SIMILAR PATTERNS OF AMINO ACIDS FOR 1P33_A_MTXA351

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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 126
LEU A 375
LEU A 301
LEU A 356
MET A 282
 None
 1.42A 1p33A-1htqA:
undetectable		 1p33A-1htqA:
20.04
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 LEU A 120
TYR A 116
LEU A  82
LEU A 454
TYR A  90
 None
 1.39A 1p33A-1hxjA:
3.0		 1p33A-1hxjA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 LEU A 130
TYR A 126
LEU A 108
LEU A 119
MET A 142
 None
 1.36A 1p33A-1jftA:
7.0		 1p33A-1jftA:
24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		9 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 217
PRO A 218
MET A 221
TYR A 229
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
 0.48A 1p33A-1mxfA:
41.3		 1p33A-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		9 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 214
LEU A 217
PRO A 218
MET A 221
TYR A 229
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
 0.66A 1p33A-1mxfA:
41.3		 1p33A-1mxfA:
49.83
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.
1p74 SHIKIMATE
5-DEHYDROGENASE

(Haemophilus
influenzae) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 PHE A 260
TYR A 264
LEU A 106
LEU A 110
TYR A 211
 None
 1.41A 1p33A-1p74A:
6.9		 1p33A-1p74A:
23.84
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		5 LEU A 104
TYR A 100
LEU A  68
LEU A 404
TYR A  76
 None
 1.22A 1p33A-1qoxA:
undetectable		 1p33A-1qoxA:
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.
1rcd L FERRITIN

(Rana
catesbeiana) 		PF00210
(Ferritin) 		5 PHE A 128
LEU A  65
TYR A  68
LEU A 110
LEU A 134
 None
 1.48A 1p33A-1rcdA:
undetectable		 1p33A-1rcdA:
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.
1rcd L FERRITIN

(Rana
catesbeiana) 		PF00210
(Ferritin) 		5 PHE A 128
LEU A  65
TYR A  68
LEU A 110
PRO A 132
 None
 1.24A 1p33A-1rcdA:
undetectable		 1p33A-1rcdA:
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.
1y97 THREE PRIME REPAIR
EXONUCLEASE 2

(Homo sapiens) 		no annotation 5 ASP A 155
LEU A 175
TYR A 170
LEU A 208
LEU A 145
 None
 1.31A 1p33A-1y97A:
undetectable		 1p33A-1y97A:
25.39
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 SER A 145
PHE A 149
LEU A  79
LEU A 160
TYR A  24
 None
 1.27A 1p33A-1zl9A:
undetectable		 1p33A-1zl9A:
19.19
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 SER A 208
LEU A 148
LEU A 143
LEU A 173
MET A 199
 None
 1.19A 1p33A-1zuwA:
3.5		 1p33A-1zuwA:
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.
2ayx SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF00072
(Response_reg)
PF09456
(RcsC) 		5 SER A 946
ASP A 870
TYR A 939
LEU A 864
LEU A 895
 None
 1.46A 1p33A-2ayxA:
5.4		 1p33A-2ayxA:
22.85
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 SER A1382
LEU A1442
PRO A1412
MET A1433
TYR A1431
 None
 1.50A 1p33A-2b39A:
undetectable		 1p33A-2b39A:
10.62
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 PHE A  38
TYR A  19
LEU A 302
LEU A  29
PRO A  36
 None
 1.28A 1p33A-2ejwA:
8.9		 1p33A-2ejwA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gid MITOCHONDRIAL
RNA-BINDING PROTEIN
1

(Trypanosoma
brucei) 		PF09387
(MRP) 		5 PHE B 118
LEU B 154
TYR B 125
LEU B  56
LEU B  93
 None
 1.33A 1p33A-2gidB:
undetectable		 1p33A-2gidB:
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.
2h36 HYPOTHETICAL PROTEIN
SIFV0014

(Sulfolobus
islandicus
filamentous
virus) 		PF07118
(DUF1374) 		5 PHE X  30
LEU X  87
TYR X  77
TYR X  85
LEU X  22
 None
 1.45A 1p33A-2h36X:
undetectable		 1p33A-2h36X:
16.60
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 195
PHE A 194
LEU A 118
LEU A 158
LEU A 155
 None
 1.31A 1p33A-2irwA:
24.5		 1p33A-2irwA:
23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		9 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
None
 0.46A 1p33A-2qhxA:
44.4		 1p33A-2qhxA:
71.04
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.
2sas SARCOPLASMIC
CALCIUM-BINDING
PROTEIN

(Branchiostoma
lanceolatum) 		PF13833
(EF-hand_8) 		5 LEU A  18
LEU A 169
LEU A  99
PRO A 100
TYR A 165
 None
 1.30A 1p33A-2sasA:
undetectable		 1p33A-2sasA:
17.99
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9

(Schizosaccharomyces
pombe) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		5 ASP A 267
TYR A 260
TYR A 263
LEU A 295
LEU A 277
 None
 1.45A 1p33A-2xpiA:
undetectable		 1p33A-2xpiA:
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.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 SER A 116
PHE A 115
TYR A 294
LEU A  95
LEU A 110
 None
 1.47A 1p33A-2zviA:
undetectable		 1p33A-2zviA:
21.16
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		5 PHE A  74
LEU A 329
TYR A  73
LEU A 345
LEU A 348
 None
 1.37A 1p33A-3ahrA:
undetectable		 1p33A-3ahrA:
21.01
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 SER A  93
PHE A  94
TYR A  81
LEU A 130
LEU A 151
 None
 1.25A 1p33A-3alfA:
3.4		 1p33A-3alfA:
22.16
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.
3bwn L-TRYPTOPHAN
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF04864
(Alliinase_C) 		5 PHE A 279
TYR A  35
TYR A  38
LEU A 263
LEU A  80
 None
 1.39A 1p33A-3bwnA:
undetectable		 1p33A-3bwnA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9l PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		5 SER A1928
PHE A1772
TYR A1930
LEU A1891
PRO A1812
 CL  A2018 ( 4.8A)
None
None
None
None
 1.37A 1p33A-3e9lA:
undetectable		 1p33A-3e9lA:
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 PHE A 224
ASP A 330
TYR A 225
LEU A 325
PRO A 157
 None
 1.34A 1p33A-3g7uA:
8.9		 1p33A-3g7uA:
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.
3h4r EXODEOXYRIBONUCLEASE
8

(Escherichia
coli) 		PF12684
(DUF3799) 		5 ASP A 846
LEU A 843
LEU A 630
PRO A 626
TYR A 629
 None
 1.47A 1p33A-3h4rA:
undetectable		 1p33A-3h4rA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhg TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 ARG A 118
PHE A 285
LEU A 144
LEU A 293
LEU A 111
 None
 1.39A 1p33A-3hhgA:
undetectable		 1p33A-3hhgA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 PHE A 612
LEU A1012
TYR A1013
TYR A 616
MET A 641
 None
 1.50A 1p33A-3ho8A:
4.3		 1p33A-3ho8A:
13.57
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.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 SER A 252
PHE A 256
LEU A  20
LEU A 228
LEU A 262
 None
 1.47A 1p33A-3hzuA:
undetectable		 1p33A-3hzuA:
21.35
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.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 SER A 144
ASP A 149
LEU A 184
LEU A 173
TYR A 177
 PO4  A 472 (-3.3A)
None
None
None
None
 1.30A 1p33A-3i6dA:
4.4		 1p33A-3i6dA:
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.36A 1p33A-3k28A:
3.0		 1p33A-3k28A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 PHE A 405
TYR A 367
TYR A 355
LEU A 387
LEU A 446
 None
 1.22A 1p33A-3k8kA:
undetectable		 1p33A-3k8kA:
17.46
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 234
TYR A 185
LEU A 259
LEU A 242
PRO A 239
 None
 1.50A 1p33A-3s9vA:
undetectable		 1p33A-3s9vA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1h 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus sp.
(in: Bacteria)) 		PF00180
(Iso_dh) 		5 ASP A 236
LEU A 177
LEU A 105
PRO A 107
TYR A 306
 None
 1.50A 1p33A-3u1hA:
2.6		 1p33A-3u1hA:
24.37
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 LEU B 334
TYR B 340
LEU B 665
PRO B 661
TYR B 666
 None
 1.45A 1p33A-3u44B:
3.4		 1p33A-3u44B:
12.33
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A 131
TYR A 127
LEU A  94
LEU A 446
TYR A 102
 None
 1.39A 1p33A-3vilA:
2.1		 1p33A-3vilA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpy FHA
DOMAIN-CONTAINING
PROTEIN DDL

(Arabidopsis
thaliana) 		PF00498
(FHA) 		5 SER A 122
PHE A 119
TYR A 126
LEU A  41
LEU A  90
 None
 1.34A 1p33A-3vpyA:
undetectable		 1p33A-3vpyA:
18.71
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.
3zrh UBIQUITIN
THIOESTERASE ZRANB1

(Homo sapiens) 		PF02338
(OTU) 		5 PHE A 399
LEU A 383
TYR A 433
LEU A 684
LEU A 390
 None
 1.44A 1p33A-3zrhA:
undetectable		 1p33A-3zrhA:
22.83
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.
4dx8 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF16705
(NUDIX_5) 		5 SER H 115
LEU H 135
LEU H  53
LEU H 110
MET H  94
 None
 1.42A 1p33A-4dx8H:
undetectable		 1p33A-4dx8H:
22.61
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		5 SER A 870
PHE A 831
LEU A 905
LEU A 880
LEU A 879
 None
 1.37A 1p33A-4f1nA:
undetectable		 1p33A-4f1nA:
15.02
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 PHE A 440
LEU A 528
TYR A 439
LEU A 521
MET A 624
 None
 1.44A 1p33A-4j3bA:
undetectable		 1p33A-4j3bA:
17.06
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 PHE A  40
LEU A  29
LEU A 102
LEU A  48
PRO A  45
 None
 1.50A 1p33A-4jotA:
undetectable		 1p33A-4jotA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 SER A  83
PHE A  82
LEU A  60
LEU A 113
LEU A  96
 None
 1.30A 1p33A-4n6bA:
undetectable		 1p33A-4n6bA:
24.84
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.
4nwo MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
MOGA

(Shewanella
oneidensis) 		PF00994
(MoCF_biosynth) 		5 ARG A 173
LEU A 143
LEU A  36
LEU A 162
PRO A 151
 None
 1.49A 1p33A-4nwoA:
2.1		 1p33A-4nwoA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 SER A 308
LEU A 412
LEU A 434
PRO A 279
MET A 432
 None
 1.41A 1p33A-4q6pA:
2.7		 1p33A-4q6pA:
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 PHE A 352
ASP A 475
TYR A 390
TYR A 350
LEU A 481
 None
 1.39A 1p33A-4qlbA:
4.5		 1p33A-4qlbA:
19.17
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		5 LEU A 341
TYR A 340
LEU A 380
LEU A  31
MET A 369
 None
 1.34A 1p33A-4rkcA:
4.0		 1p33A-4rkcA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		8 ARG A  14
SER A  95
PHE A  97
ASP A 161
TYR A 174
LEU A 209
PRO A 210
MET A 213
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
 0.45A 1p33A-4wcdA:
41.7		 1p33A-4wcdA:
50.52
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 PHE A 280
LEU A 322
LEU A 304
LEU A 286
PRO A 283
 None
 1.19A 1p33A-4yj1A:
undetectable		 1p33A-4yj1A:
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.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		5 ASP A 275
LEU A 269
LEU A 265
MET A 307
TYR A 268
 None
 1.48A 1p33A-4yn5A:
2.2		 1p33A-4yn5A:
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.
5e66 HEMAGGLUTININ-ESTERA
SE

(Influenza D
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 SER A 281
PHE A 138
TYR A 139
LEU A 154
TYR A 103
 None
 1.48A 1p33A-5e66A:
2.6		 1p33A-5e66A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		5 PHE B 116
LEU B 108
LEU B 216
LEU B 130
MET B 131
 None
 1.35A 1p33A-5eviB:
undetectable		 1p33A-5eviB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 SER A 112
LEU A  39
LEU A 104
LEU A 119
PRO A 116
 None
 1.48A 1p33A-5gr8A:
undetectable		 1p33A-5gr8A:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 PHE A 206
LEU A 191
TYR A 196
LEU A  33
LEU A 211
 PHE  A 206 ( 1.3A)
LEU  A 191 ( 0.6A)
TYR  A 196 ( 1.3A)
LEU  A  33 ( 0.6A)
LEU  A 211 ( 0.6A)
 1.34A 1p33A-5hfiA:
undetectable		 1p33A-5hfiA:
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 ARG A 213
PHE A 223
LEU A  53
LEU A  13
LEU A 220
 None
 0.99A 1p33A-5nuxA:
undetectable		 1p33A-5nuxA:
15.22
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.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 5 PHE A 150
TYR A 165
LEU A  52
LEU A  49
TYR A  48
 None
 1.50A 1p33A-5oshA:
undetectable		 1p33A-5oshA:
14.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 ARG A  31
SER A 105
PHE A 107
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.44A 1p33A-5tgdA:
31.2		 1p33A-5tgdA:
31.51
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		5 SER A 494
PHE A 495
LEU A 391
LEU A 616
LEU A 745
 None
 1.32A 1p33A-5tj7A:
undetectable		 1p33A-5tj7A:
18.04
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.
5uf1 O13

(Petromyzon
marinus) 		no annotation 5 PHE B 141
LEU B 126
LEU B 133
LEU B 157
PRO B 161
 None
 1.48A 1p33A-5uf1B:
undetectable		 1p33A-5uf1B:
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.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 5 SER A 198
TYR A 255
LEU A 193
MET A 166
TYR A 190
 None
BLA  A 900 (-3.7A)
None
BLA  A 900 (-3.4A)
BLA  A 900 (-4.4A)
 1.45A 1p33A-5uyrA:
undetectable		 1p33A-5uyrA:
14.88
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 SER C 235
PHE C 203
LEU C 150
LEU C 185
LEU C 222
 None
 1.37A 1p33A-5v8fC:
undetectable		 1p33A-5v8fC:
19.19
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG
SISTER CHROMATID
COHESION PROTEIN 2

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load)
no annotation 		5 ASP A 249
LEU B  26
TYR B  25
LEU A 476
LEU A 471
 None
 1.42A 1p33A-5w94A:
undetectable		 1p33A-5w94A:
18.24
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.
5wi9 -

(-) 		no annotation 5 LEU A 178
TYR A 174
LEU A 141
LEU A 462
TYR A 149
 None
 1.19A 1p33A-5wi9A:
2.2		 1p33A-5wi9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 PHE A  39
LEU A  66
TYR A  63
LEU A 106
PRO A  36
 None
 1.39A 1p33A-5wmmA:
3.6		 1p33A-5wmmA:
15.49
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 SER A 276
PHE A 275
LEU A 162
LEU A 267
LEU A  77
 None
 1.47A 1p33A-6bf6A:
undetectable		 1p33A-6bf6A:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f71 GLUTATHIONE
TRANSFERASE

(Trametes
versicolor) 		no annotation 5 PHE A 113
ASP A 165
LEU A 149
LEU A 172
LEU A 121
 None
 1.26A 1p33A-6f71A:
undetectable		 1p33A-6f71A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 PHE g 168
LEU g 138
TYR g 167
LEU g 213
LEU g 120
 None
 1.39A 1p33A-6fkhg:
3.0		 1p33A-6fkhg:
16.41