SIMILAR PATTERNS OF AMINO ACIDS FOR 3SM2_A_478A126

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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		6 VAL A  85
VAL A  52
GLY A  44
LEU A 108
TYR A  60
LEU A  64
 None
 1.46A 3sm2B-1a5iA:
undetectable		 3sm2B-1a5iA:
19.48
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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		5 HIS A  90
VAL A 115
GLY A  15
ALA A  16
PRO A 129
 None
 0.91A 3sm2B-1agxA:
undetectable		 3sm2B-1agxA:
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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 136
GLY A  12
ALA A  13
LEU A 130
LEU A 152
 None
FAD  A 492 (-3.4A)
None
None
None
 1.05A 3sm2B-1aogA:
undetectable		 3sm2B-1aogA:
15.11
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.
1bs9 ACETYL XYLAN
ESTERASE

(Talaromyces
purpureogenus) 		PF01083
(Cutinase) 		5 VAL A  29
VAL A  87
GLY A   9
ALA A  40
LEU A  30
 None
 1.00A 3sm2B-1bs9A:
undetectable		 3sm2B-1bs9A:
22.33
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A   6
VAL A 139
GLY A   9
ALA A  10
LEU A 129
 None
None
FAD  A 395 (-3.4A)
None
None
 0.87A 3sm2B-1cj2A:
undetectable		 3sm2B-1cj2A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ALA A 211
VAL A 217
VAL A 186
GLY A 208
LEU A 194
 None
 1.05A 3sm2B-1dabA:
undetectable		 3sm2B-1dabA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 HIS A 204
GLY A  12
ALA A  15
LEU A 202
LEU A 210
 None
 1.03A 3sm2B-1ek2A:
undetectable		 3sm2B-1ek2A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 ALA A 327
GLY A 271
ALA A 284
PRO A 374
LEU A 377
 None
CL  A4901 ( 3.7A)
None
None
None
 0.93A 3sm2B-1fwxA:
undetectable		 3sm2B-1fwxA:
10.90
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.
1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 121
VAL A 200
VAL A  27
ALA A  31
LEU A 209
 None
 1.02A 3sm2B-1fxyA:
undetectable		 3sm2B-1fxyA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
None
 0.84A 3sm2B-1hvcA:
8.5		 3sm2B-1hvcA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
None
A79  A 800 ( 3.9A)
 0.85A 3sm2B-1hvcA:
8.5		 3sm2B-1hvcA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
LEU A  76
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
None
A79  A 800 ( 3.4A)
 0.90A 3sm2B-1hvcA:
8.5		 3sm2B-1hvcA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1p SMALL TETRAHEME
CYTOCHROME C

(Shewanella
oneidensis) 		PF14537
(Cytochrom_c3_2) 		5 ALA A  59
HIS A  62
VAL A  64
ALA A  33
LEU A   5
 HEM  A 801 (-3.5A)
HEM  A 803 ( 3.3A)
HEM  A 801 (-3.7A)
None
HEM  A 802 ( 4.9A)
 1.01A 3sm2B-1m1pA:
undetectable		 3sm2B-1m1pA:
18.18
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 VAL A 388
GLY A 498
ALA A 499
LEU A 401
LEU A 333
 None
 0.64A 3sm2B-1mpxA:
undetectable		 3sm2B-1mpxA:
13.43
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.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1

(Sus scrofa) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		5 VAL A 148
VAL A  36
ALA A 107
LEU A  77
LEU A 131
 None
YCM  A  37 ( 3.0A)
None
None
None
 0.98A 3sm2B-1px5A:
undetectable		 3sm2B-1px5A:
16.86
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.
1qh4 CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ALA A 339
VAL A 336
GLY A 294
ALA A 293
LEU A 312
 None
 1.04A 3sm2B-1qh4A:
undetectable		 3sm2B-1qh4A:
17.87
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE

(Mycobacterium
bovis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 ALA A 144
VAL A 140
VAL A 128
GLY A 147
LEU A 123
LEU A 158
 None
 1.18A 3sm2B-1tdtA:
undetectable		 3sm2B-1tdtA:
18.68
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.
1wek HYPOTHETICAL PROTEIN
TT1465

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 ALA A  57
VAL A  84
GLY A  62
ALA A  64
LEU A 168
 None
 0.86A 3sm2B-1wekA:
undetectable		 3sm2B-1wekA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		5 HIS A 256
GLY A  67
ALA A  66
LEU A 127
PRO A 168
 ZN  A 600 ( 3.5A)
NAD  A 400 (-3.3A)
NAD  A 400 ( 4.7A)
NAD  A 400 (-3.6A)
None
 1.02A 3sm2B-1xajA:
undetectable		 3sm2B-1xajA:
16.31
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.
1xuq SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ALA A  43
HIS A  47
VAL A  65
LEU A  50
LEU A  40
 None
 1.05A 3sm2B-1xuqA:
undetectable		 3sm2B-1xuqA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 402
GLY A 395
ALA A 396
LEU A 363
LEU A 365
 None
 1.03A 3sm2B-1ykwA:
undetectable		 3sm2B-1ykwA:
15.81
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.
2cbz MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 ALA A 675
VAL A 840
GLY A 678
LEU A 855
LEU A 832
 None
 0.98A 3sm2B-2cbzA:
undetectable		 3sm2B-2cbzA:
19.82
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  54
LEU A  81
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.9A)
 0.88A 3sm2B-2fmbA:
12.7		 3sm2B-2fmbA:
26.81
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
GLY A  55
LEU A  81
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
None
LP1  A 201 (-3.9A)
 0.85A 3sm2B-2fmbA:
12.7		 3sm2B-2fmbA:
26.81
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A 248
VAL A 139
ALA A 134
LEU A 309
LEU A 154
 None
 0.97A 3sm2B-2hjsA:
undetectable		 3sm2B-2hjsA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ALA G 248
VAL G 254
VAL G 223
GLY G 245
LEU G 231
 None
 1.05A 3sm2B-2iouG:
undetectable		 3sm2B-2iouG:
14.25
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 VAL G 176
VAL G 166
GLY G 185
ALA G 222
LEU G 206
 None
 1.05A 3sm2B-2iouG:
undetectable		 3sm2B-2iouG:
14.25
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 VAL G 204
VAL G 166
GLY G 185
ALA G 222
LEU G 231
 None
 1.05A 3sm2B-2iouG:
undetectable		 3sm2B-2iouG:
14.25
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.
2pz0 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Caldanaerobacter
subterraneus) 		PF03009
(GDPD) 		5 VAL A 105
VAL A 116
GLY A  42
ALA A  40
LEU A 108
 None
 1.03A 3sm2B-2pz0A:
undetectable		 3sm2B-2pz0A:
21.05
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.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		5 ALA A  89
HIS A 353
VAL A 351
LEU A 320
LEU A 204
 None
 0.98A 3sm2B-2r9yA:
undetectable		 3sm2B-2r9yA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 108
VAL A 121
GLY A 114
ALA A 116
LEU A 272
 None
 1.04A 3sm2B-2rdxA:
undetectable		 3sm2B-2rdxA:
15.06
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.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  47
GLY A  49
LEU A  76
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
None
 0.50A 3sm2B-2rkfA:
11.0		 3sm2B-2rkfA:
25.95
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 VAL A 214
GLY A  97
LEU A  59
TYR A  77
LEU A  75
 None
 0.95A 3sm2B-2vg9A:
undetectable		 3sm2B-2vg9A:
20.63
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ALA A 675
VAL A 668
VAL A 535
LEU A 654
LEU A 673
 None
MG  A1783 (-4.2A)
None
None
None
 0.99A 3sm2B-2wdaA:
undetectable		 3sm2B-2wdaA:
11.22
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.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum) 		PF02458
(Transferase) 		5 ALA A 167
HIS A 164
GLY A 170
ALA A 171
LEU A  74
 None
 0.95A 3sm2B-2xr7A:
undetectable		 3sm2B-2xr7A:
13.91
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		5 VAL A 310
GLY A 284
ALA A 285
LEU A 307
PRO A 325
 None
 1.01A 3sm2B-2ypfA:
undetectable		 3sm2B-2ypfA:
11.19
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A   6
VAL A  54
GLY A  32
ALA A  33
LEU A  24
 None
 0.83A 3sm2B-2z95A:
undetectable		 3sm2B-2z95A:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zet MELANOPHILIN
RAS-RELATED PROTEIN
RAB-27B

(Mus musculus) 		PF00071
(Ras)
PF02318
(FYVE_2) 		6 VAL C 137
VAL C  18
GLY A  43
ALA A  76
LEU C 141
LEU C   5
 None
 1.45A 3sm2B-2zetC:
undetectable		 3sm2B-2zetC:
20.75
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ALA A 381
VAL A 399
ALA A 387
LEU A 413
LEU A 435
 None
 1.04A 3sm2B-3c8tA:
undetectable		 3sm2B-3c8tA:
13.75
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.
3g9h SUPPRESSOR OF YEAST
PROFILIN DELETION

(Saccharomyces
cerevisiae) 		PF10291
(muHD) 		5 ALA A 870
VAL A 725
VAL A 812
ALA A 809
LEU A 727
 None
 1.05A 3sm2B-3g9hA:
undetectable		 3sm2B-3g9hA:
20.12
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.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 ALA A  92
GLY A  43
LEU A  77
PRO A 236
LEU A 242
 None
 1.02A 3sm2B-3gc2A:
undetectable		 3sm2B-3gc2A:
16.25
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ALA A 115
VAL A  86
VAL A  18
GLY A 310
LEU A   8
 NDP  A 326 (-3.5A)
None
None
None
None
 0.98A 3sm2B-3ingA:
undetectable		 3sm2B-3ingA:
17.45
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.
3lw0 INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A1138
VAL A1149
ALA A1116
PRO A1107
LEU A1091
 None
None
None
CCX  A1287 ( 4.8A)
None
 1.04A 3sm2B-3lw0A:
undetectable		 3sm2B-3lw0A:
18.09
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		5 ALA A 173
HIS A 171
VAL A 158
GLY A 152
ALA A 153
 None
 0.97A 3sm2B-3majA:
undetectable		 3sm2B-3majA:
15.75
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
LEU A  76
PRO A  81
 None
 1.02A 3sm2B-3mwsA:
11.7		 3sm2B-3mwsA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
 None
 0.71A 3sm2B-3mwsA:
11.7		 3sm2B-3mwsA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
LEU A  76
PRO A  81
 None
 0.74A 3sm2B-3mwsA:
11.7		 3sm2B-3mwsA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 ASP A 227
ALA A  56
GLY A  59
ALA A  60
LEU A 196
 None
None
FAD  A 401 (-4.1A)
FAD  A 401 (-3.4A)
None
 1.05A 3sm2B-3qj4A:
undetectable		 3sm2B-3qj4A:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		11 ASP A  32
ALA A  35
HIS A  37
VAL A  39
VAL A  54
GLY A  56
ALA A  57
LEU A  83
PRO A  89
TYR A  90
LEU A  92
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
3TL  A 126 ( 4.1A)
None
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
3TL  A 126 (-3.6A)
None
3TL  A 126 (-4.0A)
3TL  A 126 (-4.4A)
3TL  A 126 (-4.6A)
 0.32A 3sm2B-3slzA:
21.5		 3sm2B-3slzA:
100.00
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.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
LEU A  76
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
None
 0.67A 3sm2B-3t3cA:
11.3		 3sm2B-3t3cA:
24.06
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.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  47
GLY A  49
LEU A  76
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
None
 0.46A 3sm2B-3ttpA:
12.0		 3sm2B-3ttpA:
26.52
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.
3uf0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Beutenbergia
cavernae) 		PF13561
(adh_short_C2) 		5 ALA A  72
VAL A  62
GLY A  40
LEU A  79
LEU A 122
 None
None
NAP  A 274 ( 4.5A)
None
None
 1.04A 3sm2B-3uf0A:
undetectable		 3sm2B-3uf0A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vs8 TYPE III POLYKETIDE
SYNTHASE

(Azotobacter
vinelandii) 		PF02797
(Chal_sti_synt_C) 		6 ALA A 332
VAL A 405
GLY A 403
ALA A 402
TYR A 249
LEU A 377
 None
 1.29A 3sm2B-3vs8A:
undetectable		 3sm2B-3vs8A:
17.37
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 ALA A  27
VAL A  42
VAL A  59
ALA A  63
LEU A 109
 None
 1.04A 3sm2B-3zk4A:
undetectable		 3sm2B-3zk4A:
11.85
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.
4c3z MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 ALA A 675
VAL A 840
GLY A 678
LEU A 855
LEU A 832
 None
 0.99A 3sm2B-4c3zA:
undetectable		 3sm2B-4c3zA:
18.66
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.
4c7u SUPEROXIDE DISMUTASE
[MN] 1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ALA A 120
VAL A 164
GLY A 125
ALA A 144
LEU A 181
 None
 1.04A 3sm2B-4c7uA:
undetectable		 3sm2B-4c7uA:
25.49
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 115
VAL A 128
GLY A 121
ALA A 123
LEU A 296
 None
 1.00A 3sm2B-4dhgA:
undetectable		 3sm2B-4dhgA:
16.58
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 100
VAL A 113
GLY A 106
ALA A 108
LEU A 289
 None
 0.97A 3sm2B-4e4uA:
undetectable		 3sm2B-4e4uA:
15.71
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		6 ALA C  18
VAL C   8
VAL C  73
GLY C  23
ALA C  25
LEU C  31
 None
 1.35A 3sm2B-4fk1C:
undetectable		 3sm2B-4fk1C:
17.28
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		6 VAL C   8
VAL C  73
GLY C  23
ALA C  25
LEU C  31
TYR C 265
 None
 1.39A 3sm2B-4fk1C:
undetectable		 3sm2B-4fk1C:
17.28
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 ALA A 189
VAL A 154
GLY A  17
ALA A  28
LEU A 192
 None
 1.00A 3sm2B-4gniA:
undetectable		 3sm2B-4gniA:
16.17
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.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 ALA A 159
VAL A 203
GLY A 181
ALA A 180
LEU A 201
 None
 0.95A 3sm2B-4gq1A:
undetectable		 3sm2B-4gq1A:
15.00
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.
4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ALA A 101
VAL A  92
ALA A  71
LEU A  93
PRO A  46
 None
 1.04A 3sm2B-4i62A:
undetectable		 3sm2B-4i62A:
19.61
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.
4ici PUTATIVE
FLAVOPROTEIN

(Bacteroides
eggerthii) 		PF12682
(Flavodoxin_4) 		5 ALA A  49
VAL A  37
GLY A  54
ALA A  55
LEU A 172
 None
 1.00A 3sm2B-4iciA:
undetectable		 3sm2B-4iciA:
20.45
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 ASP A 275
ALA A 278
VAL A 255
GLY A 257
LEU A 270
 None
 0.89A 3sm2B-4ijnA:
undetectable		 3sm2B-4ijnA:
16.83
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.
4k7k CATION EFFLUX SYSTEM
PROTEIN CUSC

(Escherichia
coli) 		PF02321
(OEP) 		5 ALA A 300
VAL A 360
GLY A 254
ALA A 253
LEU A 364
 None
 1.01A 3sm2B-4k7kA:
undetectable		 3sm2B-4k7kA:
13.51
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 121
VAL A  78
GLY A 237
LEU A  10
LEU A 119
 None
 0.99A 3sm2B-4ln1A:
undetectable		 3sm2B-4ln1A:
20.12
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.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM

(Caldanaerobacter
subterraneus) 		PF01891
(CbiM) 		5 ALA A 155
ALA A  66
PRO A   4
TYR A   7
LEU A 158
 None
None
None
HEZ  A 311 (-3.6A)
None
 1.03A 3sm2B-4m5bA:
undetectable		 3sm2B-4m5bA:
19.81
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 ASP A  15
HIS A 288
VAL A 268
GLY A 270
LEU A 265
 SO4  A 402 (-3.0A)
None
None
None
None
 1.04A 3sm2B-4mlgA:
undetectable		 3sm2B-4mlgA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 1.05A 3sm2B-4njvA:
11.2		 3sm2B-4njvA:
25.95
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.
4o7p MALTOKINASE

(Mycobacterium
tuberculosis) 		no annotation 5 ASP A 360
HIS A 324
VAL A 364
VAL A 328
TYR A 404
 None
BTB  A 501 (-4.4A)
None
None
None
 0.95A 3sm2B-4o7pA:
undetectable		 3sm2B-4o7pA:
15.16
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 205
GLY A 213
ALA A 234
LEU A 192
TYR A 218
 None
 1.03A 3sm2B-4rvsA:
undetectable		 3sm2B-4rvsA:
19.33
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 ASP A 343
HIS A 307
VAL A 347
VAL A 311
TYR A 391
 None
 1.01A 3sm2B-4u98A:
undetectable		 3sm2B-4u98A:
14.77
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.
4ui9 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 13
CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG

(Homo sapiens) 		PF04049
(ANAPC8)
PF05839
(Apc13p)
PF13181
(TPR_8)
PF13414
(TPR_11) 		5 VAL C 336
GLY C 338
ALA C 350
LEU C 319
PRO M  25
 None
 1.02A 3sm2B-4ui9C:
undetectable		 3sm2B-4ui9C:
12.16
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 VAL A 224
GLY A  25
ALA A  24
LEU A 221
LEU A 228
 None
 0.99A 3sm2B-4uy6A:
undetectable		 3sm2B-4uy6A:
16.20
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ALA A  76
VAL A  53
GLY A  81
ALA A  83
LEU A  89
 None
 1.01A 3sm2B-4uzsA:
undetectable		 3sm2B-4uzsA:
11.18
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 391
VAL A 429
ALA A 436
PRO A 417
LEU A 380
 None
 1.02A 3sm2B-4xriA:
undetectable		 3sm2B-4xriA:
9.36
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ASP A  32
ALA A  35
VAL A  39
VAL A  56
GLY A  58
ALA A  59
LEU A  91
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
None
4B1  A 201 (-3.4A)
4B1  A 201 (-3.1A)
None
 0.77A 3sm2B-4ydfA:
10.3		 3sm2B-4ydfA:
27.01
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.
4yqy PUTATIVE
DEHYDROGENASE

(Sulfitobacter
sp. NAS-14.1) 		PF13561
(adh_short_C2) 		5 ALA A  20
VAL A  10
GLY A  13
LEU A  25
LEU A  23
 None
 0.98A 3sm2B-4yqyA:
undetectable		 3sm2B-4yqyA:
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 572
VAL A 395
ALA A 390
LEU A 571
TYR A 182
 None
 1.02A 3sm2B-5a7mA:
undetectable		 3sm2B-5a7mA:
10.30
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.
5ajh CUTINASE

(Fusarium
oxysporum) 		PF01083
(Cutinase) 		5 VAL A  56
VAL A 146
GLY A 144
ALA A 143
LEU A  60
 None
 0.98A 3sm2B-5ajhA:
undetectable		 3sm2B-5ajhA:
19.91
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA

(Schizosaccharomyces
pombe) 		PF00483
(NTP_transferase) 		5 ALA E 417
VAL E 413
VAL E 402
GLY E 420
LEU E 396
 None
 1.05A 3sm2B-5b04E:
undetectable		 3sm2B-5b04E:
13.11
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.
5dn6 ATP SYNTHASE GAMMA
CHAIN

(Paracoccus
denitrificans) 		PF00231
(ATP-synt) 		5 VAL G  81
VAL G 230
ALA G 155
LEU G 174
LEU G 118
 None
 1.00A 3sm2B-5dn6G:
undetectable		 3sm2B-5dn6G:
17.81
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.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ASP A  88
HIS A 237
VAL A 239
LEU A 198
PRO A 166
 None
ZN  A 401 ( 3.3A)
None
None
None
 1.03A 3sm2B-5gjaA:
undetectable		 3sm2B-5gjaA:
17.45
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 501
VAL A 354
GLY A 498
ALA A 372
LEU A 576
 None
 1.02A 3sm2B-5h3kA:
undetectable		 3sm2B-5h3kA:
12.62
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		6 ALA A 123
HIS A 121
VAL A 280
VAL A 242
GLY A 128
ALA A 130
 None
 1.49A 3sm2B-5i20A:
undetectable		 3sm2B-5i20A:
20.48
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.
5k8d COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 ALA A 296
VAL A 257
ALA A 284
LEU A 197
LEU A 294
 None
 1.00A 3sm2B-5k8dA:
undetectable		 3sm2B-5k8dA:
10.37
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 ALA A 282
GLY A  84
ALA A  85
TYR A  14
LEU A 284
 None
 1.03A 3sm2B-5l2pA:
undetectable		 3sm2B-5l2pA:
17.43
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 ALA A 189
VAL A 154
GLY A  17
ALA A  28
LEU A 192
 None
 0.97A 3sm2B-5mb9A:
undetectable		 3sm2B-5mb9A:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ncs SERPIN

(Tannerella
forsythia) 		PF00079
(Serpin) 		5 ALA A  74
HIS A 345
VAL A 343
LEU A 310
LEU A 195
 None
 1.01A 3sm2B-5ncsA:
undetectable		 3sm2B-5ncsA:
15.78
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.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
 None
 0.74A 3sm2B-5t2zA:
11.0		 3sm2B-5t2zA:
29.82
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.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
LEU A  76
PRO A  81
 None
 0.74A 3sm2B-5t2zA:
11.0		 3sm2B-5t2zA:
29.82
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.
5viy BG1 FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H  85
VAL H 129
GLY H  94
ALA H  40
LEU H  18
 None
 0.82A 3sm2B-5viyH:
undetectable		 3sm2B-5viyH:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6amz 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 144
VAL A 128
GLY A 147
LEU A 123
LEU A 158
 None
 1.03A 3sm2B-6amzA:
undetectable		 3sm2B-6amzA:
20.22
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 5 ASP A 291
HIS A  75
VAL A  73
GLY A 308
PRO A 320
 CA  A 501 (-2.4A)
None
None
None
None
 0.97A 3sm2B-6b0kA:
undetectable		 3sm2B-6b0kA:
21.67
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 5 VAL B  85
VAL B  52
ALA B  55
LEU B 108
LEU B  64
 None
 1.00A 3sm2B-6b74B:
undetectable		 3sm2B-6b74B:
17.42
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 6 ALA A  73
VAL A  34
VAL A  81
GLY A  79
LEU A  10
LEU A  55
 None
 1.46A 3sm2B-6b9uA:
undetectable		 3sm2B-6b9uA:
18.40
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ALA A 145
VAL A  10
ALA A 323
LEU A  33
LEU A 143
 FAD  A 502 (-4.8A)
None
None
None
None
 1.03A 3sm2B-6cmzA:
undetectable		 3sm2B-6cmzA:
18.88
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ASP A 242
GLY A 417
ALA A 418
PRO A 158
TYR A 159
 None
 0.94A 3sm2B-6g43A:
undetectable		 3sm2B-6g43A:
25.40
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ASP A 242
GLY A 417
ALA A 418
PRO A 158
TYR A 159
 None
 0.93A 3sm2B-6g45A:
undetectable		 3sm2B-6g45A:
25.40