SIMILAR PATTERNS OF AMINO ACIDS FOR 4OT2_A_NPSA601_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 240
VAL A 167
GLY A 166
SER A 350
LEU A 407
 None
 1.34A 4ot2A-1b3nA:
undetectable		 4ot2A-1b3nA:
21.56
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.
1bvw PROTEIN
(CELLOBIOHYDROLASE
II)

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 LEU A 228
PHE A 347
VAL A 301
GLY A 303
LEU A 255
 None
 1.10A 4ot2A-1bvwA:
undetectable		 4ot2A-1bvwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dju AROMATIC
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		5 PHE A 353
VAL A 361
GLY A 350
SER A 336
SER A  30
 None
 1.26A 4ot2A-1djuA:
undetectable		 4ot2A-1djuA:
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 ASN A 301
TYR A 266
VAL A 329
GLY A 328
SER A 298
 CA  A 604 ( 2.9A)
None
None
None
None
 1.05A 4ot2A-1fsuA:
undetectable		 4ot2A-1fsuA:
22.15
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A 415
CYH A 396
VAL A 448
GLY A 447
LEU A 450
 None
 1.37A 4ot2A-1iylA:
undetectable		 4ot2A-1iylA:
19.80
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.
1mvh CRYPTIC LOCI
REGULATOR 4

(Schizosaccharomyces
pombe) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 TYR A 451
VAL A 396
GLY A 359
LEU A 385
SER A 420
 None
 1.43A 4ot2A-1mvhA:
undetectable		 4ot2A-1mvhA:
18.01
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 LEU A 813
LYS A 560
VAL A 834
GLY A 833
LEU A 673
 None
 1.23A 4ot2A-1n7rA:
2.0		 4ot2A-1n7rA:
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 TYR A 221
LYS A 196
GLY A 161
LEU A 136
SER A 213
 None
 1.36A 4ot2A-1qh5A:
undetectable		 4ot2A-1qh5A:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		8 ASN A 391
PHE A 403
TYR A 411
LYS A 414
VAL A 433
GLY A 434
LEU A 453
SER A 489
 None
 0.73A 4ot2A-1tf0A:
46.8		 4ot2A-1tf0A:
76.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		8 LEU A 387
ASN A 391
PHE A 403
TYR A 411
LYS A 414
GLY A 434
LEU A 453
SER A 489
 None
 0.57A 4ot2A-1tf0A:
46.8		 4ot2A-1tf0A:
76.40
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 LEU A 226
TYR A 148
VAL A 208
GLY A 207
LEU A 182
 None
 1.20A 4ot2A-1ufaA:
3.7		 4ot2A-1ufaA:
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 LEU A 248
ASN A 249
PHE A 220
GLY A 240
SER A 255
 None
 1.37A 4ot2A-1xa6A:
undetectable		 4ot2A-1xa6A:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ysx SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 ASN A 391
CYH A 392
VAL A 433
GLY A 434
LEU A 430
 4EB  A1000 (-3.5A)
4EB  A1000 (-3.2A)
None
4EB  A1000 ( 4.7A)
None
 1.39A 4ot2A-1ysxA:
3.8		 4ot2A-1ysxA:
39.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 LEU A 474
PHE A 766
VAL A 540
GLY A 539
LEU A 415
 None
 1.26A 4ot2A-1z26A:
undetectable		 4ot2A-1z26A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2auj DNA-DIRECTED RNA
POLYMERASE BETA'
CHAIN

(Thermus
aquaticus) 		no annotation 5 TYR D 205
VAL D 185
GLY D 201
SER D 197
LEU D 191
 None
 1.18A 4ot2A-2aujD:
undetectable		 4ot2A-2aujD:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 PHE A 526
TYR A 473
VAL A 701
GLY A 702
SER A 609
 None
PAQ  A 471 ( 4.5A)
None
None
None
 1.34A 4ot2A-2c11A:
undetectable		 4ot2A-2c11A:
21.61
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 VAL A 135
GLY A 134
CYH A 132
LEU A  99
SER A   6
 None
 1.49A 4ot2A-2fpgA:
undetectable		 4ot2A-2fpgA:
20.07
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 VAL A 184
GLY A 185
CYH A 132
LEU A  10
SER A   6
 None
 1.39A 4ot2A-2fpgA:
undetectable		 4ot2A-2fpgA:
20.07
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.
2hfs MEVALONATE KINASE,
PUTATIVE

(Leishmania
major) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ASN A 156
VAL A 142
GLY A 143
SER A 139
LEU A 138
 None
 1.41A 4ot2A-2hfsA:
2.2		 4ot2A-2hfsA:
19.45
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.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 TYR A 180
VAL A  19
GLY A  20
CYH A   9
SER A  16
 None
 1.26A 4ot2A-2jjmA:
undetectable		 4ot2A-2jjmA:
20.57
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.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 232
CYH A 182
PHE A 391
GLY A 392
LEU A 285
 None
 1.31A 4ot2A-2p0uA:
undetectable		 4ot2A-2p0uA:
22.64
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		5 LEU A 274
VAL A 261
GLY A 260
SER A 289
SER A 268
 None
 1.33A 4ot2A-2p9bA:
undetectable		 4ot2A-2p9bA:
20.66
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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ASN A 383
TYR A 387
VAL A 410
GLY A 379
LEU A 408
 None
 1.25A 4ot2A-2pplA:
undetectable		 4ot2A-2pplA:
22.02
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 ASN A 526
CYH A 525
VAL A 484
GLY A 507
SER A 481
 None
 1.39A 4ot2A-2v5iA:
undetectable		 4ot2A-2v5iA:
21.94
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.
2w9y FATTY ACID/RETINOL
BINDING PROTEIN
PROTEIN 7, ISOFORM
A, CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF05823
(Gp-FAR-1) 		5 PHE A  37
VAL A  53
CYH A  46
LEU A  60
SER A  24
 None
 1.48A 4ot2A-2w9yA:
2.8		 4ot2A-2w9yA:
13.53
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.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 182
VAL A 156
GLY A 157
SER A 161
LEU A 189
 None
 1.36A 4ot2A-2yq4A:
undetectable		 4ot2A-2yq4A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 ASN A 342
PHE A 346
GLY A 298
SER A 302
SER A 413
 None
 1.38A 4ot2A-3aqpA:
3.5		 4ot2A-3aqpA:
21.87
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		5 PHE A  65
TYR A  51
VAL A  67
GLY A  66
LEU A 118
 None
 1.37A 4ot2A-3bw2A:
undetectable		 4ot2A-3bw2A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 ASN A 443
PHE A 168
VAL A 171
GLY A 439
LEU A 228
 None
 1.34A 4ot2A-3cj1A:
undetectable		 4ot2A-3cj1A:
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		5 PHE A 410
VAL A 426
GLY A 411
LEU A 424
SER A 444
 None
 1.44A 4ot2A-3e0jA:
undetectable		 4ot2A-3e0jA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A1178
VAL A1150
GLY A1151
SER A1134
LEU A1167
 None
 1.30A 4ot2A-3f2bA:
2.4		 4ot2A-3f2bA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 284
VAL A 282
GLY A 283
LEU A 264
SER A 230
 None
 1.32A 4ot2A-3gm8A:
undetectable		 4ot2A-3gm8A:
21.53
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 LEU A  91
CYH A 705
VAL A 698
GLY A 701
SER A 116
 None
 1.30A 4ot2A-3i5gA:
2.7		 4ot2A-3i5gA:
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 LEU A 531
GLY A 192
CYH A 233
LEU A 240
SER A 538
 J5Z  A1001 (-4.4A)
None
None
None
None
 1.50A 4ot2A-3i6rA:
undetectable		 4ot2A-3i6rA:
22.80
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 LEU T 630
PHE T 681
VAL T 621
GLY T 622
LEU T 578
 None
 1.45A 4ot2A-3icqT:
2.4		 4ot2A-3icqT:
20.08
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		5 LEU A  11
CYH A 101
PHE A  38
VAL A  93
LEU A  16
 None
 1.48A 4ot2A-3ixrA:
undetectable		 4ot2A-3ixrA:
16.09
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP3
U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF06544
(DUF1115)
PF08572
(PRP3) 		5 VAL K 383
GLY K 384
CYH K 389
LEU K 432
SER B 349
 None
 1.29A 4ot2A-3jcmK:
undetectable		 4ot2A-3jcmK:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 LEU A  72
VAL A  64
GLY A  63
SER A 208
LEU A 211
 None
 1.49A 4ot2A-3kgbA:
undetectable		 4ot2A-3kgbA:
18.81
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 544
PHE A 301
VAL A 299
GLY A 300
LEU A 287
 None
 1.17A 4ot2A-3n9vA:
undetectable		 4ot2A-3n9vA:
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.
3nuf PRD-CONTAINING
TRANSCRIPTION
REGULATOR

(Lactobacillus
paracasei) 		no annotation 5 LEU A 107
PHE A  45
TYR A  33
SER A  85
LEU A  88
 None
None
EDO  A 308 (-4.4A)
None
None
 1.33A 4ot2A-3nufA:
3.5		 4ot2A-3nufA:
13.09
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.
3o1h PERIPLASMIC PROTEIN
TORT

(Vibrio
parahaemolyticus) 		PF00532
(Peripla_BP_1) 		5 TYR B 184
VAL B 251
SER B 226
LEU B 168
SER B 197
 None
 1.48A 4ot2A-3o1hB:
undetectable		 4ot2A-3o1hB:
19.79
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.
3rsj BONT/F

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 LEU A1048
PHE A 907
VAL A 897
GLY A 908
SER A 915
 None
 1.50A 4ot2A-3rsjA:
undetectable		 4ot2A-3rsjA:
17.97
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.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 LEU A  21
LYS A  73
VAL A 104
GLY A 105
LEU A  50
 None
 1.18A 4ot2A-3tqsA:
undetectable		 4ot2A-3tqsA:
18.84
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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 TYR A 170
VAL A 217
GLY A 218
CYH A  18
LEU A 189
 None
 1.04A 4ot2A-4astA:
undetectable		 4ot2A-4astA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1p ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU A 450
VAL A 437
GLY A 436
SER A 432
LEU A 439
 None
 1.48A 4ot2A-4f1pA:
undetectable		 4ot2A-4f1pA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  91
PHE A  67
GLY A  56
SER A  40
LEU A  38
 None
 1.30A 4ot2A-4ftdA:
undetectable		 4ot2A-4ftdA:
21.84
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 275
CYH A 266
VAL A  21
LEU A 247
SER A 279
 FAD  A 601 ( 4.8A)
None
None
None
None
 1.42A 4ot2A-4ha6A:
2.4		 4ot2A-4ha6A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jon CENTROSOMAL PROTEIN
OF 170 KDA

(Homo sapiens) 		PF00498
(FHA) 		5 VAL A  39
GLY A  90
SER A  36
LEU A  34
SER A  10
 None
 1.34A 4ot2A-4jonA:
undetectable		 4ot2A-4jonA:
13.97
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.
4kyi VIPD

(Legionella
pneumophila) 		PF01734
(Patatin) 		5 LEU A 405
ASN A 370
CYH A 308
TYR A 366
SER A 408
 None
 1.48A 4ot2A-4kyiA:
3.7		 4ot2A-4kyiA:
20.81
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.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		5 VAL A 242
GLY A 255
CYH A  59
LEU A 236
SER A 233
 None
 1.49A 4ot2A-4lduA:
undetectable		 4ot2A-4lduA:
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.
4m69 MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 LEU B 453
PHE B 385
GLY B 386
CYH B 435
LEU B 428
 None
 1.33A 4ot2A-4m69B:
undetectable		 4ot2A-4m69B:
19.79
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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		5 PHE A 108
TYR A 100
VAL A 268
GLY A 245
LEU A 248
 None
 1.39A 4ot2A-4n18A:
undetectable		 4ot2A-4n18A:
21.49
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 PHE A 448
TYR A 439
GLY A 449
SER A 454
SER A 285
 None
 1.32A 4ot2A-4o6rA:
undetectable		 4ot2A-4o6rA:
20.88
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.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Dictyostelium
discoideum;
Homo sapiens) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 LEU A  93
CYH A 711
VAL A 704
GLY A 707
SER A 118
 None
 1.49A 4ot2A-4pd3A:
3.2		 4ot2A-4pd3A:
21.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 LEU A 387
ASN A 391
PHE A 403
TYR A 411
VAL A 433
GLY A 434
LEU A 453
SER A 489
 NPS  A 601 ( 4.7A)
NPS  A 601 (-4.3A)
None
NPS  A 601 (-4.3A)
None
None
NPS  A 601 (-4.7A)
NPS  A 601 (-3.1A)
 0.46A 4ot2A-4po0A:
49.9		 4ot2A-4po0A:
70.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 LEU A 387
ASN A 391
TYR A 411
LYS A 414
VAL A 433
GLY A 434
LEU A 453
SER A 489
 NPS  A 601 ( 4.7A)
NPS  A 601 (-4.3A)
NPS  A 601 (-4.3A)
NPS  A 601 (-2.7A)
None
None
NPS  A 601 (-4.7A)
NPS  A 601 (-3.1A)
 0.57A 4ot2A-4po0A:
49.9		 4ot2A-4po0A:
70.89
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.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 180
VAL A 154
GLY A 155
SER A 159
LEU A 187
 None
 1.24A 4ot2A-4prkA:
undetectable		 4ot2A-4prkA:
21.83
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.
4q48 DNA HELICASE RECQ

(Deinococcus
radiodurans) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A 387
CYH A 381
GLY A 399
CYH A 404
SER A 206
 None
ZN  A 801 (-2.3A)
ZN  A 801 (-4.6A)
ZN  A 801 (-2.3A)
None
 1.42A 4ot2A-4q48A:
undetectable		 4ot2A-4q48A:
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.
4rgp CSM6_III-A

(Streptococcus
mutans) 		PF09659
(Cas_Csm6) 		5 ASN A  72
TYR A 241
LYS A 244
VAL A  48
SER A  68
 None
 1.39A 4ot2A-4rgpA:
undetectable		 4ot2A-4rgpA:
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 PHE A  53
VAL A 316
GLY A  68
CYH A  69
LEU A 144
 None
 1.24A 4ot2A-4s13A:
undetectable		 4ot2A-4s13A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 ASN A 127
VAL A 160
GLY A 159
CYH A 158
LEU A 169
 None
 1.43A 4ot2A-4v15A:
undetectable		 4ot2A-4v15A:
21.83
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.
4w7v CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		5 LEU A  85
VAL A   7
GLY A   6
LEU A   9
SER A  74
 None
 1.43A 4ot2A-4w7vA:
undetectable		 4ot2A-4w7vA:
19.73
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG

(Escherichia
coli) 		PF06754
(PhnG) 		5 LEU A  27
CYH A  95
VAL A  14
SER A  18
LEU A 119
 None
 1.33A 4ot2A-4xb6A:
undetectable		 4ot2A-4xb6A:
13.89
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.
4xhc ALPHA-L-RHAMNOSIDASE

(Klebsiella
oxytoca) 		PF17389
(Bac_rhamnosid6H) 		5 LEU A 205
ASN A 209
CYH A 210
GLY A 218
SER A  81
 None
 0.96A 4ot2A-4xhcA:
2.5		 4ot2A-4xhcA:
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.
4yu4 HEMOGLOBIN

(Helogale
parvula) 		PF00042
(Globin) 		5 LEU B  75
VAL B   1
GLY B 136
LEU B   3
SER B  12
 None
 1.50A 4ot2A-4yu4B:
undetectable		 4ot2A-4yu4B:
13.01
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 LEU A 413
PHE A 382
VAL A 504
GLY A 505
LEU A 493
 None
 1.36A 4ot2A-4z11A:
undetectable		 4ot2A-4z11A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		6 LEU A 386
ASN A 390
PHE A 402
GLY A 430
LEU A 452
SER A 488
 None
 1.47A 4ot2A-5dqfA:
54.7		 4ot2A-5dqfA:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		8 LEU A 386
ASN A 390
PHE A 402
LYS A 413
GLY A 433
SER A 448
LEU A 452
SER A 488
 None
 0.52A 4ot2A-5dqfA:
54.7		 4ot2A-5dqfA:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		9 LEU A 386
ASN A 390
PHE A 402
TYR A 410
LYS A 413
VAL A 432
GLY A 433
SER A 448
SER A 488
 None
 0.39A 4ot2A-5dqfA:
54.7		 4ot2A-5dqfA:
99.83
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.
5e5o I-SMAMI LAGLIDADG
ENDONUCLEASE

(Sordaria
macrospora) 		PF00961
(LAGLIDADG_1) 		5 LEU A 213
VAL A 176
GLY A 180
LEU A 172
SER A 216
 None
 1.38A 4ot2A-5e5oA:
2.3		 4ot2A-5e5oA:
17.95
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 LEU A 151
ASN A 187
CYH A 186
TYR A 257
GLY A 229
 EDO  A 614 ( 4.7A)
CA  A 643 ( 4.8A)
None
EDO  A 614 (-4.1A)
None
 1.23A 4ot2A-5ecuA:
undetectable		 4ot2A-5ecuA:
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.
5esp I-PANMI

(Podospora
anserina) 		PF00961
(LAGLIDADG_1) 		5 LEU A 211
VAL A 174
GLY A 178
LEU A 170
SER A 214
 None
 1.36A 4ot2A-5espA:
undetectable		 4ot2A-5espA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		9 LEU A 387
ASN A 391
PHE A 403
TYR A 411
LYS A 414
VAL A 433
GLY A 434
LEU A 453
SER A 489
 None
 0.60A 4ot2A-5ghkA:
47.2		 4ot2A-5ghkA:
75.86
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.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 LEU A 116
VAL A 108
GLY A 107
SER A 253
LEU A 256
 None
 1.44A 4ot2A-5h3aA:
undetectable		 4ot2A-5h3aA:
19.69
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 VAL B 276
GLY B 277
SER B 246
LEU B 249
SER B 287
 None
 1.24A 4ot2A-5hzgB:
undetectable		 4ot2A-5hzgB:
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.
5ine PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF00798
(Arena_glycoprot) 		5 LEU A 340
GLY A 246
SER A 248
LEU A 251
SER A 140
 None
 1.30A 4ot2A-5ineA:
undetectable		 4ot2A-5ineA:
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 PHE A 467
TYR A 458
GLY A 468
SER A 473
SER A 306
 IAC  A 701 (-4.5A)
None
None
None
None
 1.44A 4ot2A-5iuwA:
undetectable		 4ot2A-5iuwA:
21.86
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.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		5 LEU A  53
PHE A 118
GLY A  91
CYH A  90
LEU A  61
 None
 1.17A 4ot2A-5kh0A:
undetectable		 4ot2A-5kh0A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 9 LEU A 386
ASN A 390
PHE A 402
TYR A 410
LYS A 413
VAL A 432
GLY A 433
LEU A 452
SER A 488
 None
 0.79A 4ot2A-5oriA:
50.3		 4ot2A-5oriA:
75.13
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 LEU A  95
VAL A 100
GLY A  99
CYH A 114
LEU A 184
 None
None
None
ZN  A 606 (-2.3A)
None
 1.32A 4ot2A-5u2oA:
undetectable		 4ot2A-5u2oA:
9.07
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.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 787
ASN A 791
TYR A 616
VAL A 795
GLY A 794
 None
 1.11A 4ot2A-5welA:
3.5		 4ot2A-5welA:
20.02
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 LEU A 158
ASN A 195
CYH A 194
TYR A 258
GLY A 230
 EDO  A 411 (-3.7A)
None
None
EDO  A 411 (-4.0A)
None
 1.26A 4ot2A-5wh8A:
undetectable		 4ot2A-5wh8A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xau LAMININ SUBUNIT
ALPHA-5

(Homo sapiens) 		PF02210
(Laminin_G_2)
PF06009
(Laminin_II) 		5 LEU A2946
VAL A2993
GLY A2977
SER A2974
LEU A2972
 None
 1.06A 4ot2A-5xauA:
undetectable		 4ot2A-5xauA:
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A 267
PHE A 525
VAL A 275
GLY A 274
LEU A 242
 None
 0.97A 4ot2A-5xdrA:
2.0		 4ot2A-5xdrA:
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 9 LEU A 387
ASN A 391
PHE A 403
TYR A 411
LYS A 414
VAL A 433
GLY A 434
LEU A 453
SER A 489
 None
 0.74A 4ot2A-5yxeA:
45.8		 4ot2A-5yxeA:
14.17
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 5 LEU A 225
VAL A 160
GLY A 161
CYH A 280
LEU A 232
 None
 1.43A 4ot2A-5z9xA:
undetectable		 4ot2A-5z9xA:
10.40