SIMILAR PATTERNS OF AMINO ACIDS FOR 4XP1_A_LDPA708

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 PHE A 337
ALA A 361
ASP A 360
TYR A  26
GLY A 358
 None
 1.07A 4xp1A-1a0cA:
0.0		 4xp1A-1a0cA:
21.52
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.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PHE A 160
ALA A  93
VAL A  97
ASP A  96
SER A 162
 None
 1.32A 4xp1A-1axdA:
undetectable		 4xp1A-1axdA:
17.68
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
 None
 1.35A 4xp1A-1d1tA:
0.0		 4xp1A-1d1tA:
21.42
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 175
ALA A 182
VAL A 183
SER A 176
GLY A 178
 None
 1.37A 4xp1A-1ee2A:
0.0		 4xp1A-1ee2A:
22.73
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.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 VAL A 132
ASP A 133
PHE A 249
SER A 204
SER A 135
 None
 1.40A 4xp1A-1eg1A:
undetectable		 4xp1A-1eg1A:
20.73
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.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		5 ALA A 242
VAL A 243
SER A 286
SER A 285
GLY A 290
 None
 1.28A 4xp1A-1hjuA:
undetectable		 4xp1A-1hjuA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 399
ALA A 245
VAL A 214
TYR A 215
GLY A 210
 None
 1.09A 4xp1A-1hrdA:
0.3		 4xp1A-1hrdA:
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 ASP A 202
ALA A 430
VAL A  47
TYR A  49
GLY A 334
 GOL  A1007 (-3.6A)
None
None
GOL  A1007 (-4.1A)
None
 1.22A 4xp1A-1itxA:
0.0		 4xp1A-1itxA:
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		5 ASP A 148
ALA A  85
TYR A 111
SER A  98
GLY A  86
 None
 1.21A 4xp1A-1j31A:
0.0		 4xp1A-1j31A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 ALA A  97
VAL A  96
ASP A  95
PHE A 201
SER A  62
 None
 1.20A 4xp1A-1ks5A:
undetectable		 4xp1A-1ks5A:
17.76
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA B 281
ASP B 278
TYR B 310
SER B 273
GLY B 279
 None
 1.43A 4xp1A-1lpbB:
undetectable		 4xp1A-1lpbB:
20.84
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 ALA A 200
VAL A  60
TYR A  17
SER A 217
SER A 218
 None
 1.19A 4xp1A-1nlrA:
undetectable		 4xp1A-1nlrA:
19.40
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 PHE A 550
ALA A 996
VAL A 491
PHE A 999
GLY A 488
 None
 1.38A 4xp1A-1no7A:
undetectable		 4xp1A-1no7A:
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 PHE X 263
ALA X 303
ASP X 302
PHE X 267
GLY X 299
 None
 1.29A 4xp1A-1r6bX:
undetectable		 4xp1A-1r6bX:
20.82
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
 None
 1.38A 4xp1A-1u3tA:
undetectable		 4xp1A-1u3tA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 ASP A 423
ALA A 141
SER A 426
SER A 429
GLY A 431
 None
 1.42A 4xp1A-1vrqA:
undetectable		 4xp1A-1vrqA:
20.10
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 483
VAL A 482
ASP A 481
TYR A 480
SER A 393
 IOD  A9036 ( 4.3A)
None
None
EDO  A9080 (-3.7A)
EDO  A9080 (-4.4A)
 1.40A 4xp1A-1xc6A:
undetectable		 4xp1A-1xc6A:
21.52
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.
2ah5 COG0546: PREDICTED
PHOSPHATASES

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 ASP A  12
ALA A  25
SER A  18
SER A  19
GLY A  21
 None
 1.37A 4xp1A-2ah5A:
undetectable		 4xp1A-2ah5A:
17.20
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.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 ASP A 150
ALA A  74
TYR A 219
PHE A  75
GLY A  78
 None
 1.31A 4xp1A-2b6oA:
undetectable		 4xp1A-2b6oA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 ASP A 162
ALA A 258
PHE A 325
SER A 255
GLY A 257
 None
 1.41A 4xp1A-2d40A:
undetectable		 4xp1A-2d40A:
20.58
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.
2gze COLICIN-E9 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF01320
(Colicin_Pyocin) 		5 PHE A  40
ASP A  51
TYR A  54
SER A  50
GLY A  49
 None
 1.33A 4xp1A-2gzeA:
undetectable		 4xp1A-2gzeA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 ASP A 113
ALA A 347
TYR A 358
SER A 357
GLY A 348
 None
 1.27A 4xp1A-2qneA:
undetectable		 4xp1A-2qneA:
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ASP A 169
ALA A 233
ASP A 234
TYR A 235
GLY A 174
 None
 1.42A 4xp1A-2ww2A:
undetectable		 4xp1A-2ww2A:
21.60
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.
2xut PROTON/PEPTIDE
SYMPORTER FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 ASP A 316
ALA A 120
TYR A  68
PHE A  63
GLY A  66
 None
 1.14A 4xp1A-2xutA:
0.2		 4xp1A-2xutA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 398
ALA A 246
VAL A 215
TYR A 216
GLY A 211
 None
 1.13A 4xp1A-2yfhA:
undetectable		 4xp1A-2yfhA:
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 103
VAL A 363
ASP A 362
PHE A 226
SER A 319
 None
None
None
None
YNE  A1001 (-3.5A)
 1.06A 4xp1A-2yneA:
undetectable		 4xp1A-2yneA:
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.
2yz1 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE
SUBSTRATE 1

(Mus musculus) 		PF07686
(V-set) 		5 ALA A  21
VAL A  19
ASP A  23
SER A  83
GLY A  22
 None
 1.39A 4xp1A-2yz1A:
undetectable		 4xp1A-2yz1A:
12.31
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.
3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF06325
(PrmA) 		5 PHE A 360
VAL A 293
ASP A 292
TYR A 356
GLY A 291
 BEN  A6001 (-4.8A)
BEN  A6001 ( 4.8A)
None
None
BEN  A6001 (-3.5A)
 1.22A 4xp1A-3b3jA:
undetectable		 4xp1A-3b3jA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 ASP A 218
VAL A 254
TYR A 251
SER A 222
GLY A 224
 None
 1.08A 4xp1A-3fysA:
undetectable		 4xp1A-3fysA:
21.39
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A1149
ASP A1126
SER A1129
SER A1128
GLY A1103
 None
 1.24A 4xp1A-3greA:
undetectable		 4xp1A-3greA:
21.44
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.
3h14 AMINOTRANSFERASE,
CLASSES I AND II

(Ruegeria
pomeroyi) 		PF00155
(Aminotran_1_2) 		5 PHE A 330
ALA A 318
ASP A 319
PHE A 304
SER A 321
 None
 1.41A 4xp1A-3h14A:
undetectable		 4xp1A-3h14A:
22.92
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ASP B 364
VAL B 409
PHE B 235
SER B 352
GLY B 347
 None
 1.43A 4xp1A-3hhsB:
undetectable		 4xp1A-3hhsB:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ASP A 139
ALA A 162
VAL A 174
SER A 142
SER A 145
 None
 1.12A 4xp1A-3ibrA:
undetectable		 4xp1A-3ibrA:
22.88
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 PHE A 222
ALA A 219
VAL A 212
SER A 176
GLY A 174
 None
 1.39A 4xp1A-3ik2A:
undetectable		 4xp1A-3ik2A:
20.17
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 ASP E 407
ALA E 391
SER E 118
SER E 119
GLY E 139
 None
 1.36A 4xp1A-3kfuE:
undetectable		 4xp1A-3kfuE:
24.16
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.
3llm ATP-DEPENDENT RNA
HELICASE A

(Homo sapiens) 		PF00270
(DEAD) 		5 ALA A 454
VAL A 457
PHE A 488
SER A 485
GLY A 470
 None
 1.22A 4xp1A-3llmA:
undetectable		 4xp1A-3llmA:
17.32
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.
3m9i LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 ASP A 150
ALA A  74
TYR A 219
PHE A  75
GLY A  78
 None
 1.30A 4xp1A-3m9iA:
undetectable		 4xp1A-3m9iA:
20.60
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 VAL A 104
TYR A 108
PHE A 259
SER A 355
SER A 356
 None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.79A 4xp1A-3mpnA:
40.4		 4xp1A-3mpnA:
29.22
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.
3nf2 PUTATIVE POLYPRENYL
SYNTHETASE

(Streptomyces
coelicolor) 		PF00348
(polyprenyl_synt) 		5 ALA A 100
VAL A 102
SER A 226
SER A 227
GLY A 229
 None
 1.33A 4xp1A-3nf2A:
0.9		 4xp1A-3nf2A:
22.18
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ASP A 870
VAL A 929
TYR A 732
PHE A 877
SER A 733
 None
 1.29A 4xp1A-3o8oA:
undetectable		 4xp1A-3o8oA:
21.66
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.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A 202
ALA A 216
VAL A 387
TYR A 384
GLY A 212
 None
None
None
EDO  A 632 (-4.7A)
None
 1.30A 4xp1A-3otnA:
undetectable		 4xp1A-3otnA:
23.52
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.
3q08 CHLORITE DISMUTASE

(Dechloromonas
aromatica) 		PF06778
(Chlor_dismutase) 		5 PHE A  94
ALA A 103
PHE A  27
SER A  96
GLY A 100
 None
 1.41A 4xp1A-3q08A:
undetectable		 4xp1A-3q08A:
18.06
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.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 ASP A 384
VAL A 362
PHE A 367
SER A 365
SER A 364
 None
 1.09A 4xp1A-3q54A:
undetectable		 4xp1A-3q54A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		5 ASP A 151
ALA A 392
VAL A  26
TYR A  28
GLY A 272
 None
 1.24A 4xp1A-3qokA:
undetectable		 4xp1A-3qokA:
21.78
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		5 ASP A  62
TYR A 161
PHE A 147
SER A 162
GLY A 140
 None
 1.24A 4xp1A-3rohA:
undetectable		 4xp1A-3rohA:
21.78
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		5 ALA A  84
TYR A  77
PHE A 137
SER A 130
GLY A 134
 None
 1.19A 4xp1A-3sc6A:
undetectable		 4xp1A-3sc6A:
17.78
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.
3uen DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF12738
(PTCB-BRCT) 		5 PHE A 558
ASP A 592
ALA A 579
SER A 557
GLY A 580
 None
 1.24A 4xp1A-3uenA:
undetectable		 4xp1A-3uenA:
17.68
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.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ASP A   3
ALA A  44
VAL A  21
ASP A  20
GLY A  19
 None
 1.37A 4xp1A-3zl8A:
undetectable		 4xp1A-3zl8A:
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1089
VAL A1159
ASP A1186
SER A1261
GLY A1187
 None
 1.19A 4xp1A-3zyvA:
undetectable		 4xp1A-3zyvA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 VAL A1159
ASP A1186
SER A1261
SER A1188
GLY A1187
 None
 1.27A 4xp1A-3zyvA:
undetectable		 4xp1A-3zyvA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b5e PS2-8

(Lama glama) 		PF07686
(V-set) 		5 ALA A  14
VAL A 125
SER A  84
SER A  17
GLY A  15
 None
 1.41A 4xp1A-4b5eA:
undetectable		 4xp1A-4b5eA:
14.97
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.
4bhl ARGININE KINASE

(Litopenaeus
vannamei) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 PHE A 110
ASP A 106
PHE A 243
SER A 109
GLY A 240
 None
 1.36A 4xp1A-4bhlA:
undetectable		 4xp1A-4bhlA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 399
ALA A 247
VAL A 216
TYR A 217
GLY A 212
 None
 1.11A 4xp1A-4bhtA:
undetectable		 4xp1A-4bhtA:
23.88
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.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 ASP A 173
ALA A  16
TYR A  65
SER A  79
GLY A  12
 None
 1.24A 4xp1A-4bqnA:
undetectable		 4xp1A-4bqnA:
20.94
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 188
VAL A 449
ASP A 448
PHE A 311
SER A 405
 None
 1.07A 4xp1A-4c2xA:
undetectable		 4xp1A-4c2xA:
20.46
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 PHE B 223
ASP B 288
ALA A 310
SER B 291
GLY A 326
 None
 1.29A 4xp1A-4cakB:
undetectable		 4xp1A-4cakB:
19.77
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 ASP A 138
ALA A 154
VAL A 153
SER A 166
GLY A 130
 None
PMS  A 301 (-3.6A)
None
None
None
 1.42A 4xp1A-4dztA:
undetectable		 4xp1A-4dztA:
20.49
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.
4fd7 PUTATIVE
ARYLALKYLAMINE
N-ACETYLTRANSFERASE
7

(Aedes aegypti) 		PF00583
(Acetyltransf_1) 		5 PHE A  18
ALA A 165
VAL A 155
TYR A 159
GLY A 163
 None
 1.31A 4xp1A-4fd7A:
0.6		 4xp1A-4fd7A:
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.
4ftd UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		PF15416
(DUF4623) 		5 PHE A 236
ALA A 270
PHE A 284
SER A 227
GLY A 267
 None
 1.41A 4xp1A-4ftdA:
undetectable		 4xp1A-4ftdA:
24.57
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 ALA A 204
VAL A 177
PHE A 182
SER A 156
GLY A 180
 None
 1.18A 4xp1A-4gt6A:
undetectable		 4xp1A-4gt6A:
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.
4n4u PUTATIVE ABC
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 PHE A 228
ASP A 229
ALA A  72
TYR A  92
PHE A  31
 None
 1.20A 4xp1A-4n4uA:
undetectable		 4xp1A-4n4uA:
20.52
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.
4ppu CHORISMATE MUTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 ASP A 155
ALA A 146
PHE A 151
SER A 153
GLY A 149
 None
None
None
TYR  A 401 ( 4.7A)
TYR  A 401 (-4.8A)
 1.21A 4xp1A-4ppuA:
undetectable		 4xp1A-4ppuA:
17.13
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.
4pqj PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 PHE A 201
ALA A 195
VAL A 143
ASP A 144
SER A 148
 None
 1.06A 4xp1A-4pqjA:
undetectable		 4xp1A-4pqjA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 155
VAL A 432
ASP A 431
PHE A 278
SER A 378
 None
2XQ  A 505 (-4.5A)
None
2XQ  A 505 (-3.6A)
2XQ  A 505 (-3.1A)
 1.07A 4xp1A-4qbjA:
undetectable		 4xp1A-4qbjA:
19.60
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.
4qko PYOCIN-S2 IMMUNITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF01320
(Colicin_Pyocin) 		5 PHE A  41
ASP A  52
TYR A  55
SER A  51
GLY A  50
 None
 1.26A 4xp1A-4qkoA:
undetectable		 4xp1A-4qkoA:
9.53
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.
4rlc OUTER MEMBRANE PORIN
F

(Pseudomonas
aeruginosa) 		PF05736
(OprF) 		5 ASP A 134
ALA A  10
PHE A  11
SER A 132
GLY A 155
 None
C8E  A 202 ( 4.1A)
None
None
None
 1.21A 4xp1A-4rlcA:
undetectable		 4xp1A-4rlcA:
16.24
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 PHE A 243
ASP A 144
ALA A 240
SER A 138
GLY A 241
 None
 1.34A 4xp1A-4up3A:
undetectable		 4xp1A-4up3A:
20.38
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 PHE A 340
ALA A 364
ASP A 363
TYR A  29
GLY A 361
 None
 1.09A 4xp1A-4xkmA:
undetectable		 4xp1A-4xkmA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 ASP A 121
ASP A  46
SER A 422
SER A 421
GLY A 418
 41U  A 605 ( 4.2A)
41U  A 605 ( 3.3A)
None
NA  A 602 ( 2.4A)
NA  A 602 ( 4.2A)
 1.38A 4xp1A-4xnuA:
63.0		 4xp1A-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		9 PHE A  43
ASP A  46
ALA A 117
VAL A 120
ASP A 121
TYR A 124
SER A 421
SER A 422
GLY A 425
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 3.7A)
41U  A 605 (-4.2A)
41U  A 605 ( 4.2A)
41U  A 605 ( 3.8A)
NA  A 602 ( 2.4A)
None
41U  A 605 ( 3.7A)
 0.58A 4xp1A-4xnuA:
63.0		 4xp1A-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 PHE A  43
ASP A  46
TYR A 124
SER A 421
SER A 422
GLY A 424
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 3.8A)
NA  A 602 ( 2.4A)
None
None
 1.11A 4xp1A-4xnuA:
63.0		 4xp1A-4xnuA:
98.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 685
TYR A 673
SER A 617
SER A 622
GLY A 676
 None
 1.23A 4xp1A-4zlgA:
undetectable		 4xp1A-4zlgA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ASP A 373
ALA A  40
ASP A  44
SER A  46
GLY A  47
 None
 1.38A 4xp1A-5c2vA:
undetectable		 4xp1A-5c2vA:
22.32
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ALA A  62
VAL A  60
TYR A 311
SER A 270
GLY A 273
 None
 1.41A 4xp1A-5c41A:
undetectable		 4xp1A-5c41A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ALA A 461
VAL A 496
SER A 305
SER A 304
GLY A 303
 None
 1.12A 4xp1A-5cwaA:
undetectable		 4xp1A-5cwaA:
22.98
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 ASP A 299
VAL A 308
TYR A 304
SER A 272
GLY A 274
 PLP  A1001 (-3.2A)
None
None
PLP  A1001 (-2.6A)
None
 1.38A 4xp1A-5d86A:
undetectable		 4xp1A-5d86A:
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.
5edl PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE

(Bacillus
subtilis) 		PF09819
(ABC_cobalt) 		5 ALA A 101
VAL A 102
SER A 124
SER A 123
GLY A  98
 MPG  A 202 (-2.8A)
None
None
None
MPG  A 203 ( 4.1A)
 1.39A 4xp1A-5edlA:
1.0		 4xp1A-5edlA:
17.40
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.
5ep0 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		5 ALA A  90
VAL A  91
ASP A  88
PHE A 101
SER A 340
 None
 1.39A 4xp1A-5ep0A:
undetectable		 4xp1A-5ep0A:
19.89
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
 None
 1.12A 4xp1A-5epgA:
undetectable		 4xp1A-5epgA:
17.15
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ASP A 106
ALA A 146
ASP A 144
SER A  83
GLY A  77
 None
 1.41A 4xp1A-5gmsA:
undetectable		 4xp1A-5gmsA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hns NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		no annotation 5 ALA A 427
VAL A 429
ASP A 428
TYR A 420
GLY A 426
 NAG  A 704 (-3.6A)
NAG  A 703 ( 4.7A)
NAG  A 704 (-4.6A)
None
None
 1.26A 4xp1A-5hnsA:
undetectable		 4xp1A-5hnsA:
17.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		5 ALA A 169
TYR A 176
SER A 438
SER A 439
GLY A 442
 None
 0.48A 4xp1A-5i6zA:
53.0		 4xp1A-5i6zA:
53.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		5 ASP A  98
ALA A 169
SER A 438
SER A 439
GLY A 442
 None
 0.91A 4xp1A-5i6zA:
53.0		 4xp1A-5i6zA:
53.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		5 TYR A 176
PHE A 341
SER A 438
SER A 439
GLY A 442
 None
 1.15A 4xp1A-5i6zA:
53.0		 4xp1A-5i6zA:
53.64
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASP A 398
ALA A 248
VAL A 217
TYR A 218
GLY A 213
 None
 1.19A 4xp1A-5ijzA:
undetectable		 4xp1A-5ijzA:
23.06
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		5 ASP A 602
ALA A 634
ASP A 635
PHE A 630
GLY A 638
 None
 1.39A 4xp1A-5jwfA:
1.5		 4xp1A-5jwfA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 ASP A 890
ALA A 913
VAL A 843
ASP A 842
PHE A 914
 None
 1.32A 4xp1A-5lewA:
undetectable		 4xp1A-5lewA:
18.79
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 5 ASP A 263
ALA A 272
ASP A 226
SER A 224
GLY A 227
 None
 1.41A 4xp1A-5mrjA:
undetectable		 4xp1A-5mrjA:
9.78
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 PHE B  64
ALA B 257
VAL B 256
SER B  65
SER B  69
 None
 1.42A 4xp1A-5mrwB:
undetectable		 4xp1A-5mrwB:
23.53
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 PHE A 339
ALA A 363
ASP A 362
TYR A  28
GLY A 360
 None
 1.19A 4xp1A-5nhbA:
undetectable		 4xp1A-5nhbA:
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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 379
VAL A 340
ASP A 341
SER A 344
GLY A 377
 None
None
MG  A1003 ( 3.9A)
None
None
 1.27A 4xp1A-5o6bA:
undetectable		 4xp1A-5o6bA:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL

(Homo sapiens) 		PF07147
(PDCD9) 		5 PHE 5 354
VAL 5 181
TYR 5 292
PHE 5 352
GLY 5 346
 None
 1.38A 4xp1A-5ool5:
undetectable		 4xp1A-5ool5:
19.78
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.
5u6k DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Mus musculus) 		PF12738
(PTCB-BRCT) 		5 PHE A 561
ASP A 595
ALA A 582
SER A 560
GLY A 583
 None
 1.23A 4xp1A-5u6kA:
undetectable		 4xp1A-5u6kA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		5 ALA A  61
ASP A  27
TYR A 244
PHE A  62
SER A 245
 None
 1.36A 4xp1A-5upbA:
undetectable		 4xp1A-5upbA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 ALA A 275
VAL A 278
SER A 308
SER A 291
GLY A 293
 None
 1.37A 4xp1A-5vhaA:
undetectable		 4xp1A-5vhaA:
9.77
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.
5w0a GLUCANASE

(Trichoderma
harzianum) 		no annotation 5 VAL A 132
ASP A 133
PHE A 249
SER A 204
SER A 135
 VAL  A 132 ( 0.6A)
ASP  A 133 ( 0.6A)
PHE  A 249 ( 1.3A)
SER  A 204 ( 0.0A)
SER  A 135 ( 0.0A)
 1.39A 4xp1A-5w0aA:
undetectable		 4xp1A-5w0aA:
9.98
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		5 ALA A 340
VAL A 158
SER A 333
SER A 334
GLY A 336
 None
 1.38A 4xp1A-5x4tA:
undetectable		 4xp1A-5x4tA:
21.31
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 ASP A 405
ALA A 236
VAL A 202
TYR A 203
GLY A 198
 None
 1.22A 4xp1A-5xviA:
undetectable		 4xp1A-5xviA:
9.16
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.
5z1w POLYCYSTIC KIDNEY
DISEASE 2-LIKE 1
PROTEIN

(Mus musculus) 		no annotation 5 VAL A 322
PHE A 324
SER A 153
SER A 152
GLY A 329
 None
 1.43A 4xp1A-5z1wA:
1.9		 4xp1A-5z1wA:
9.43
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 5 PHE A 359
VAL A 292
ASP A 291
TYR A 355
GLY A 290
 None
 1.31A 4xp1A-6d2lA:
undetectable		 4xp1A-6d2lA:
9.04