SIMILAR PATTERNS OF AMINO ACIDS FOR 1P33_B_MTXB352

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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 153
TYR A 146
LEU A 160
LEU A 350
PRO A 351
 None
 1.44A 1p33B-1gngA:
0.0		 1p33B-1gngA:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 705
TYR A 665
LEU A 685
LEU A 674
MET A 759
 None
 1.29A 1p33B-1h17A:
0.0		 1p33B-1h17A:
17.79
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		5 SER A 108
PHE A 104
LEU A  86
LEU A  70
MET A  98
 None
 1.38A 1p33B-1htwA:
0.3		 1p33B-1htwA:
19.66
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ASP A 422
LEU A 426
LEU A 408
PRO A 353
TYR A 399
 None
 1.49A 1p33B-1mb9A:
0.0		 1p33B-1mb9A:
20.99
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
 0.45A 1p33B-1mxfA:
41.0		 1p33B-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
 0.65A 1p33B-1mxfA:
41.0		 1p33B-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.
1oq1 PROTEIN YESU

(Bacillus
subtilis) 		PF09224
(DUF1961) 		5 SER A 156
PHE A  66
TYR A 116
LEU A  39
LEU A  37
 None
 1.42A 1p33B-1oq1A:
0.0		 1p33B-1oq1A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osm OMPK36

(Klebsiella
pneumoniae) 		PF00267
(Porin_1) 		5 SER A 131
ASP A 113
LEU A 276
LEU A 292
TYR A 294
 None
 1.35A 1p33B-1osmA:
0.0		 1p33B-1osmA:
23.12
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.
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
 1.36A 1p33B-1p74A:
7.0		 1p33B-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.
1qgc PROTEIN (GH-LOOP
FROM VIRUS CAPSID
PROTEIN VP1)
PROTEIN (VIRUS
CAPSID PROTEIN VP1)
PROTEIN (VIRUS
CAPSID PROTEIN VP3)

(Foot-and-mouth
disease virus) 		PF00073
(Rhv)
no annotation 		5 SER 3 163
TYR 3 169
LEU 1 126
LEU 5 155
PRO 5 156
 None
 1.40A 1p33B-1qgc3:
undetectable		 1p33B-1qgc3:
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 ASP A 236
LEU A 177
LEU A 105
PRO A 107
TYR A 306
 None
 1.47A 1p33B-1v5bA:
undetectable		 1p33B-1v5bA:
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.
1xkp CHAPERONE PROTEIN
SYCN
CHAPERONE PROTEIN
YSCB

(Yersinia pestis) 		PF05932
(CesT)
no annotation 		5 ARG C  96
SER C  41
LEU B 105
LEU B  80
PRO B  79
 None
 1.28A 1p33B-1xkpC:
undetectable		 1p33B-1xkpC:
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.
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
 1.35A 1p33B-1y97A:
undetectable		 1p33B-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.
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
 1.15A 1p33B-1zuwA:
2.9		 1p33B-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.
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
 1.25A 1p33B-2ejwA:
undetectable		 1p33B-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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 PHE A 271
ASP A 269
TYR A 178
LEU A 298
LEU A 278
 None
 1.43A 1p33B-2ewnA:
undetectable		 1p33B-2ewnA:
26.09
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.
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
 1.26A 1p33B-2gidB:
undetectable		 1p33B-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
 1.47A 1p33B-2h36X:
undetectable		 1p33B-2h36X:
16.60
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
 0.43A 1p33B-2qhxA:
44.2		 1p33B-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.
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
 1.38A 1p33B-2xpiA:
undetectable		 1p33B-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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 TYR A 308
LEU A 249
LEU A  54
PRO A  50
TYR A 290
 None
 1.32A 1p33B-2zc0A:
undetectable		 1p33B-2zc0A:
21.77
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.
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
 1.32A 1p33B-3alfA:
2.1		 1p33B-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
 1.35A 1p33B-3bwnA:
undetectable		 1p33B-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
 1.40A 1p33B-3e9lA:
undetectable		 1p33B-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.
3h4r EXODEOXYRIBONUCLEASE
8

(Escherichia
coli) 		PF12684
(DUF3799) 		5 ASP A 846
LEU A 843
LEU A 630
PRO A 626
TYR A 629
 None
 1.41A 1p33B-3h4rA:
undetectable		 1p33B-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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		5 SER A 183
PHE A 187
TYR A 229
LEU A  85
LEU A 193
 None
 1.43A 1p33B-3hsiA:
undetectable		 1p33B-3hsiA:
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.
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
 1.44A 1p33B-3hzuA:
undetectable		 1p33B-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.
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
 1.42A 1p33B-3k28A:
undetectable		 1p33B-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
 1.16A 1p33B-3k8kA:
undetectable		 1p33B-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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 SER A  51
PHE A  39
LEU A  57
LEU A  14
LEU A 202
 None
 1.46A 1p33B-3ka7A:
undetectable		 1p33B-3ka7A:
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.
3lhn LIPOPROTEIN

(Shewanella
oneidensis) 		PF04170
(NlpE) 		5 LEU A  61
TYR A  87
LEU A  73
LEU A 112
TYR A 118
 None
 1.43A 1p33B-3lhnA:
undetectable		 1p33B-3lhnA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A 191
PHE A 175
LEU A 289
LEU A 297
TYR A 263
 None
 1.42A 1p33B-3tl2A:
9.9		 1p33B-3tl2A:
23.60
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.
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
 1.49A 1p33B-3u1hA:
undetectable		 1p33B-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
 1.50A 1p33B-3u44B:
undetectable		 1p33B-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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 LEU A 123
TYR A 119
LEU A  85
LEU A 471
TYR A  93
 None
 1.35A 1p33B-3u5uA:
2.0		 1p33B-3u5uA:
21.47
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.
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
 1.39A 1p33B-3vpyA:
undetectable		 1p33B-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.
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
 1.37A 1p33B-4dx8H:
undetectable		 1p33B-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.
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
 1.42A 1p33B-4j3bA:
undetectable		 1p33B-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.
4lmw GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		5 SER A 209
PHE A 211
LEU A 177
LEU A 184
LEU A 193
 None
 1.48A 1p33B-4lmwA:
undetectable		 1p33B-4lmwA:
22.00
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
 1.31A 1p33B-4n6bA:
undetectable		 1p33B-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
 1.36A 1p33B-4nwoA:
undetectable		 1p33B-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
 1.49A 1p33B-4q6pA:
undetectable		 1p33B-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
 1.47A 1p33B-4qlbA:
2.4		 1p33B-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.
4r6k SOLUTE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF13416
(SBP_bac_8) 		5 PHE A 212
LEU A 374
LEU A 185
LEU A 207
TYR A 202
 None
 1.08A 1p33B-4r6kA:
undetectable		 1p33B-4r6kA:
20.23
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.
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
 1.38A 1p33B-4rkcA:
undetectable		 1p33B-4rkcA:
22.69
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.
4s3n 2'-5'-OLIGOADENYLATE
SYNTHASE 3

(Homo sapiens) 		PF10421
(OAS1_C) 		5 ARG A 331
PHE A 329
LEU A 256
LEU A 202
LEU A 248
 None
 1.49A 1p33B-4s3nA:
undetectable		 1p33B-4s3nA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		5 SER A  60
PHE A  61
LEU A 346
TYR A  86
LEU A 321
 None
 1.37A 1p33B-4ug4A:
undetectable		 1p33B-4ug4A:
19.92
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
 0.46A 1p33B-4wcdA:
41.6		 1p33B-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.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A 573
LEU A 459
TYR A 574
LEU A 549
PRO A 545
 None
 1.50A 1p33B-4wkyA:
undetectable		 1p33B-4wkyA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.42A 1p33B-4yn5A:
2.2		 1p33B-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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		5 ARG A1124
TYR A1185
LEU A1557
LEU A1551
TYR A1614
 None
 1.46A 1p33B-4ziuA:
undetectable		 1p33B-4ziuA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		5 PHE A 101
LEU A  74
TYR A  90
LEU A  27
MET A 109
 None
None
None
BCR  A 201 (-3.8A)
BCR  A 201 (-2.8A)
 1.42A 1p33B-5fcyA:
undetectable		 1p33B-5fcyA:
21.88
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.
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)
 1.33A 1p33B-5hfiA:
undetectable		 1p33B-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.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		5 SER A 451
LEU A 468
LEU A 514
LEU A 515
PRO A 523
 None
 1.43A 1p33B-5kztA:
undetectable		 1p33B-5kztA:
20.23
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.
5lfn CHONDROADHERIN

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 PHE A  95
LEU A  66
LEU A  58
LEU A  56
MET A  74
 None
 1.28A 1p33B-5lfnA:
undetectable		 1p33B-5lfnA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 ARG A 263
LEU A 441
LEU A 355
LEU A 429
PRO A 425
 None
 1.48A 1p33B-5lh9A:
undetectable		 1p33B-5lh9A:
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ARG A  18
LEU A 388
TYR A 387
LEU A 404
LEU A 276
 None
 1.40A 1p33B-5medA:
undetectable		 1p33B-5medA:
17.12
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.
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
 1.40A 1p33B-5oshA:
undetectable		 1p33B-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
 0.42A 1p33B-5tgdA:
31.0		 1p33B-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.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 ARG A 299
SER A 325
TYR A 268
LEU A 285
LEU A 277
 None
UDP  A 503 (-3.1A)
None
None
None
 1.44A 1p33B-5u6sA:
2.7		 1p33B-5u6sA:
21.32
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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ARG A 266
PHE A 299
TYR A 327
TYR A 131
MET A 183
 LLP  A 184 ( 4.7A)
None
LLP  A 184 ( 4.3A)
None
None
 1.37A 1p33B-5uidA:
undetectable		 1p33B-5uidA:
22.49
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.
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
 1.44A 1p33B-5w94A:
undetectable		 1p33B-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
 1.23A 1p33B-5wi9A:
2.2		 1p33B-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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 ARG A 498
PHE A 414
LEU A 384
LEU A 496
MET A 478
 None
 1.43A 1p33B-5zlnA:
undetectable		 1p33B-5zlnA:
15.67
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.
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
 1.49A 1p33B-6bf6A:
undetectable		 1p33B-6bf6A:
13.36