation 5 ALA A2101
TYR A2102
ASP A2118
GLN A2114
GLU A2105
None
1.15A 1dy4A-5yz0A:
undetectable
1dy4A-5yz0A:
9.68