SIMILAR PATTERNS OF AMINO ACIDS FOR 4R88_E_1LDE501

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 HIS B  61
HIS B  12
GLU B  86
ASP B 126
SER B  63
 FE  B 501 ( 3.3A)
FE  B 501 ( 3.3A)
None
None
None
 1.39A 4r88E-1bouB:
undetectable		 4r88E-1bouB:
22.25
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.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 LEU A  73
PHE A 273
ILE A  91
GLU A 153
LEU A  74
 None
 0.98A 4r88E-1h0nA:
undetectable		 4r88E-1h0nA:
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
LEU A  55
HIS A 211
GLU A 214
ASP A 292
 PRH  A 401 ( 3.0A)
None
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 ( 2.5A)
 0.52A 4r88E-1krmA:
22.2		 4r88E-1krmA:
22.94
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  57
HIS A 200
GLU A 203
LEU A 257
ASP A 279
 NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
None
None
NI  A9001 (-2.6A)
 0.62A 4r88E-1p1mA:
34.9		 4r88E-1p1mA:
22.81
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.
1sjq POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 5 HIS A  20
LEU A  47
ILE A  26
LEU A  94
SER A  89
 None
 1.46A 4r88E-1sjqA:
undetectable		 4r88E-1sjqA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
LEU A  58
HIS A 214
GLU A 217
ASP A 295
 HPR  A 353 ( 3.1A)
None
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
 0.39A 4r88E-1uioA:
22.9		 4r88E-1uioA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ypx PUTATIVE VITAMIN-B12
INDEPENDENT
METHIONINE SYNTHASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF01717
(Meth_synt_2) 		5 LEU A 264
ILE A 225
LEU A 260
ASP A 188
SER A 190
 None
 1.33A 4r88E-1ypxA:
2.1		 4r88E-1ypxA:
24.31
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.34A 4r88E-2amxA:
21.7		 4r88E-2amxA:
20.87
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 HIS A  97
ILE A 403
HIS A 404
GLU A 216
LEU A 190
 ZN  A 602 (-3.3A)
None
ZN  A 602 (-3.5A)
None
None
 1.31A 4r88E-2az4A:
undetectable		 4r88E-2az4A:
22.43
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.
2ctm VIGILIN

(Homo sapiens) 		PF00013
(KH_1) 		5 HIS A  28
PHE A  52
ILE A  50
GLU A  83
LEU A  80
 None
 1.43A 4r88E-2ctmA:
undetectable		 4r88E-2ctmA:
14.44
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  75
LEU A  90
HIS A 229
GLU A 232
LEU A 298
ASP A 320
 FE  A 501 ( 3.6A)
GUN  A 503 (-4.9A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
None
FE  A 501 ( 2.7A)
 0.51A 4r88E-2i9uA:
31.1		 4r88E-2i9uA:
23.74
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
HIS A 238
GLU A 241
LEU A 330
ASP A 352
SER A 353
 ZN  A 500 (-3.2A)
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
None
 0.65A 4r88E-2imrA:
23.5		 4r88E-2imrA:
22.77
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 HIS A  99
LEU A 110
HIS A 238
ASP A 352
SER A 353
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
ZN  A 500 (-3.9A)
None
 0.84A 4r88E-2imrA:
23.5		 4r88E-2imrA:
22.77
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		6 HIS A  81
LEU A  95
HIS A 234
GLU A 237
LEU A 302
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 (-3.1A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
None
GUN  A 600 ( 2.5A)
 0.49A 4r88E-2oodA:
27.9		 4r88E-2oodA:
24.46
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 HIS A 435
LEU A 426
PHE A 386
ILE A  45
LEU A 407
 None
 1.49A 4r88E-2qgmA:
undetectable		 4r88E-2qgmA:
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.
2qsj DNA-BINDING RESPONSE
REGULATOR, LUXR
FAMILY

(Ruegeria
pomeroyi) 		PF00072
(Response_reg) 		5 HIS A 114
LEU A  20
GLN A 110
LEU A  21
SER A 117
 None
 1.42A 4r88E-2qsjA:
undetectable		 4r88E-2qsjA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 305
ILE A 271
HIS A  17
GLU A  19
LEU A 331
 None
 1.39A 4r88E-2r3vA:
undetectable		 4r88E-2r3vA:
23.09
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 LEU A 291
ILE A 363
LEU A 287
ASP A 276
SER A 278
 None
 1.38A 4r88E-2rjqA:
undetectable		 4r88E-2rjqA:
22.72
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 HIS A 156
PHE A 227
HIS A 220
GLU A 338
GLU A  85
 GOL  A1420 ( 4.1A)
None
None
None
None
 1.20A 4r88E-2vx4A:
6.3		 4r88E-2vx4A:
22.77
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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A 563
HIS A 564
GLU A 509
GLU A  39
LEU A 567
 None
 1.37A 4r88E-2x0qA:
undetectable		 4r88E-2x0qA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.48A 4r88E-3aw9A:
undetectable		 4r88E-3aw9A:
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.
3bdw NKG2-A/NKG2-B TYPE
II INTEGRAL MEMBRANE
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 LEU B 211
PHE B 194
HIS B 196
GLU B 162
LEU B 166
 None
 1.10A 4r88E-3bdwB:
undetectable		 4r88E-3bdwB:
14.72
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  84
HIS A 238
GLU A 241
LEU A 306
ASP A 328
 ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.49A 4r88E-3e0lA:
30.8		 4r88E-3e0lA:
23.56
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		6 HIS A  44
LEU A  85
HIS A 225
GLU A 228
LEU A 283
ASP A 309
 MCF  A 372 ( 3.3A)
MCF  A 372 (-4.7A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
None
MCF  A 372 ( 2.4A)
 0.45A 4r88E-3ewdA:
22.8		 4r88E-3ewdA:
23.42
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
LEU A  85
HIS A 225
LEU A 283
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-4.7A)
ZN  A 371 ( 3.4A)
None
MCF  A 372 (-2.9A)
 1.41A 4r88E-3ewdA:
22.8		 4r88E-3ewdA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		10 HIS A  63
LEU A  81
PHE A 154
GLN A 156
ILE A 183
HIS A 214
GLU A 217
LEU A 282
ASP A 313
TRP A 319
 FE  A 502 (-3.1A)
None
None
None
None
FE  A 502 (-3.6A)
None
None
FE  A 502 (-3.2A)
None
 0.33A 4r88E-3g77A:
67.5		 4r88E-3g77A:
54.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  95
LEU A 112
HIS A 259
LEU A 325
ASP A 347
 ZN  A 480 (-3.3A)
None
ZN  A 480 (-3.5A)
None
ZN  A 480 (-3.2A)
 0.70A 4r88E-3hpaA:
34.0		 4r88E-3hpaA:
25.83
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.31A 4r88E-3io1A:
undetectable		 4r88E-3io1A:
22.62
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.37A 4r88E-3lggA:
21.1		 4r88E-3lggA:
22.57
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  56
LEU A 298
HIS A 232
GLU A 235
GLU A 295
 ZN  A 454 (-3.3A)
NGQ  A 455 (-4.7A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
 1.29A 4r88E-3mduA:
29.2		 4r88E-3mduA:
27.40
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A 232
GLU A 235
LEU A 298
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
NGQ  A 455 (-4.7A)
ZN  A 454 (-2.9A)
 0.56A 4r88E-3mduA:
29.2		 4r88E-3mduA:
27.40
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A 232
GLU A 235
LEU A 298
ASP A 320
SER A 321
 ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
NGQ  A 455 (-4.7A)
ZN  A 454 (-2.9A)
None
 1.05A 4r88E-3mduA:
29.2		 4r88E-3mduA:
27.40
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 242
ILE A 300
GLU A 151
LEU A 246
SER A 276
 None
 1.23A 4r88E-3mn3A:
undetectable		 4r88E-3mn3A:
20.42
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 HIS A 647
LEU A 348
GLN A 567
ILE A 643
GLU A 688
 None
 1.35A 4r88E-3ob8A:
6.2		 4r88E-3ob8A:
16.78
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.
3oun PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		5 LEU A  61
ILE A 106
GLU A  62
LEU A  75
SER A  38
 None
 1.49A 4r88E-3ounA:
undetectable		 4r88E-3ounA:
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		6 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.34A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.48A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
PHE A  98
HIS A  16
LEU A  56
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 (-3.4A)
ADE  A 328 (-4.6A)
ADE  A 328 (-2.8A)
 1.48A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 LEU A 342
PHE A 370
ILE A 428
GLU A 426
SER A 378
 None
 1.02A 4r88E-3qkiA:
undetectable		 4r88E-3qkiA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.39A 4r88E-3rysA:
23.9		 4r88E-3rysA:
24.04
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.44A 4r88E-3rysA:
23.9		 4r88E-3rysA:
24.04
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.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 208
ILE A 272
GLU A 115
LEU A 212
SER A 248
 None
 1.16A 4r88E-3uc3A:
undetectable		 4r88E-3uc3A:
21.13
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 207
ILE A 271
GLU A 114
LEU A 211
SER A 247
 None
 1.23A 4r88E-3udbA:
undetectable		 4r88E-3udbA:
22.09
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 207
ILE A 271
GLU A 114
LEU A 211
SER A 247
 None
 1.24A 4r88E-3ujgA:
undetectable		 4r88E-3ujgA:
19.87
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
GLU A 209
LEU A 286
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.32A 4r88E-3v7pA:
33.3		 4r88E-3v7pA:
26.56
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
GLU A 209
LEU A 286
SER A 309
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
UNL  A 437 ( 3.1A)
 1.16A 4r88E-3v7pA:
33.3		 4r88E-3v7pA:
26.56
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  74
HIS A 221
GLU A 224
LEU A 287
ASP A 309
 ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.50A 4r88E-4dykA:
34.5		 4r88E-4dykA:
25.88
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A  80
HIS A 227
GLU A 230
LEU A 293
ASP A 315
 ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
None
ZN  A 505 ( 2.0A)
 0.54A 4r88E-4dzhA:
33.5		 4r88E-4dzhA:
25.89
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
GLU A 240
LEU A 303
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.50A 4r88E-4f0lA:
30.3		 4r88E-4f0lA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		6 HIS A  72
LEU A  87
HIS A 219
GLU A 222
LEU A 285
ASP A 307
 NOS  A 501 (-3.7A)
NOS  A 501 (-4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
None
NOS  A 501 (-2.8A)
 0.61A 4r88E-4f0sA:
34.8		 4r88E-4f0sA:
25.45
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.
4h5u PROBABLE HYDROLASE
NIT2

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 HIS A  93
LEU A 130
ILE A 168
GLU A 143
SER A  57
 None
None
CAF  A 169 ( 3.9A)
CAF  A 169 ( 4.8A)
None
 1.36A 4r88E-4h5uA:
2.7		 4r88E-4h5uA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iwm UPF0135 PROTEIN
MJ0927

(Methanocaldococcus
jannaschii) 		PF01784
(NIF3) 		5 HIS A 103
LEU A  49
GLU A 225
LEU A 229
ASP A 107
 None
 1.12A 4r88E-4iwmA:
undetectable		 4r88E-4iwmA:
20.32
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 425
PHE A 409
ILE A 380
GLU A 449
LEU A 447
 None
 1.40A 4r88E-4kt1A:
undetectable		 4r88E-4kt1A:
23.87
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		5 HIS A  31
PHE A  22
LEU A 202
ASP A  73
SER A  53
 None
 1.45A 4r88E-4psuA:
3.0		 4r88E-4psuA:
22.05
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 HIS A 823
LEU A 515
PHE A 492
ILE A 493
LEU A 519
 None
 1.46A 4r88E-4ptfA:
undetectable		 4r88E-4ptfA:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		12 HIS A  58
LEU A  76
PHE A 149
GLN A 151
ILE A 178
HIS A 209
GLU A 212
GLU A 273
LEU A 277
ASP A 308
SER A 309
TRP A 314
 FE2  A 502 ( 3.5A)
17E  A 501 (-4.9A)
17E  A 501 (-4.9A)
17E  A 501 (-2.9A)
None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
17E  A 501 (-4.3A)
None
FE2  A 502 ( 2.8A)
17E  A 501 (-3.2A)
17E  A 501 (-3.4A)
 0.16A 4r88E-4r85A:
72.3		 4r88E-4r85A:
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  68
HIS A 243
GLU A 246
LEU A 305
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
None
FE  A 481 (-2.8A)
 0.42A 4r88E-4v1yA:
32.1		 4r88E-4v1yA:
22.94
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.
5f64 POSITIVE
TRANSCRIPTION
REGULATOR EVGA

(Shigella
flexneri) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 LEU A 186
PHE A  86
ILE A 203
GLU A 148
SER A 145
 None
 1.47A 4r88E-5f64A:
undetectable		 4r88E-5f64A:
19.72
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		5 HIS A 507
LEU A 491
LEU A 469
ASP A 532
SER A 534
 None
 1.27A 4r88E-5j8jA:
undetectable		 4r88E-5j8jA:
19.57
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 PHE A 107
ILE A 312
GLU A 250
ASP A 247
SER A 245
 None
 1.39A 4r88E-5olkA:
undetectable		 4r88E-5olkA:
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 HIS A 197
LEU A 108
ILE A 179
GLU A 222
LEU A 220
 None
 1.16A 4r88E-5ovnA:
undetectable		 4r88E-5ovnA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 LEU A 859
GLU A 856
LEU A 831
ASP A 853
SER A 851
 None
 1.49A 4r88E-5ux5A:
7.5		 4r88E-5ux5A:
18.47
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.
5v7v ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE COMPONENT
HRD3

(Saccharomyces
cerevisiae) 		PF08238
(Sel1) 		5 LEU A  93
PHE A 120
ILE A 112
GLU A  91
LEU A  92
 None
 1.36A 4r88E-5v7vA:
undetectable		 4r88E-5v7vA:
19.56
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.
5wax -

(-) 		no annotation 5 LEU A 199
ILE A 263
GLU A 106
LEU A 203
SER A 239
 None
 1.19A 4r88E-5waxA:
undetectable		 4r88E-5waxA:
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.
5wht PUTATIVE
PERTUSSIS-LIKE TOXIN
SUBUNIT

(Salmonella
enterica) 		no annotation 5 LEU A 125
PHE A  53
ILE A  55
GLU A  84
SER A  81
 None
 1.43A 4r88E-5whtA:
undetectable		 4r88E-5whtA:
16.82
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.
6btg FUCULOSE PHOSPHATE
ALDOLASE

(Bacillus
thuringiensis) 		no annotation 5 HIS A  97
LEU A 138
ILE A 160
HIS A  95
GLU A  76
 MN  A 301 ( 3.3A)
None
None
MN  A 301 (-3.3A)
13P  A 302 ( 3.6A)
 1.43A 4r88E-6btgA:
undetectable		 4r88E-6btgA:
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.
6c0f RIBOSOME BIOGENESIS
PROTEIN SSF1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU v 339
ILE v 342
HIS v 353
GLU v 355
ASP v 158
 None
 1.40A 4r88E-6c0fv:
undetectable		 4r88E-6c0fv:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 HIS A 301
LEU A 252
ILE A 261
LEU A 249
SER A 294
 None
 1.29A 4r88E-6fhwA:
undetectable		 4r88E-6fhwA:
undetectable