SIMILAR PATTERNS OF AMINO ACIDS FOR 4A7A_A_RGZA601_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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 TYR A 603
LEU A 595
CYH A 596
ILE A 579
PHE A 691
 None
 1.48A 4a7aA-1c4kA:
undetectable		 4a7aA-1c4kA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  59
LEU A  17
CYH A  16
ILE A  79
TYR A  24
 None
 1.45A 4a7aA-1gq4A:
undetectable		 4a7aA-1gq4A:
11.99
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 LEU A 133
ILE A 131
TYR A  53
PHE A  24
TYR A  30
 None
None
None
None
GOL  A 533 (-3.6A)
 1.34A 4a7aA-1kfwA:
undetectable		 4a7aA-1kfwA:
21.08
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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 359
ILE A 335
ILE A 357
TYR A 323
TYR A 525
 None
 1.38A 4a7aA-1o0sA:
0.0		 4a7aA-1o0sA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		6 TYR A  69
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 FAD  A 652 (-4.3A)
MLG  A 709 (-3.8A)
None
None
MLG  A 709 ( 3.8A)
FAD  A 652 ( 4.5A)
 0.66A 4a7aA-1o5wA:
60.9		 4a7aA-1o5wA:
70.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 TYR A 284
LEU A 245
GLN A 229
ILE A 249
TYR A 153
 None
 1.27A 4a7aA-1pzxA:
0.8		 4a7aA-1pzxA:
20.62
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 LEU A 397
LEU A 404
GLN A 388
ILE A 540
TYR A 544
 None
 1.37A 4a7aA-1q50A:
undetectable		 4a7aA-1q50A:
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 LEU A  31
CYH A 305
ILE A 244
ILE A  20
PHE A 216
 None
 1.44A 4a7aA-1q8fA:
2.3		 4a7aA-1q8fA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 TYR A 247
LEU A 397
ILE A 295
GLN A 245
PHE A 401
 None
 1.43A 4a7aA-1uqwA:
undetectable		 4a7aA-1uqwA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 LEU A 358
LEU A 396
ILE A 372
TYR A 413
TYR A 454
 None
 1.40A 4a7aA-1wcgA:
undetectable		 4a7aA-1wcgA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1210
LEU A1202
ILE A1171
ILE A1165
TYR A1194
 None
 1.23A 4a7aA-1wufA:
undetectable		 4a7aA-1wufA:
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		5 TYR A 217
LEU A 154
GLN A 191
ILE A 113
TYR A  52
 NAD  A1350 (-3.2A)
None
NAD  A1350 (-3.7A)
None
None
 1.19A 4a7aA-1z9aA:
undetectable		 4a7aA-1z9aA:
20.53
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.
2bfw GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1) 		5 LEU A 275
LEU A 268
ILE A 387
PHE A 254
TYR A 337
 None
 1.43A 4a7aA-2bfwA:
undetectable		 4a7aA-2bfwA:
16.51
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 LEU X  63
LEU X  76
GLN X 174
TYR X  43
TYR X 170
 None
YMP  X 601 (-4.8A)
YMP  X 601 (-3.2A)
YMP  X 601 (-4.7A)
YMP  X 601 (-4.6A)
 1.43A 4a7aA-2dlcX:
undetectable		 4a7aA-2dlcX:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3

(Homo sapiens) 		no annotation 5 LEU A 396
LEU A 434
ILE A 485
GLN A 437
ILE A 358
 None
 1.49A 4a7aA-2gkwA:
undetectable		 4a7aA-2gkwA:
15.27
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 LEU A 107
LEU A  66
ILE A  70
ILE A  94
TYR A  98
 None
None
None
ACO  A 402 (-4.1A)
None
 1.33A 4a7aA-2i79A:
undetectable		 4a7aA-2i79A:
16.10
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.
2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01812
(5-FTHF_cyc-lig) 		5 LEU A  35
ILE A  47
ILE A  62
TYR A 143
TYR A 146
 None
None
None
PO4  A1191 (-4.7A)
None
 1.49A 4a7aA-2jcbA:
undetectable		 4a7aA-2jcbA:
17.27
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.
2lf8 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		5 LEU A 430
LEU A 394
ILE A 402
PHE A 413
TYR A 387
 None
 1.43A 4a7aA-2lf8A:
undetectable		 4a7aA-2lf8A:
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.
2ohc TRNA-SPLICING
ENDONUCLEASE

(Thermoplasma
acidophilum) 		PF01974
(tRNA_int_endo) 		5 ILE A  52
ILE A  22
TYR A  26
TYR A  75
TYR A  72
 None
 1.40A 4a7aA-2ohcA:
undetectable		 4a7aA-2ohcA:
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.
2vl6 MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 LEU A  37
ILE A  93
ILE A  82
TYR A  79
TYR A 138
 None
 1.11A 4a7aA-2vl6A:
undetectable		 4a7aA-2vl6A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Escherichia
coli) 		PF01370
(Epimerase) 		5 TYR A 103
LEU A  19
ILE A   2
PHE A  66
TYR A  96
 None
None
None
None
NAP  A 400 (-3.1A)
 1.41A 4a7aA-2x86A:
2.9		 4a7aA-2x86A:
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.
2xhf PEROXIREDOXIN 5

(Alvinella
pompejana) 		PF08534
(Redoxin) 		5 TYR A 160
LEU A  90
CYH A 183
ILE A 104
ILE A  86
 None
 1.39A 4a7aA-2xhfA:
undetectable		 4a7aA-2xhfA:
15.77
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.
2xko GLOBAL NITROGEN
REGULATOR

(Synechococcus
elongatus) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A 148
LEU A 155
CYH A 156
ILE A 209
ILE A 178
 None
 0.80A 4a7aA-2xkoA:
undetectable		 4a7aA-2xkoA:
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 LEU A  18
ILE A   5
TYR A  73
PHE A 114
TYR A 170
 None
 1.44A 4a7aA-2yy7A:
3.0		 4a7aA-2yy7A:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		6 TYR A  69
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 FAD  A 600 (-4.2A)
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.21A 4a7aA-2z5xA:
61.7		 4a7aA-2z5xA:
72.53
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 LEU A 165
LEU A 172
CYH A 173
ILE A 207
ILE A 156
 None
 0.92A 4a7aA-2z87A:
undetectable		 4a7aA-2z87A:
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 LEU A 402
ILE A  56
ILE A 413
PHE A 359
TYR A 384
 None
 1.31A 4a7aA-3bs8A:
undetectable		 4a7aA-3bs8A:
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 LEU A 617
LEU A 569
ILE A 577
ILE A 591
PHE A 537
 None
 1.14A 4a7aA-3ciyA:
undetectable		 4a7aA-3ciyA:
22.76
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 TYR A 714
LEU A 316
ILE A 283
ILE A 339
TYR A 626
 None
 1.28A 4a7aA-3eqnA:
undetectable		 4a7aA-3eqnA:
19.41
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa) 		5 LEU 4 126
LEU 4 133
ILE 4 201
TYR 4 204
PHE 4 208
 None
 1.44A 4a7aA-3i9v4:
undetectable		 4a7aA-3i9v4:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 5

(Homo sapiens) 		PF00443
(UCH)
PF00627
(UBA)
PF02148
(zf-UBP) 		5 TYR A 568
LEU A 533
ILE A 571
ILE A 599
TYR A 778
 None
 1.23A 4a7aA-3ihpA:
undetectable		 4a7aA-3ihpA:
19.95
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.
3kcn ADENYLATE CYCLASE
HOMOLOG

(Rhodopirellula
baltica) 		PF00072
(Response_reg) 		5 LEU A  11
LEU A  82
ILE A 115
ILE A   9
PHE A 103
 None
 0.87A 4a7aA-3kcnA:
undetectable		 4a7aA-3kcnA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 275
LEU A 268
ILE A 387
PHE A 254
TYR A 337
 None
 1.44A 4a7aA-3l01A:
undetectable		 4a7aA-3l01A:
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.
3la2 GLOBAL NITROGEN
REGULATOR

(Nostoc sp. PCC
7120) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A 149
LEU A 156
CYH A 157
ILE A 210
ILE A 179
 None
 0.87A 4a7aA-3la2A:
undetectable		 4a7aA-3la2A:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 TYR A 208
LEU A 145
GLN A 180
ILE A 129
TYR A  59
 None
 1.28A 4a7aA-3n2tA:
undetectable		 4a7aA-3n2tA:
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 157
ILE A 175
GLN A 182
ILE A 189
TYR A 146
 None
 1.46A 4a7aA-3noyA:
undetectable		 4a7aA-3noyA:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 LEU A 154
LEU A 169
ILE A 171
ILE A 167
PHE A 317
 None
 1.28A 4a7aA-3rhaA:
48.5		 4a7aA-3rhaA:
30.84
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 LEU A 513
LEU A 465
ILE A 406
PHE A 449
TYR A 379
 None
 1.19A 4a7aA-3rm5A:
undetectable		 4a7aA-3rm5A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 158
LEU A 214
GLN A 154
ILE A 151
TYR A 199
 GCO  A 601 (-4.4A)
None
None
None
None
 1.49A 4a7aA-3t6cA:
undetectable		 4a7aA-3t6cA:
21.10
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.
3tco THIOREDOXIN (TRXA-1)

(Sulfolobus
solfataricus) 		PF00085
(Thioredoxin) 		5 LEU A  33
LEU A 104
ILE A  42
ILE A  91
TYR A  95
 None
 1.25A 4a7aA-3tcoA:
undetectable		 4a7aA-3tcoA:
12.09
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 160
LEU A 202
GLN A 150
ILE A 147
TYR A 187
 GOL  A 406 (-4.8A)
None
None
None
None
 1.36A 4a7aA-3thuA:
undetectable		 4a7aA-3thuA:
20.89
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 160
LEU A 202
GLN A 150
ILE A 147
TYR A 187
 None
 1.36A 4a7aA-3vcnA:
undetectable		 4a7aA-3vcnA:
22.08
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 LEU A 415
LEU A 404
ILE A 381
ILE A 445
TYR A 359
 None
 1.26A 4a7aA-3vi1A:
undetectable		 4a7aA-3vi1A:
22.54
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 LEU A  99
LEU A 147
ILE A 184
ILE A 103
PHE A  70
 None
 1.48A 4a7aA-3wrcA:
undetectable		 4a7aA-3wrcA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		9 TYR A  60
LEU A 164
LEU A 171
CYH A 172
GLN A 206
ILE A 316
PHE A 343
TYR A 398
TYR A 435
 FAD  A 600 (-4.4A)
None
MBT  A 601 (-4.2A)
None
MBT  A 601 (-3.4A)
MBT  A 601 (-4.6A)
MBT  A 601 (-4.7A)
MBT  A 601 ( 3.6A)
MBT  A 601 ( 4.6A)
 0.20A 4a7aA-3zyxA:
65.3		 4a7aA-3zyxA:
99.61
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.
4bwc PHOSPHOLIPASE B-LIKE
1

(Bos taurus) 		PF04916
(Phospholip_B) 		5 TYR B 352
LEU A 118
GLN B 298
ILE A 196
TYR B 288
 None
None
OCS  B 225 ( 4.9A)
None
None
 1.37A 4a7aA-4bwcB:
undetectable		 4a7aA-4bwcB:
18.49
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.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A  81
LEU A  88
ILE A 116
ILE A  41
PHE A  68
 None
 1.27A 4a7aA-4cjxA:
undetectable		 4a7aA-4cjxA:
20.85
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.
4m1n UBIQUITIN
CONJUGATING ENZYME
UBC9

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		5 LEU A  60
LEU A 120
ILE A  86
ILE A 116
TYR A 144
 None
 1.29A 4a7aA-4m1nA:
undetectable		 4a7aA-4m1nA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		5 TYR A  64
LEU A 604
LEU A  74
PHE A  52
TYR A 117
 None
 1.23A 4a7aA-4obsA:
undetectable		 4a7aA-4obsA:
22.04
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 LEU A 449
LEU A 462
ILE A 464
ILE A 414
TYR A 504
 None
 1.29A 4a7aA-4q85A:
undetectable		 4a7aA-4q85A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2730
LEU A2710
GLN A2716
ILE A2726
PHE A2677
 None
 1.46A 4a7aA-4rh7A:
undetectable		 4a7aA-4rh7A:
9.42
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1058
LEU A1051
ILE A1170
PHE A1037
TYR A1120
 None
 1.40A 4a7aA-4s0vA:
undetectable		 4a7aA-4s0vA:
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.
4xvm DNA POLYMERASE NU

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 LEU A 842
ILE A 631
PHE A 654
TYR A 682
TYR A 686
 None
 1.38A 4a7aA-4xvmA:
undetectable		 4a7aA-4xvmA:
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.
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B

(Homo sapiens) 		PF00229
(TNF) 		5 LEU A 186
ILE A 203
ILE A 193
PHE A 286
TYR A 405
 None
 1.41A 4a7aA-4zchA:
undetectable		 4a7aA-4zchA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 112
ILE A  63
GLN A  84
PHE A  81
TYR A 489
 GOL  A 505 (-4.6A)
None
None
None
None
 1.44A 4a7aA-5ehfA:
undetectable		 4a7aA-5ehfA:
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.
5h7j ELONGATION FACTOR 2

(Pyrococcus
horikoshii) 		no annotation 5 LEU A  95
LEU A 259
ILE A 115
ILE A 119
TYR A 268
 None
 1.18A 4a7aA-5h7jA:
undetectable		 4a7aA-5h7jA:
9.42
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 5 TYR A 225
LEU A 187
ILE A 123
ILE A 160
PHE A 208
 None
 1.43A 4a7aA-5hssA:
undetectable		 4a7aA-5hssA:
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.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 LEU A  94
LEU A  56
ILE A  77
ILE A  91
PHE A  86
 None
 1.40A 4a7aA-5k0wA:
undetectable		 4a7aA-5k0wA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 LEU A  80
ILE A  24
ILE A  84
PHE A  98
TYR A 131
 None
 1.30A 4a7aA-5l6sA:
undetectable		 4a7aA-5l6sA:
23.02
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.
5nkm PROTEIN SMG-8

(Caenorhabditis
elegans) 		PF10220
(Smg8_Smg9) 		5 LEU E  45
LEU E 295
ILE E  72
ILE E  41
PHE E 294
 None
None
EDO  E 501 ( 4.9A)
None
None
 1.20A 4a7aA-5nkmE:
undetectable		 4a7aA-5nkmE:
20.98
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.
5ns8 -

(-) 		no annotation 5 LEU A 333
LEU A 376
ILE A 347
TYR A 392
TYR A 431
 None
 1.31A 4a7aA-5ns8A:
undetectable		 4a7aA-5ns8A:
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 ILE B 432
GLN B 347
ILE B 417
PHE B 357
TYR B 339
 None
 1.23A 4a7aA-5of4B:
undetectable		 4a7aA-5of4B:
22.58
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.
5szm PCDHGA8 OR
PROTOCADHERIN GAMMA
A8

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 LEU A  23
LEU A  55
ILE A   2
ILE A  79
PHE A  46
 None
 1.22A 4a7aA-5szmA:
undetectable		 4a7aA-5szmA:
21.73
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1058
LEU A1051
ILE A1170
PHE A1037
TYR A1120
 None
 1.42A 4a7aA-5u09A:
undetectable		 4a7aA-5u09A:
21.79
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 5 TYR D 448
LEU E 494
LEU E 487
ILE E 508
PHE E 515
 None
 1.42A 4a7aA-5uz5D:
undetectable		 4a7aA-5uz5D:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C 712
LEU C 683
ILE C 687
ILE C 669
TYR C 900
 None
 1.27A 4a7aA-5x6oC:
undetectable		 4a7aA-5x6oC:
9.09