SIMILAR PATTERNS OF AMINO ACIDS FOR 2VDM_B_AGGB1462

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.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 LEU A 670
SER A 179
TYR A 586
ASN A 483
ALA A 467
 None
ALF  A 999 (-2.7A)
None
None
None
 1.45A 2vdmA-1br2A:
0.0
2vdmB-1br2A:
undetectable		 2vdmA-1br2A:
19.49
2vdmB-1br2A:
21.05
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma) 		5 LEU C3163
SER C3013
ARG C3018
ASN C3017
ALA C3210
 None
 1.38A 2vdmA-1e6yC:
0.0
2vdmB-1e6yC:
undetectable		 2vdmA-1e6yC:
19.91
2vdmB-1e6yC:
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.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 LEU A 227
SER A 550
TYR A 549
SER A 548
TYR A 556
 None
 1.10A 2vdmA-1fvfA:
0.0
2vdmB-1fvfA:
2.4		 2vdmA-1fvfA:
21.59
2vdmB-1fvfA:
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.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		5 LEU A  75
ASP A 157
TYR A 241
ASN A 170
ALA A  69
 None
None
None
CFX  A1300 (-3.5A)
CFX  A1300 (-3.5A)
 1.26A 2vdmA-1i2wA:
undetectable
2vdmB-1i2wA:
undetectable		 2vdmA-1i2wA:
21.48
2vdmB-1i2wA:
21.55
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 LEU S 670
SER S 179
TYR S 586
ASN S 483
ALA S 467
 None
 1.49A 2vdmA-1i84S:
0.0
2vdmB-1i84S:
undetectable		 2vdmA-1i84S:
16.22
2vdmB-1i84S:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 TYR B 365
ASP B 297
TYR B 401
TYR B 154
GLU B 112
 None
ZN  B   2 (-2.3A)
None
None
None
 1.34A 2vdmA-1n94B:
undetectable
2vdmB-1n94B:
undetectable		 2vdmA-1n94B:
21.29
2vdmB-1n94B:
22.33
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.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		8 SER B 121
TYR B 122
SER B 123
TYR B 166
ARG B 214
ASN B 215
ALA B 218
GLU B 220
 MG  B1401 ( 2.1A)
None
MG  B1401 (-2.1A)
None
None
CA  B1403 ( 2.7A)
None
CAC  B1301 (-2.9A)
 0.54A 2vdmA-1tyeB:
0.0
2vdmB-1tyeB:
46.4		 2vdmA-1tyeB:
22.96
2vdmB-1tyeB:
100.00
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		5 LEU A 198
TYR A 233
TYR A 212
ALA A 262
GLU A 263
 None
 1.50A 2vdmA-1ur4A:
0.0
2vdmB-1ur4A:
undetectable		 2vdmA-1ur4A:
23.61
2vdmB-1ur4A:
20.43
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		5 LEU A  31
ASP A  30
TYR A 279
TYR A 161
ALA A 306
 None
 1.30A 2vdmA-1vi1A:
0.0
2vdmB-1vi1A:
2.3		 2vdmA-1vi1A:
21.17
2vdmB-1vi1A:
22.36
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		5 SER A 182
TYR A 181
TYR A 178
ALA A 131
GLU A 230
 None
 1.42A 2vdmA-1xf1A:
0.0
2vdmB-1xf1A:
3.1		 2vdmA-1xf1A:
19.68
2vdmB-1xf1A:
18.23
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		5 LEU A 289
SER A 337
TYR A 321
ARG A 277
ALA A 281
 None
 1.40A 2vdmA-2fv0A:
undetectable
2vdmB-2fv0A:
undetectable		 2vdmA-2fv0A:
23.19
2vdmB-2fv0A:
21.46
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 LEU A 141
TYR A 175
SER A 176
TYR A 228
ALA A 178
 None
 1.44A 2vdmA-2o8rA:
undetectable
2vdmB-2o8rA:
undetectable		 2vdmA-2o8rA:
21.75
2vdmB-2o8rA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2onk MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Archaeoglobus
fulgidus) 		PF00528
(BPD_transp_1) 		5 TYR C  55
LEU C  52
SER C 139
SER C 192
ALA C  58
 None
 1.49A 2vdmA-2onkC:
undetectable
2vdmB-2onkC:
undetectable		 2vdmA-2onkC:
23.31
2vdmB-2onkC:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 PHE A 348
ASP A 342
SER A 450
TYR A 448
ASN A 447
 None
 1.49A 2vdmA-2tohA:
undetectable
2vdmB-2tohA:
undetectable		 2vdmA-2tohA:
21.77
2vdmB-2tohA:
21.59
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 PHE A 837
LEU A 338
TYR A 822
TYR A 868
ALA A 326
 None
GOL  A 904 (-4.7A)
None
None
None
 1.33A 2vdmA-2wyhA:
undetectable
2vdmB-2wyhA:
undetectable		 2vdmA-2wyhA:
19.07
2vdmB-2wyhA:
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 TYR A 232
LEU A 233
ASP A 234
SER A 176
ALA A 226
 None
 1.46A 2vdmA-2xfgA:
undetectable
2vdmB-2xfgA:
undetectable		 2vdmA-2xfgA:
20.86
2vdmB-2xfgA:
20.74
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.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		5 PHE A  43
LEU A  64
SER A 106
ASN A 115
ALA A 108
 None
SO4  A 205 (-4.3A)
None
None
None
 1.36A 2vdmA-3bo7A:
undetectable
2vdmB-3bo7A:
undetectable		 2vdmA-3bo7A:
17.61
2vdmB-3bo7A:
18.95
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 TYR A 101
LEU A  44
SER A  96
ASN A 309
ALA A  49
 None
 1.25A 2vdmA-3ihmA:
undetectable
2vdmB-3ihmA:
undetectable		 2vdmA-3ihmA:
23.09
2vdmB-3ihmA:
21.22
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 LEU A 670
SER A 179
TYR A 586
ASN A 483
ALA A 467
 None
 1.47A 2vdmA-3j04A:
undetectable
2vdmB-3j04A:
undetectable		 2vdmA-3j04A:
18.72
2vdmB-3j04A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 LEU A 278
ASP A 277
TYR A 225
ASN A 223
ALA A 235
 None
 1.33A 2vdmA-3m4aA:
undetectable
2vdmB-3m4aA:
undetectable		 2vdmA-3m4aA:
20.69
2vdmB-3m4aA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 PHE A 686
LEU A 692
SER A 645
ARG A 641
ALA A 741
 None
 1.36A 2vdmA-3m62A:
undetectable
2vdmB-3m62A:
undetectable		 2vdmA-3m62A:
18.93
2vdmB-3m62A:
18.77
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		5 PHE A 181
LEU A 162
SER A 376
ASN A 377
ALA A 276
 None
 1.48A 2vdmA-3pt1A:
undetectable
2vdmB-3pt1A:
undetectable		 2vdmA-3pt1A:
22.65
2vdmB-3pt1A:
22.10
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Rattus
norvegicus) 		PF05028
(PARG_cat) 		5 TYR A 785
LEU A 675
SER A 622
ALA A 627
GLU A 624
 None
 1.31A 2vdmA-3uelA:
0.5
2vdmB-3uelA:
undetectable		 2vdmA-3uelA:
23.70
2vdmB-3uelA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 SER B 142
TYR B 143
SER B 144
ASN B 235
GLU B 240
 MG  B2001 ( 2.9A)
0DU  B4000 (-4.4A)
MG  B2001 ( 2.9A)
CA  B2003 ( 3.1A)
0DU  B4000 (-3.3A)
 0.58A 2vdmA-3v4vB:
undetectable
2vdmB-3v4vB:
33.3		 2vdmA-3v4vB:
23.29
2vdmB-3v4vB:
42.32
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 PHE B 153
TYR B 116
LEU B 246
SER B 123
SER B 121
 None
 1.22A 2vdmA-4cakB:
undetectable
2vdmB-4cakB:
19.4		 2vdmA-4cakB:
21.78
2vdmB-4cakB:
100.00
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		6 SER B 121
TYR B 122
ARG B 214
ASN B 215
ALA B 218
GLU B 220
 None
 0.59A 2vdmA-4cakB:
undetectable
2vdmB-4cakB:
19.4		 2vdmA-4cakB:
21.78
2vdmB-4cakB:
100.00
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 SER B 121
TYR B 122
SER B 123
ARG B 214
ASN B 215
 None
 0.50A 2vdmA-4cakB:
undetectable
2vdmB-4cakB:
19.4		 2vdmA-4cakB:
21.78
2vdmB-4cakB:
100.00
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.
4fc2 POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Mus musculus) 		PF05028
(PARG_cat) 		5 TYR A 782
LEU A 672
SER A 619
ALA A 624
GLU A 621
 None
 1.30A 2vdmA-4fc2A:
1.0
2vdmB-4fc2A:
undetectable		 2vdmA-4fc2A:
23.79
2vdmB-4fc2A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		5 PHE A  85
LEU A  74
ASP A  80
ARG A 123
ALA A  90
 None
 1.38A 2vdmA-4i2wA:
undetectable
2vdmB-4i2wA:
undetectable		 2vdmA-4i2wA:
18.49
2vdmB-4i2wA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 445
TYR A 446
SER A 366
ASN A 324
ALA A 362
 GYP  A 502 (-3.7A)
GYP  A 502 ( 4.9A)
None
None
None
 1.43A 2vdmA-4jreA:
undetectable
2vdmB-4jreA:
undetectable		 2vdmA-4jreA:
24.95
2vdmB-4jreA:
20.65
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 PHE B 146
TYR B 109
LEU B 237
SER B 116
SER B 114
 None
None
None
MG  B 707 ( 2.0A)
MG  B 707 (-2.1A)
 1.26A 2vdmA-4nenB:
undetectable
2vdmB-4nenB:
34.0		 2vdmA-4nenB:
20.87
2vdmB-4nenB:
36.09
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		6 SER B 114
TYR B 115
SER B 116
ASN B 207
ALA B 210
GLU B 212
 MG  B 707 (-2.1A)
None
MG  B 707 ( 2.0A)
CA  B 705 (-2.8A)
None
CA  B 705 ( 3.2A)
 0.27A 2vdmA-4nenB:
undetectable
2vdmB-4nenB:
34.0		 2vdmA-4nenB:
20.87
2vdmB-4nenB:
36.09
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 LEU A 292
SER A 434
SER A 461
ASN A 432
ALA A 551
 None
 1.45A 2vdmA-4tr2A:
undetectable
2vdmB-4tr2A:
4.1		 2vdmA-4tr2A:
22.51
2vdmB-4tr2A:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4um8 INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 PHE B 157
TYR B 120
LEU B 249
SER B 127
SER B 125
 None
None
None
MG  B2001 (-3.7A)
MG  B2001 (-2.1A)
 1.28A 2vdmA-4um8B:
undetectable
2vdmB-4um8B:
34.6		 2vdmA-4um8B:
19.97
2vdmB-4um8B:
43.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wk0 INTEGRIN BETA-1

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 PHE B 164
TYR B 127
LEU B 254
SER B 134
SER B 132
 None
None
None
MG  B 501 (-3.8A)
MG  B 501 (-2.1A)
 1.33A 2vdmA-4wk0B:
undetectable
2vdmB-4wk0B:
34.2		 2vdmA-4wk0B:
20.96
2vdmB-4wk0B:
42.65
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.
4wk0 INTEGRIN BETA-1

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 SER B 132
TYR B 133
SER B 134
ASN B 224
GLU B 229
 MG  B 501 (-2.1A)
None
MG  B 501 (-3.8A)
CA  B 503 (-2.8A)
MG  B 501 ( 3.1A)
 0.77A 2vdmA-4wk0B:
undetectable
2vdmB-4wk0B:
34.2		 2vdmA-4wk0B:
20.96
2vdmB-4wk0B:
42.65
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 364
SER C 366
ARG C 378
ASN C 375
ALA C 151
 None
 1.46A 2vdmA-4z42C:
undetectable
2vdmB-4z42C:
undetectable		 2vdmA-4z42C:
21.49
2vdmB-4z42C:
22.01
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 PHE A   8
ASP A   3
TYR A 196
ASN A  19
ALA A 113
 None
None
None
SAH  A 301 (-3.7A)
SAH  A 301 ( 3.7A)
 1.33A 2vdmA-5bp7A:
undetectable
2vdmB-5bp7A:
undetectable		 2vdmA-5bp7A:
19.35
2vdmB-5bp7A:
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.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 PHE B 146
TYR B 109
LEU B 237
SER B 116
SER B 114
 None
 1.30A 2vdmA-5e6sB:
undetectable
2vdmB-5e6sB:
30.6		 2vdmA-5e6sB:
22.14
2vdmB-5e6sB:
42.18
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 PHE A 155
LEU A  84
SER A 138
ARG A 139
ALA A 116
 None
 1.31A 2vdmA-5g10A:
undetectable
2vdmB-5g10A:
2.2		 2vdmA-5g10A:
21.79
2vdmB-5g10A:
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.
5hgz N-ALPHA-ACETYLTRANSF
ERASE 60

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 PHE A 175
TYR A 177
ASP A  81
ASN A 148
ALA A 146
 None
None
None
None
ACO  A 301 (-3.6A)
 1.25A 2vdmA-5hgzA:
undetectable
2vdmB-5hgzA:
undetectable		 2vdmA-5hgzA:
19.31
2vdmB-5hgzA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5icv N-ALPHA-ACETYLTRANSF
ERASE 60

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 PHE A 175
TYR A 177
ASP A  81
ASN A 148
ALA A 146
 None
 1.27A 2vdmA-5icvA:
undetectable
2vdmB-5icvA:
undetectable		 2vdmA-5icvA:
17.31
2vdmB-5icvA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 5 PHE A 400
SER A 585
TYR A 584
SER A 621
ALA A 520
 None
 1.33A 2vdmA-5mz9A:
7.2
2vdmB-5mz9A:
undetectable		 2vdmA-5mz9A:
undetectable
2vdmB-5mz9A:
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.
5nem INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 PHE B 154
TYR B 117
LEU B 246
SER B 124
SER B 122
 None
 1.24A 2vdmA-5nemB:
undetectable
2vdmB-5nemB:
38.9		 2vdmA-5nemB:
22.35
2vdmB-5nemB:
50.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqz GLUCAN-BINDING
PROTEIN C, GBPC

(Streptococcus
mutans) 		no annotation 5 LEU A 187
SER A 375
TYR A 422
TYR A 168
ALA A 427
 None
 1.48A 2vdmA-5uqzA:
0.2
2vdmB-5uqzA:
undetectable		 2vdmA-5uqzA:
9.73
2vdmB-5uqzA:
10.70
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 PHE A 366
LEU A 314
SER A 351
ARG A 346
GLU A 353
 None
 1.26A 2vdmA-5x5tA:
undetectable
2vdmB-5x5tA:
2.1		 2vdmA-5x5tA:
21.30
2vdmB-5x5tA:
22.12
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3

(Mus musculus) 		no annotation 5 PHE A  62
LEU H 289
SER H 115
TYR H 114
SER H 112
 None
 1.44A 2vdmA-6g72A:
undetectable
2vdmB-6g72A:
undetectable		 2vdmA-6g72A:
10.36
2vdmB-6g72A:
10.55