SIMILAR PATTERNS OF AMINO ACIDS FOR 2A1N_A_CAMA1422_0

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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 THR A 237
GLY A 256
THR A 259
VAL A 291
VAL A 262
 None
 1.29A 2a1nA-1bheA:
undetectable		 2a1nA-1bheA:
21.09
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 THR A 188
THR A 243
LEU A 206
GLY A 273
VAL A 312
 None
 1.05A 2a1nA-1e8tA:
undetectable		 2a1nA-1e8tA:
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 296
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.16A 2a1nA-1gsoA:
0.0		 2a1nA-1gsoA:
25.85
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.
1hu3 EIF4GII

(Homo sapiens) 		PF02854
(MIF4G) 		5 THR A 751
VAL A 791
GLY A 790
VAL A 821
ASP A 783
 None
 1.23A 2a1nA-1hu3A:
0.0		 2a1nA-1hu3A:
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		6 TYR A1181
LEU A1103
VAL A1063
GLY A 997
THR A1161
VAL A1157
 None
 1.41A 2a1nA-1k7yA:
undetectable		 2a1nA-1k7yA:
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		6 TYR A1181
LEU A1103
VAL A1063
GLY A 997
THR A1161
VAL A1157
 None
 1.37A 2a1nA-1mskA:
undetectable		 2a1nA-1mskA:
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 GLY A 255
THR A 269
VAL A 235
ASP A 241
VAL A 252
 None
None
None
CA  A 903 ( 4.3A)
None
 1.21A 2a1nA-1nrwA:
undetectable		 2a1nA-1nrwA:
20.99
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 459
THR A 567
VAL A 612
GLY A 611
VAL A 625
 None
 1.27A 2a1nA-1s5jA:
undetectable		 2a1nA-1s5jA:
18.74
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.
1u05 ORF, CONSERVED
HYPOTHETICAL PROTEIN

(Shigella
flexneri) 		PF02578
(Cu-oxidase_4) 		5 PHE A 112
LEU A 130
VAL A 134
GLY A 133
VAL A 205
 None
 1.13A 2a1nA-1u05A:
undetectable		 2a1nA-1u05A:
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.
1u5k HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02565
(RecO_C)
PF11967
(RecO_N) 		5 THR A  29
VAL A  56
GLY A  57
VAL A  60
VAL A  71
 None
 1.03A 2a1nA-1u5kA:
undetectable		 2a1nA-1u5kA:
18.87
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.
1wkp FLOWERING LOCUS T
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		5 THR A 144
LEU A  67
VAL A  68
VAL A  14
VAL A  18
 None
 1.28A 2a1nA-1wkpA:
undetectable		 2a1nA-1wkpA:
17.59
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 THR A 131
LEU A  32
VAL A  28
GLY A 254
VAL A 204
 NMN  A1001 (-4.2A)
None
None
None
None
 0.96A 2a1nA-1y1pA:
undetectable		 2a1nA-1y1pA:
21.04
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 TYR A 117
GLY A 162
THR A  45
VAL A  51
VAL A  49
 None
 1.12A 2a1nA-1zjrA:
undetectable		 2a1nA-1zjrA:
19.29
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		5 LEU A 135
GLY A 111
THR A  85
VAL A  89
VAL A  88
 None
 1.20A 2a1nA-1zlpA:
undetectable		 2a1nA-1zlpA:
21.68
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 THR A 362
VAL A 341
GLY A 342
THR A 355
VAL A  17
 None
None
FAD  A1385 (-3.4A)
FAD  A1385 (-3.4A)
None
 1.28A 2a1nA-2bi7A:
undetectable		 2a1nA-2bi7A:
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 THR A  90
LEU A 125
VAL A 130
GLY A 128
VAL A 276
 None
None
None
ZN  A1281 ( 4.0A)
None
 1.26A 2a1nA-2ci6A:
undetectable		 2a1nA-2ci6A:
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
 None
 1.29A 2a1nA-2dfuA:
undetectable		 2a1nA-2dfuA:
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 735
VAL A 631
GLY A 630
THR A 616
VAL A 523
 None
 1.28A 2a1nA-2ecfA:
undetectable		 2a1nA-2ecfA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eel CELL DEATH ACTIVATOR
CIDE-A

(Homo sapiens) 		PF02017
(CIDE-N) 		5 LEU A  47
VAL A  48
VAL A  58
ASP A  60
VAL A  51
 None
 1.27A 2a1nA-2eelA:
undetectable		 2a1nA-2eelA:
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
 MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
 1.11A 2a1nA-2f43A:
undetectable		 2a1nA-2f43A:
22.75
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A  57
GLY A  59
VAL A 145
ASP A  70
VAL A  68
 None
 1.27A 2a1nA-2f7lA:
undetectable		 2a1nA-2f7lA:
20.95
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A  10
GLY A  11
THR A  13
ASP A  58
VAL A  56
 None
None
DIO  A 406 (-4.5A)
None
None
 1.08A 2a1nA-2hjsA:
undetectable		 2a1nA-2hjsA:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		6 PHE A  87
TYR A  96
LEU A 244
GLY A 248
THR A 252
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
None
 1.21A 2a1nA-2m56A:
68.2		 2a1nA-2m56A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		6 PHE A  87
TYR A  96
THR A 101
LEU A 244
THR A 252
VAL A 295
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
 1.45A 2a1nA-2m56A:
68.2		 2a1nA-2m56A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		11 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
GLY A 248
THR A 252
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 0.39A 2a1nA-2m56A:
68.2		 2a1nA-2m56A:
99.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 THR A 392
LEU A 270
VAL A 266
GLY A 232
VAL A 428
 THR  A 392 ( 0.8A)
LEU  A 270 ( 0.6A)
VAL  A 266 ( 0.6A)
GLY  A 232 ( 0.0A)
VAL  A 428 ( 0.6A)
 1.25A 2a1nA-2nvvA:
undetectable		 2a1nA-2nvvA:
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 TYR A 478
THR A 418
LEU A 460
VAL A 344
VAL A 391
 None
 1.29A 2a1nA-2o1xA:
undetectable		 2a1nA-2o1xA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2k METHIONINE SYNTHASE

(Homo sapiens) 		PF02965
(Met_synt_B12) 		5 TYR A1219
LEU A1141
VAL A1102
GLY A1030
THR A1199
 None
 1.27A 2a1nA-2o2kA:
undetectable		 2a1nA-2o2kA:
23.04
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 206
LEU A 218
GLY A  77
VAL A 162
VAL A 184
 None
 1.23A 2a1nA-2ogaA:
undetectable		 2a1nA-2ogaA:
21.90
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.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		5 THR A  61
LEU A  69
VAL A 105
GLY A  71
VAL A  87
 None
 1.16A 2a1nA-2prdA:
undetectable		 2a1nA-2prdA:
18.23
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 VAL A 205
GLY A 206
VAL A 109
ASP A 111
VAL A  71
 None
 0.97A 2a1nA-2q8nA:
undetectable		 2a1nA-2q8nA:
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 292
VAL J 290
GLY J 276
VAL J 393
VAL J 392
 None
 1.26A 2a1nA-2wp8J:
undetectable		 2a1nA-2wp8J:
17.86
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 362
VAL A 386
GLY A 387
VAL A 394
VAL A 392
 None
None
FAD  A 601 (-3.3A)
None
None
 1.24A 2a1nA-2wu5A:
undetectable		 2a1nA-2wu5A:
20.83
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.69A 2a1nA-2xkrA:
44.6		 2a1nA-2xkrA:
28.34
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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 LEU A  80
GLY A  84
THR A  87
VAL A  33
VAL A  52
 None
 0.90A 2a1nA-3d4uA:
undetectable		 2a1nA-3d4uA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		5 THR A 222
LEU A 230
VAL A 234
VAL A  45
VAL A  18
 None
 1.17A 2a1nA-3dltA:
undetectable		 2a1nA-3dltA:
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 LEU A 100
VAL A 280
GLY A 279
VAL A 317
VAL A 128
 None
 1.14A 2a1nA-3f11A:
undetectable		 2a1nA-3f11A:
22.57
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.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  73
THR A  12
THR A  75
VAL A 174
GLY A 152
 EDO  A 505 (-4.9A)
None
None
None
None
 1.22A 2a1nA-3h7rA:
undetectable		 2a1nA-3h7rA:
22.30
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  77
THR A  12
THR A  79
VAL A 178
GLY A 156
 None
 1.19A 2a1nA-3h7uA:
undetectable		 2a1nA-3h7uA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ia7 CALG4

(Micromonospora
echinospora) 		PF00201
(UDPGT) 		5 THR A 302
LEU A 321
VAL A 336
GLY A 342
VAL A 372
 None
 1.27A 2a1nA-3ia7A:
undetectable		 2a1nA-3ia7A:
22.79
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 VAL A  64
GLY A  65
THR A  88
VAL A  86
VAL A  97
 None
 1.20A 2a1nA-3ibrA:
undetectable		 2a1nA-3ibrA:
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 THR B 497
GLY B 428
THR B 436
VAL B  36
VAL B 440
 None
 1.28A 2a1nA-3igzB:
undetectable		 2a1nA-3igzB:
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.
3io3 DEHA2D07832P

(Debaryomyces
hansenii) 		PF02374
(ArsA_ATPase) 		5 THR A 166
VAL A  29
GLY A  30
THR A  34
VAL A 266
 GOL  A 968 ( 4.3A)
ADP  A 590 (-4.1A)
ADP  A 590 (-3.0A)
None
None
 1.28A 2a1nA-3io3A:
undetectable		 2a1nA-3io3A:
21.46
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.
3ksm ABC-TYPE SUGAR
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Hahella
chejuensis) 		PF13407
(Peripla_BP_4) 		5 PHE A 187
THR A 231
LEU A 229
GLY A 254
THR A 159
 None
 1.26A 2a1nA-3ksmA:
undetectable		 2a1nA-3ksmA:
25.19
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 LEU A 173
GLY A 177
VAL A 185
ASP A 187
VAL A 247
 None
None
None
SAH  A 346 ( 4.5A)
None
 1.18A 2a1nA-3lstA:
undetectable		 2a1nA-3lstA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ly5 ATP-DEPENDENT RNA
HELICASE DDX18

(Homo sapiens) 		PF00270
(DEAD) 		5 PHE A 233
VAL A 270
GLY A 269
ASP A 333
VAL A 306
 None
 1.17A 2a1nA-3ly5A:
undetectable		 2a1nA-3ly5A:
22.22
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.
3m16 TRANSALDOLASE

(Oleispira
antarctica) 		PF00923
(TAL_FSA) 		5 THR A 179
LEU A 162
GLY A 146
THR A 112
VAL A 116
 None
 1.27A 2a1nA-3m16A:
undetectable		 2a1nA-3m16A:
22.37
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 LEU A 192
GLY A 196
THR A 199
VAL A 144
VAL A 163
 None
 0.89A 2a1nA-3oslA:
undetectable		 2a1nA-3oslA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 THR A  56
GLY A  35
THR A  42
VAL A  44
VAL A 231
 None
 1.23A 2a1nA-3rmtA:
undetectable		 2a1nA-3rmtA:
21.82
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.
3to4 NKT VBETA2 (MOUSE
VARIABLE DOMAIN,
HUMAN CONSTANT
DOMAIN)

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR D 115
LEU D  12
GLY D 219
VAL D 158
ASP D 156
 None
 1.27A 2a1nA-3to4D:
undetectable		 2a1nA-3to4D:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zby P450 HEME-THIOLATE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 LEU A 229
GLY A 233
THR A 237
VAL A 280
VAL A 383
 HEM  A1402 ( 4.6A)
EDO  A1406 ( 3.4A)
HEM  A1402 (-3.7A)
HEM  A1402 (-4.4A)
None
 0.69A 2a1nA-3zbyA:
42.5		 2a1nA-3zbyA:
30.79
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 THR A 172
THR A 142
LEU A 167
GLY A 163
THR A  76
 None
 1.16A 2a1nA-4ad9A:
undetectable		 2a1nA-4ad9A:
22.60
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 TYR A 180
THR A 172
THR A 142
GLY A 163
THR A  76
 None
 1.14A 2a1nA-4ad9A:
undetectable		 2a1nA-4ad9A:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 THR A 187
GLY A 256
THR A 260
VAL A 302
VAL A 404
 None
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
HEM  A1418 ( 4.5A)
GOL  A1419 (-3.5A)
 1.29A 2a1nA-4c9mA:
58.9		 2a1nA-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		6 TYR A  98
THR A 103
LEU A 252
GLY A 256
THR A 260
VAL A 404
 None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.5A)
 1.13A 2a1nA-4c9mA:
58.9		 2a1nA-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		9 TYR A  98
THR A 103
THR A 187
LEU A 252
GLY A 256
THR A 260
VAL A 303
ASP A 305
VAL A 404
 None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
GOL  A1419 (-3.5A)
 0.55A 2a1nA-4c9mA:
58.9		 2a1nA-4c9mA:
44.92
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		5 THR A 593
LEU A 508
VAL A 511
THR A 515
VAL A 721
 None
 1.12A 2a1nA-4czwA:
undetectable		 2a1nA-4czwA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 PHE A  87
THR A 101
LEU A 250
GLY A 254
THR A 258
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
None
 0.94A 2a1nA-4dxyA:
51.8		 2a1nA-4dxyA:
45.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 THR A 101
THR A 185
LEU A 250
GLY A 254
THR A 258
 HEM  A 501 ( 4.8A)
None
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
 0.89A 2a1nA-4dxyA:
51.8		 2a1nA-4dxyA:
45.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 THR A 185
LEU A 250
GLY A 254
THR A 258
VAL A 402
 None
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
None
 1.19A 2a1nA-4dxyA:
51.8		 2a1nA-4dxyA:
45.88
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 PHE A 211
GLY A 285
THR A 287
VAL A   4
VAL A 150
 None
 1.30A 2a1nA-4e3aA:
undetectable		 2a1nA-4e3aA:
21.02
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 TYR A 293
THR A 437
LEU A 433
VAL A 418
VAL A 386
 None
 1.22A 2a1nA-4f0qA:
undetectable		 2a1nA-4f0qA:
22.22
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 THR A 583
THR A 310
LEU A 290
VAL A 286
VAL A 313
 None
 1.22A 2a1nA-4hhrA:
undetectable		 2a1nA-4hhrA:
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B  87
VAL B 166
 None
 0.98A 2a1nA-4hzuB:
undetectable		 2a1nA-4hzuB:
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 573
THR A 590
GLY A 440
THR A 554
VAL A 546
 None
SO4  A 904 (-4.5A)
None
None
None
 1.20A 2a1nA-4i3gA:
undetectable		 2a1nA-4i3gA:
19.59
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.
4kvs ALDEHYDE
DECARBONYLASE

(Prochlorococcus
marinus) 		PF11266
(Ald_deCOase) 		5 TYR A  30
LEU A  87
VAL A  89
GLY A  84
VAL A  41
 None
None
None
None
6NA  A 301 ( 4.2A)
 1.20A 2a1nA-4kvsA:
undetectable		 2a1nA-4kvsA:
21.12
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 LEU A  59
VAL A  91
GLY A  57
VAL A  78
VAL A  79
 None
 1.03A 2a1nA-4l7zA:
undetectable		 2a1nA-4l7zA:
24.11
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		5 THR A 147
GLY A  48
VAL A  93
ASP A 242
VAL A 244
 None
None
None
GCU  A 401 ( 2.7A)
None
 0.92A 2a1nA-4n91A:
undetectable		 2a1nA-4n91A:
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.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 PHE A  57
THR A  59
GLY A 275
VAL A 238
VAL A 246
 None
 1.29A 2a1nA-4oh0A:
undetectable		 2a1nA-4oh0A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 THR A  94
GLY A 206
THR A 190
VAL A 192
VAL A 171
 None
 1.24A 2a1nA-4qanA:
undetectable		 2a1nA-4qanA:
23.58
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 THR A 382
LEU A  98
GLY A 190
VAL A 258
VAL A 352
 None
 1.19A 2a1nA-4qbuA:
undetectable		 2a1nA-4qbuA:
21.15
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 THR A 819
LEU A 753
VAL A 752
GLY A 751
VAL A 821
 None
 1.30A 2a1nA-4qnlA:
undetectable		 2a1nA-4qnlA:
18.12
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.
4rj9 C2 DOMAIN-CONTAINING
PROTEIN-LIKE

(Oryza sativa) 		PF00168
(C2) 		5 THR A  48
THR A  42
GLY A  16
VAL A  72
VAL A  31
 None
 1.26A 2a1nA-4rj9A:
undetectable		 2a1nA-4rj9A:
19.23
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.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		5 TYR A  80
THR A 103
LEU A  38
GLY A   7
THR A  11
 None
 1.26A 2a1nA-4s1pA:
undetectable		 2a1nA-4s1pA:
20.19
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.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 THR A 195
LEU A 242
GLY A 199
VAL A 208
VAL A  34
 None
 1.21A 2a1nA-4u02A:
undetectable		 2a1nA-4u02A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.24A 2a1nA-4yacA:
undetectable		 2a1nA-4yacA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.10A 2a1nA-4ymwJ:
undetectable		 2a1nA-4ymwJ:
19.56
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		5 PHE K 873
LEU K 887
VAL K 890
GLY K 889
THR K 763
 None
 1.19A 2a1nA-5anbK:
undetectable		 2a1nA-5anbK:
16.99
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 TYR B 121
GLY B  97
VAL B 115
ASP B  90
VAL B  88
 TPP  B 402 (-4.2A)
None
None
MG  B 403 ( 3.1A)
None
 1.04A 2a1nA-5b47B:
undetectable		 2a1nA-5b47B:
19.55
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 LEU A  26
GLY A  30
VAL A  41
ASP A  43
VAL A 107
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.93A 2a1nA-5bp7A:
undetectable		 2a1nA-5bp7A:
21.09
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.
5btb AFR263CP

(Eremothecium
gossypii) 		PF08652
(RAI1) 		5 THR A 316
LEU A  18
VAL A 205
GLY A 204
VAL A 109
 None
 1.16A 2a1nA-5btbA:
undetectable		 2a1nA-5btbA:
22.45
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 LEU A  78
VAL A  70
GLY A  71
THR A 116
VAL A  40
 None
 1.21A 2a1nA-5by3A:
undetectable		 2a1nA-5by3A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 LEU A  25
GLY A  29
VAL A  40
ASP A  42
VAL A 106
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.94A 2a1nA-5epeA:
undetectable		 2a1nA-5epeA:
20.24
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis) 		no annotation 5 THR A 342
GLY A 319
VAL A 369
ASP A 329
VAL A 331
 None
 1.20A 2a1nA-5irbA:
undetectable		 2a1nA-5irbA:
18.95
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 THR A 230
GLY A 251
THR A 245
ASP A 225
VAL A 185
 None
 1.17A 2a1nA-5ix8A:
undetectable		 2a1nA-5ix8A:
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.
5jh1 ALDOSE REDUCTASE,
AKR4C7

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 PHE A  74
THR A   9
THR A  76
VAL A 174
GLY A 152
 None
 1.25A 2a1nA-5jh1A:
undetectable		 2a1nA-5jh1A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
STE  A 502 ( 4.8A)
 1.13A 2a1nA-5k53A:
undetectable		 2a1nA-5k53A:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 250
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.8A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.75A 2a1nA-5kyoA:
50.2		 2a1nA-5kyoA:
40.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 251
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.3A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.94A 2a1nA-5kyoA:
50.2		 2a1nA-5kyoA:
40.60
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 PHE A 319
THR A 305
LEU A 382
GLY A 353
THR A 345
 None
 1.19A 2a1nA-5ldtA:
undetectable		 2a1nA-5ldtA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocp -

(-) 		no annotation 5 LEU A  33
VAL A   3
GLY A   4
VAL A  87
VAL A  85
 None
 1.21A 2a1nA-5ocpA:
undetectable		 2a1nA-5ocpA:
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.
5opt 40S RIBOSOMAL
PROTEIN S5, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 THR O  33
VAL O  55
THR O  59
VAL O  76
VAL O  79
 None
 1.24A 2a1nA-5optO:
undetectable		 2a1nA-5optO:
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 294
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.14A 2a1nA-5vevA:
undetectable		 2a1nA-5vevA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 PHE A 245
LEU A  39
VAL A  25
GLY A  95
THR A 103
 None
 1.27A 2a1nA-5xksA:
undetectable		 2a1nA-5xksA:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 LEU A 256
VAL A 259
GLY A 261
THR A 264
VAL A 308
 HEM  A 501 ( 4.8A)
DXJ  A 502 (-4.5A)
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 4.6A)
 1.19A 2a1nA-6bldA:
42.0		 2a1nA-6bldA:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 LEU A 256
VAL A 259
THR A 264
VAL A 308
VAL A 409
 HEM  A 501 ( 4.8A)
DXJ  A 502 (-4.5A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 4.6A)
None
 0.80A 2a1nA-6bldA:
42.0		 2a1nA-6bldA:
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 5 THR A 247
LEU A 260
VAL A 256
GLY A 230
VAL A 182
 None
 1.29A 2a1nA-6chkA:
undetectable		 2a1nA-6chkA:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A  74
GLY A  53
THR A  51
VAL A  49
VAL A  69
 None
 1.13A 2a1nA-6conA:
undetectable		 2a1nA-6conA:
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
GLY A 301
VAL A 384
VAL A 306
 None
 1.28A 2a1nA-6d35A:
undetectable		 2a1nA-6d35A:
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
VAL A 243
GLY A 301
VAL A 384
 None
 1.13A 2a1nA-6d35A:
undetectable		 2a1nA-6d35A:
undetectable