SIMILAR PATTERNS OF AMINO ACIDS FOR 3VNS_A_DVAA602

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 234
ASP A 235
GLY A 302
THR A 326
LYS A 517
 PHE  A 566 ( 4.5A)
PHE  A 566 (-2.8A)
PHE  A 566 ( 3.6A)
AMP  A 567 ( 3.9A)
AMP  A 567 ( 2.8A)
 0.52A 3vnsA-1amuA:
49.8		 3vnsA-1amuA:
31.10
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A 120
PHE A 119
GLY A 115
THR A  87
 None
 1.14A 3vnsA-1hp1A:
1.3		 3vnsA-1hp1A:
22.52
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.
1izo CYTOCHROME P450
152A1

(Bacillus
subtilis) 		PF00067
(p450) 		4 ASP A 317
PHE A 292
GLY A 290
THR A 321
 None
PAM  A 601 (-4.9A)
PAM  A 601 ( 4.0A)
None
 1.04A 3vnsA-1izoA:
undetectable		 3vnsA-1izoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jzo THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBC

(Escherichia
coli) 		PF10411
(DsbC_N)
PF13098
(Thioredoxin_2) 		4 ASP A  95
PHE A 123
GLY A 127
THR A  97
 None
 1.13A 3vnsA-1jzoA:
undetectable		 3vnsA-1jzoA:
17.37
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.
1lia R-PHYCOERYTHRIN
R-PHYCOERYTHRIN

(Polysiphonia
urceolata;
Polysiphonia
urceolata) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		4 ASP B   3
PHE B   5
GLY A 102
THR A   6
 None
 1.15A 3vnsA-1liaB:
undetectable		 3vnsA-1liaB:
17.58
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 338
ASP A 337
GLY A  18
THR A 341
 None
 1.15A 3vnsA-1ljyA:
0.7		 3vnsA-1ljyA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1on0 YYCN PROTEIN

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		4 ASP A  93
PHE A  94
GLY A  74
THR A  20
 None
 0.98A 3vnsA-1on0A:
undetectable		 3vnsA-1on0A:
14.81
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 ASP A 492
PHE A 493
THR A 546
PHE A 553
 None
 1.15A 3vnsA-1pemA:
undetectable		 3vnsA-1pemA:
21.88
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.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		4 ASP A 278
GLY A 212
THR A 169
LYS A 258
 CA  A 700 (-3.1A)
None
None
CA  A 700 ( 4.7A)
 1.03A 3vnsA-1rrcA:
3.2		 3vnsA-1rrcA:
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ASP A  94
PHE A  98
GLY A 136
THR A  16
 UMA  A 963 ( 4.9A)
None
None
UMA  A 963 (-3.6A)
 1.04A 3vnsA-1uagA:
4.3		 3vnsA-1uagA:
23.94
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.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A  94
GLY A  42
THR A  70
PHE A  74
 SO4  A1433 (-3.0A)
SO4  A1433 (-3.5A)
None
GOL  A1437 (-3.9A)
 0.97A 3vnsA-1uypA:
undetectable		 3vnsA-1uypA:
20.77
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		4 PHE A  33
GLY A   8
THR A  16
PHE A  25
 None
 1.12A 3vnsA-1vhnA:
undetectable		 3vnsA-1vhnA:
21.17
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.
1xxr MANNOSE-BINDING
LECTIN

(Morus nigra) 		PF01419
(Jacalin) 		4 ASP A  32
PHE A 144
GLY A 156
PHE A  52
 None
 1.01A 3vnsA-1xxrA:
undetectable		 3vnsA-1xxrA:
16.63
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		4 ASP A 580
PHE A 640
GLY A 623
PHE A 553
 GOL  A1696 (-3.7A)
None
None
None
 1.09A 3vnsA-2bf6A:
undetectable		 3vnsA-2bf6A:
21.99
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 PHE A 221
GLY A   8
THR A 226
LYS A  16
 None
 1.09A 3vnsA-2d7uA:
undetectable		 3vnsA-2d7uA:
22.06
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.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus) 		PF00915
(Calici_coat) 		4 ASP A 409
PHE A 408
GLY A 667
THR A 411
 None
 1.01A 3vnsA-2gh8A:
undetectable		 3vnsA-2gh8A:
22.82
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.
2q88 PUTATIVE ABC
TRANSPORTER AMINO
ACID-BINDING PROTEIN

(Sinorhizobium
meliloti) 		PF00497
(SBP_bac_3) 		4 ASP A 218
PHE A 217
GLY A 203
PHE A 206
 None
 1.07A 3vnsA-2q88A:
3.2		 3vnsA-2q88A:
19.93
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.70A 3vnsA-2v7bA:
43.9		 3vnsA-2v7bA:
28.55
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 PHE A 331
PHE A 329
GLY A 280
THR A 610
 None
 0.91A 3vnsA-2vobA:
3.4		 3vnsA-2vobA:
23.49
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 192
PHE A 188
GLY A 168
PHE A 171
 None
 0.85A 3vnsA-2xvnA:
undetectable		 3vnsA-2xvnA:
21.95
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.
2ypq PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE AROG

(Mycobacterium
tuberculosis) 		PF01474
(DAHP_synth_2) 		4 PHE A 394
PHE A 395
GLY A 407
THR A 403
 None
 1.11A 3vnsA-2ypqA:
undetectable		 3vnsA-2ypqA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-2

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ASP X 381
GLY X 363
THR X 373
PHE X 383
 None
 1.17A 3vnsA-2zkmX:
3.1		 3vnsA-2zkmX:
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.
2zs0 EXTRACELLULAR GIANT
HEMOGLOBIN MAJOR
GLOBIN SUBUNIT B1

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		4 PHE D  40
ASP D  37
PHE D  36
GLY D  54
 None
None
OXY  D 201 (-4.5A)
None
 0.94A 3vnsA-2zs0D:
undetectable		 3vnsA-2zs0D:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		4 PHE A 382
PHE A 378
THR A 410
PHE A 416
 None
 0.99A 3vnsA-3ahrA:
undetectable		 3vnsA-3ahrA:
23.73
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 PHE A 466
ASP A 468
GLY A 432
PHE A 301
 None
 1.00A 3vnsA-3bolA:
undetectable		 3vnsA-3bolA:
23.95
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.
3d6t LEUCINE-RICH REPEAT
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		PF08477
(Roc) 		4 ASP B1394
PHE B1395
GLY B1397
THR B1348
 None
 1.16A 3vnsA-3d6tB:
undetectable		 3vnsA-3d6tB:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 196
ASP A 197
GLY A 270
THR A 297
LYS A 492
 DAL  A 701 (-4.7A)
DAL  A 701 ( 2.7A)
DAL  A 701 ( 3.1A)
AMP  A 711 (-3.9A)
DAL  A 701 ( 3.2A)
 0.85A 3vnsA-3dhvA:
45.5		 3vnsA-3dhvA:
31.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 196
GLY A 269
THR A 296
LYS A 402
 AMP  A 513 ( 4.4A)
AMP  A 513 (-3.5A)
AMP  A 513 (-4.0A)
AMP  A 513 (-2.6A)
 1.09A 3vnsA-3e7wA:
46.2		 3vnsA-3e7wA:
31.29
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4299
PHE A4296
THR A4340
PHE A4323
 None
None
NA  A5001 (-4.9A)
None
 1.13A 3vnsA-3g1nA:
undetectable		 3vnsA-3g1nA:
23.17
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA
BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni;
Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 ASP B  82
PHE B  80
GLY A 379
THR B  86
 None
 1.12A 3vnsA-3gzyB:
undetectable		 3vnsA-3gzyB:
16.15
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA
BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni;
Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 ASP B  82
PHE B  80
GLY A 380
THR B  86
 None
 0.84A 3vnsA-3gzyB:
undetectable		 3vnsA-3gzyB:
16.15
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.
3hbd CLASS IV CHITINASE
CHIA4-PA2

(Picea abies) 		PF00182
(Glyco_hydro_19) 		4 PHE A 184
PHE A  80
THR A 186
PHE A  90
 None
 1.11A 3vnsA-3hbdA:
undetectable		 3vnsA-3hbdA:
15.56
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.
3hnp OXIDOREDUCTASE

(Bacillus cereus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 210
ASP A 207
PHE A 172
GLY A 176
 None
 1.15A 3vnsA-3hnpA:
3.8		 3vnsA-3hnpA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A 115
PHE A 114
GLY A 110
THR A  82
 CTN  A 603 ( 4.1A)
None
None
None
 1.13A 3vnsA-3iveA:
undetectable		 3vnsA-3iveA:
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 PHE A  29
GLY A  57
THR A  25
PHE A  15
 None
 1.03A 3vnsA-3k30A:
3.5		 3vnsA-3k30A:
24.59
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.
3kxq TRIOSEPHOSPHATE
ISOMERASE

(Bartonella
henselae) 		PF00121
(TIM) 		4 ASP A 249
GLY A  31
THR A 246
PHE A  40
 None
 1.16A 3vnsA-3kxqA:
2.4		 3vnsA-3kxqA:
22.49
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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 194
ASP A 195
GLY A 268
THR A 295
LYS A 495
 ATP  A 600 ( 4.9A)
None
ATP  A 600 (-3.4A)
ATP  A 600 (-3.6A)
ATP  A 600 (-2.9A)
 0.65A 3vnsA-3lgxA:
49.6		 3vnsA-3lgxA:
29.53
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.
3mjd OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		PF00156
(Pribosyltran) 		4 PHE A  14
GLY A  15
THR A 194
PHE A 199
 None
 1.11A 3vnsA-3mjdA:
2.4		 3vnsA-3mjdA:
17.98
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		4 PHE A 434
GLY A 437
THR A 385
PHE A 390
 None
 1.16A 3vnsA-3orgA:
undetectable		 3vnsA-3orgA:
25.34
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.
3owt DNA-BINDING PROTEIN
RAP1
REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF11626
(Rap1_C)
no annotation 		4 ASP C 464
GLY A 760
THR C 467
PHE A 821
 None
 1.00A 3vnsA-3owtC:
undetectable		 3vnsA-3owtC:
3.79
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, ALPHA
SUBUNIT

(Escherichia
coli) 		PF01409
(tRNA-synt_2d)
PF02912
(Phe_tRNA-synt_N) 		4 PHE A 220
GLY A 273
THR A 226
PHE A 243
 None
 1.03A 3vnsA-3pcoA:
undetectable		 3vnsA-3pcoA:
21.88
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 PHE A 180
PHE A 183
GLY A 170
THR A 177
 None
 1.07A 3vnsA-3pgyA:
undetectable		 3vnsA-3pgyA:
23.65
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ASP A 485
PHE A 195
GLY A 193
THR A 489
 None
None
FAD  A 499 (-3.7A)
None
 0.98A 3vnsA-3popA:
undetectable		 3vnsA-3popA:
24.09
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 ASP A 273
GLY A 150
THR A 117
LYS A 248
 CA  A   4 (-2.5A)
CA  A   4 ( 4.7A)
None
None
 1.12A 3vnsA-3s6jA:
2.3		 3vnsA-3s6jA:
19.12
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.
3uh8 ORF48

(Lactococcus
phage TP901-1) 		PF10651
(DUF2479) 		4 PHE A 100
PHE A  98
THR A  10
PHE A 117
 None
 0.99A 3vnsA-3uh8A:
undetectable		 3vnsA-3uh8A:
12.66
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.
3uyu ANTIFREEZE PROTEIN

(Leucosporidium
sp. AY30) 		PF11999
(DUF3494) 		4 PHE A 191
GLY A 207
THR A 161
PHE A 154
 None
 0.98A 3vnsA-3uyuA:
undetectable		 3vnsA-3uyuA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v44 TOLL-LIKE RECEPTOR
5B AND VARIABLE
LYMPHOCYTE RECEPTOR
B.61 CHIMERIC
PROTEIN

(Eptatretus
burgeri;
Danio rerio) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 PHE A 166
PHE A 167
THR A 146
PHE A 173
 None
 1.11A 3vnsA-3v44A:
undetectable		 3vnsA-3v44A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 207
ASP A 208
GLY A 280
THR A 310
 DVA  A 602 (-4.1A)
DVA  A 602 (-2.8A)
DVA  A 602 ( 4.1A)
AMP  A 601 (-3.9A)
 0.83A 3vnsA-3vnsA:
74.1		 3vnsA-3vnsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		7 PHE A 207
ASP A 208
PHE A 209
GLY A 281
THR A 310
PHE A 315
LYS A 507
 DVA  A 602 (-4.1A)
DVA  A 602 (-2.8A)
DVA  A 602 ( 4.2A)
AMP  A 601 ( 3.4A)
AMP  A 601 (-3.9A)
DVA  A 602 (-3.7A)
DVA  A 602 ( 2.7A)
 0.00A 3vnsA-3vnsA:
74.1		 3vnsA-3vnsA:
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		4 PHE A 113
ASP A 112
PHE A 116
GLY A 274
 None
 1.15A 3vnsA-3vpzA:
undetectable		 3vnsA-3vpzA:
21.64
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.
4ack TSSL

(Francisella
tularensis) 		PF09850
(DotU) 		4 PHE A 132
GLY A 100
THR A 107
PHE A  63
 None
EDO  A1157 ( 3.8A)
None
None
 1.08A 3vnsA-4ackA:
undetectable		 3vnsA-4ackA:
15.56
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.
4akd MANNOSE-SPECIFIC
LECTIN KM+

(Artocarpus
integer) 		PF01419
(Jacalin) 		4 ASP A  21
PHE A 133
GLY A 145
PHE A  41
 None
 0.96A 3vnsA-4akdA:
undetectable		 3vnsA-4akdA:
14.95
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 ASP A  82
PHE A  85
GLY A 132
PHE A  75
 None
None
CA  A1329 (-3.9A)
None
 1.06A 3vnsA-4axnA:
undetectable		 3vnsA-4axnA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 200
GLY A 274
THR A 302
LYS A 415
 MG  A1492 (-2.8A)
ANP  A1489 ( 3.3A)
ANP  A1489 ( 3.6A)
ANP  A1489 ( 2.3A)
 0.70A 3vnsA-4d4gA:
50.5		 3vnsA-4d4gA:
33.05
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 ASP A 214
GLY A 283
THR A 310
PHE A 315
LYS A 421
 AMP  A 701 ( 4.3A)
BU3  A 702 ( 3.1A)
AMP  A 701 (-3.8A)
None
AMP  A 701 ( 3.0A)
 0.92A 3vnsA-4dg8A:
45.8		 3vnsA-4dg8A:
27.87
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.
4dm4 CELL DIVISION
CONTROL PROTEIN 73

(Saccharomyces
cerevisiae) 		PF05179
(CDC73_C) 		4 PHE A  82
GLY A 107
THR A  84
PHE A 110
 None
 1.17A 3vnsA-4dm4A:
undetectable		 3vnsA-4dm4A:
13.36
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ASP A  58
GLY A  44
THR A 212
PHE A  49
 None
FDA  A 502 (-3.2A)
None
None
 1.15A 3vnsA-4dshA:
undetectable		 3vnsA-4dshA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i9y E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A  48
GLY A  64
THR A 157
PHE A   8
 None
 0.89A 3vnsA-4i9yA:
undetectable		 3vnsA-4i9yA:
14.42
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.
4ilf THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBC

(Salmonella
enterica) 		PF10411
(DsbC_N)
PF13098
(Thioredoxin_2) 		4 ASP A  95
PHE A 123
GLY A 127
THR A  97
 None
 1.15A 3vnsA-4ilfA:
undetectable		 3vnsA-4ilfA:
20.25
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		4 PHE A 278
PHE A 268
GLY A 250
PHE A 286
 None
 1.13A 3vnsA-4itaA:
3.5		 3vnsA-4itaA:
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.
4jcj INSULIN GENE
ENHANCER PROTEIN
ISL-1,LIM
DOMAIN-BINDING
PROTEIN 1

(Mus musculus) 		PF00412
(LIM) 		4 ASP A 118
PHE A 120
GLY A 305
PHE A 105
 None
 1.08A 3vnsA-4jcjA:
undetectable		 3vnsA-4jcjA:
14.50
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		4 ASP A  21
GLY A 222
THR A 289
PHE A 250
 None
 1.12A 3vnsA-4k91A:
undetectable		 3vnsA-4k91A:
22.44
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.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3
GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens;
Homo sapiens) 		PF00211
(Guanylate_cyc)
PF00211
(Guanylate_cyc) 		4 PHE B 543
GLY A 529
THR B 546
PHE A 490
 EDO  A 702 ( 4.3A)
EDO  B 701 ( 3.2A)
None
EDO  A 702 ( 3.0A)
 0.95A 3vnsA-4ni2B:
undetectable		 3vnsA-4ni2B:
16.03
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.
4npb PROTEIN DISULFIDE
ISOMERASE II

(Yersinia pestis) 		PF10411
(DsbC_N)
PF13098
(Thioredoxin_2) 		4 ASP A 116
PHE A 144
GLY A 148
THR A 118
 None
 1.14A 3vnsA-4npbA:
undetectable		 3vnsA-4npbA:
18.37
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.
4nuh ICE-BINDING PROTEIN

(Leucosporidium) 		PF11999
(DUF3494) 		4 PHE A 165
GLY A 181
THR A 135
PHE A 128
 None
 0.99A 3vnsA-4nuhA:
undetectable		 3vnsA-4nuhA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 PHE A 246
ASP A 247
GLY A 317
THR A 343
LYS A 452
 GAP  A 601 (-4.5A)
GAP  A 601 (-2.8A)
GAP  A 601 (-3.2A)
GAP  A 601 (-4.0A)
GAP  A 601 (-2.8A)
 0.64A 3vnsA-4oxiA:
43.1		 3vnsA-4oxiA:
30.43
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.
4psd CARBOHYDRATE
ESTERASE FAMILY 5

(Trichoderma
reesei) 		PF01083
(Cutinase) 		4 PHE A 105
PHE A 104
GLY A 161
PHE A 191
 None
 1.14A 3vnsA-4psdA:
4.2		 3vnsA-4psdA:
18.07
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.
4r7a HISTONE-BINDING
PROTEIN RBBP4

(Homo sapiens) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		4 ASP B 199
GLY B 180
THR B 201
LYS B 143
 None
 1.16A 3vnsA-4r7aB:
undetectable		 3vnsA-4r7aB:
20.63
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.
4u66 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Alkaliphilus
oremlandii) 		PF01625
(PMSR) 		4 ASP A  21
PHE A  17
GLY A  36
THR A  33
 None
 1.12A 3vnsA-4u66A:
2.7		 3vnsA-4u66A:
17.98
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 PHE A 318
PHE A 317
GLY A 298
THR A 306
 None
 1.12A 3vnsA-4v2xA:
undetectable		 3vnsA-4v2xA:
25.95
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 220
PHE A 222
THR A 320
LYS A 506
 3UK  A 601 (-4.3A)
3UK  A 601 (-4.4A)
3UK  A 601 (-3.6A)
3UK  A 601 (-2.5A)
 0.72A 3vnsA-4wv3A:
45.1		 3vnsA-4wv3A:
26.00
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.
4xru PNKP1

(Capnocytophaga
gingivalis) 		PF13671
(AAA_33) 		4 ASP A 288
GLY A 230
THR A 187
LYS A 268
 MG  A 401 (-2.2A)
None
None
None
 1.16A 3vnsA-4xruA:
3.0		 3vnsA-4xruA:
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.
4zn0 THIOREDOXIN
REDUCTASE

(Methanosarcina
mazei) 		PF07992
(Pyr_redox_2) 		4 PHE A 141
ASP A 137
PHE A 140
GLY A 129
 None
 1.11A 3vnsA-4zn0A:
2.3		 3vnsA-4zn0A:
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 PHE A 669
ASP A 670
GLY A 738
THR A 764
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 4.1A)
MG  A1406 ( 3.9A)
 1.02A 3vnsA-4zxiA:
46.1		 3vnsA-4zxiA:
17.57
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A 669
ASP A 670
GLY A 739
THR A 764
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 3.3A)
MG  A1406 ( 3.9A)
GLY  A1402 ( 3.1A)
 0.56A 3vnsA-4zxiA:
46.1		 3vnsA-4zxiA:
17.57
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.
5bq3 RHAMNOSE ABC
TRANSPORTER,
RHAMNOSE-BINDING
PROTEIN

(Actinomyces
odontolyticus) 		PF13407
(Peripla_BP_4) 		4 PHE A  61
PHE A 352
THR A 244
PHE A 342
 None
 0.98A 3vnsA-5bq3A:
3.7		 3vnsA-5bq3A:
21.45
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.
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		4 ASP A 230
GLY A  66
THR A  29
LYS A 188
 MG  A 401 (-2.6A)
TRE  A 403 ( 3.4A)
None
BEF  A 402 (-2.7A)
 1.07A 3vnsA-5dxiA:
undetectable		 3vnsA-5dxiA:
20.59
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 PHE A 293
PHE A 292
GLY A 273
THR A 281
 None
 1.16A 3vnsA-5e0cA:
undetectable		 3vnsA-5e0cA:
21.04
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		4 PHE A  72
GLY A  84
THR A  75
PHE A 252
 None
 1.02A 3vnsA-5gv1A:
undetectable		 3vnsA-5gv1A:
24.00
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 PHE A 742
GLY A 738
THR A 311
PHE A 315
 BGC  A1003 (-4.2A)
None
None
BGC  A1003 (-4.4A)
 1.09A 3vnsA-5gw7A:
undetectable		 3vnsA-5gw7A:
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.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		4 PHE A  72
GLY A  84
THR A  75
PHE A 252
 None
 1.03A 3vnsA-5gygA:
undetectable		 3vnsA-5gygA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		4 ASP A 137
GLY A 166
THR A 141
PHE A 176
 None
 1.16A 3vnsA-5h6bA:
3.0		 3vnsA-5h6bA:
21.77
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 648
GLY A 723
THR A 749
LYS A 861
 75C  A1301 (-3.3A)
75C  A1301 (-3.4A)
75C  A1301 (-4.5A)
75C  A1301 ( 2.8A)
 0.81A 3vnsA-5ja1A:
49.1		 3vnsA-5ja1A:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		4 ASP A 216
PHE A 217
GLY A 289
THR A 316
 None
 0.84A 3vnsA-5jjpA:
44.5		 3vnsA-5jjpA:
31.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 216
GLY A 290
THR A 317
LYS A 429
 6L1  A 601 (-3.5A)
6L1  A 601 (-3.3A)
6L1  A 601 (-3.5A)
6L1  A 601 (-2.7A)
 0.93A 3vnsA-5jjqA:
37.9		 3vnsA-5jjqA:
37.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 216
PHE A 217
GLY A 290
THR A 317
 6L1  A 601 (-3.5A)
6L1  A 601 ( 4.7A)
6L1  A 601 (-3.3A)
6L1  A 601 (-3.5A)
 0.74A 3vnsA-5jjqA:
37.9		 3vnsA-5jjqA:
37.13
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ASP D 199
PHE D 195
GLY D 449
PHE D 259
 LBV  D 601 (-4.3A)
LBV  D 601 (-3.6A)
None
None
 1.09A 3vnsA-5llyD:
undetectable		 3vnsA-5llyD:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsk PROTEIN MIS12
HOMOLOG
POLYAMINE-MODULATED
FACTOR 1

(Homo sapiens;
Homo sapiens) 		PF05859
(Mis12)
PF03980
(Nnf1) 		4 PHE A  67
PHE A  70
GLY B  53
THR B  59
 None
 1.15A 3vnsA-5lskA:
undetectable		 3vnsA-5lskA:
16.64
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 ASP A 138
PHE A 131
GLY A  82
PHE A 164
 None
 1.02A 3vnsA-5m41A:
undetectable		 3vnsA-5m41A:
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 ASP A 373
PHE A 415
GLY A 358
THR A 375
 None
 1.06A 3vnsA-5n2gA:
undetectable		 3vnsA-5n2gA:
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 4 PHE A 232
ASP A 233
GLY A 300
THR A 324
 8Q2  A 501 (-4.6A)
8Q2  A 501 (-2.7A)
8Q2  A 501 (-3.2A)
8Q2  A 501 (-3.7A)
 0.26A 3vnsA-5n81A:
50.2		 3vnsA-5n81A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 211
ASP A 212
GLY A 284
THR A 314
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
THR  A 601 ( 4.1A)
ATP  A 602 (-3.7A)
 0.71A 3vnsA-5n9xA:
59.3		 3vnsA-5n9xA:
56.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 PHE A 211
ASP A 212
PHE A 213
GLY A 285
THR A 314
LYS A 515
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
THR  A 601 (-3.5A)
ATP  A 602 ( 3.3A)
ATP  A 602 (-3.7A)
THR  A 601 ( 2.5A)
 0.48A 3vnsA-5n9xA:
59.3		 3vnsA-5n9xA:
56.47
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.
5uj0 POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		no annotation 4 ASP A 278
GLY A 212
THR A 169
LYS A 258
 MG  A 401 (-2.7A)
BFD  A 165 ( 3.7A)
BFD  A 165 ( 3.6A)
BFD  A 165 ( 2.8A)
 1.06A 3vnsA-5uj0A:
3.6		 3vnsA-5uj0A:
13.54
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 ASP A 213
GLY A 282
THR A 309
PHE A 314
LYS A 419
 B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-3.8A)
B6G  A1001 ( 4.7A)
B6G  A1001 (-3.0A)
 1.03A 3vnsA-5wmmA:
47.2		 3vnsA-5wmmA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 PHE A 212
ASP A 213
GLY A 282
THR A 309
PHE A 314
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-3.8A)
B6G  A1001 ( 4.7A)
 0.52A 3vnsA-5wmmA:
47.2		 3vnsA-5wmmA:
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.
6az1 RIBOSOMAL PROTEIN S2

(Leishmania
donovani) 		no annotation 4 ASP B 133
GLY B 103
THR B 132
PHE B 106
 None
 1.12A 3vnsA-6az1B:
undetectable		 3vnsA-6az1B:
19.12
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Danio rerio) 		no annotation 4 PHE A 166
PHE A 167
THR A 146
PHE A 173
 None
 1.13A 3vnsA-6bxaA:
undetectable		 3vnsA-6bxaA:
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.
6eoj PROTEIN CFT1
MRNA
3'-END-PROCESSING
PROTEIN YTH1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 ASP B  30
GLY A1095
PHE A1152
LYS A1032
 None
 1.15A 3vnsA-6eojB:
undetectable		 3vnsA-6eojB:
16.79
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.
6fyh E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE A 310
PHE A 307
THR A 351
PHE A 334
 None
 1.00A 3vnsA-6fyhA:
undetectable		 3vnsA-6fyhA:
undetectable