SIMILAR PATTERNS OF AMINO ACIDS FOR 5G48_B_1FLB1375_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU P 197
LEU P 145
PRO P 192
PRO P 136
MET P 120
 None
NDG  P 601 ( 4.9A)
None
None
None
 1.39A 5g48B-1e33P:
0.0		 5g48B-1e33P:
19.14
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.
1go3 DNA-DIRECTED RNA
POLYMERASE SUBUNIT F

(Methanocaldococcus
jannaschii) 		PF03874
(RNA_pol_Rpb4) 		5 THR F  68
LEU F  59
PRO F  77
ILE F  99
LEU F  62
 None
 1.16A 5g48B-1go3F:
undetectable		 5g48B-1go3F:
13.87
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 LEU 1 306
LEU 1 355
ILE 1 291
PRO 1  18
LEU 1 352
 None
 1.41A 5g48B-1gt91:
0.0		 5g48B-1gt91:
20.77
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 LEU A  82
THR A 120
LEU A 121
ILE A 149
LEU A 152
 None
 1.23A 5g48B-1gveA:
0.0		 5g48B-1gveA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  33
THR A  31
LEU A  89
ILE A  66
LEU A  90
 None
 1.49A 5g48B-1hvcA:
0.0		 5g48B-1hvcA:
19.57
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.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		5 LEU A1168
LEU A1191
ILE A1200
PRO A1231
LEU A1213
 None
 1.50A 5g48B-1jl5A:
0.0		 5g48B-1jl5A:
24.02
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 LEU A 213
THR A 210
LEU A 208
PRO A 101
LEU A 207
 None
 1.37A 5g48B-1nr6A:
0.0		 5g48B-1nr6A:
23.19
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 THR A 354
LEU A 352
PRO A 308
ILE A 310
LEU A 348
 None
 1.19A 5g48B-1pn3A:
0.0		 5g48B-1pn3A:
19.28
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 LEU A 151
THR A 115
LEU A 120
PRO A 334
LEU A 123
 None
 1.29A 5g48B-1pznA:
undetectable		 5g48B-1pznA:
23.56
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		5 LEU A 168
THR A 170
LEU A 175
ILE A 189
LEU A 176
 None
 1.28A 5g48B-1xknA:
undetectable		 5g48B-1xknA:
22.28
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 339
THR A 345
LEU A 348
ILE A 325
LEU A 352
 None
 1.34A 5g48B-1y4uA:
undetectable		 5g48B-1y4uA:
23.14
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 THR A 345
LEU A 348
ILE A 325
LEU A 352
MET A 314
 None
 1.42A 5g48B-1y4uA:
undetectable		 5g48B-1y4uA:
23.14
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.
1yr1 CELL-DIVISION
INITIATION PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 171
THR A 168
LEU A 133
PRO A 153
LEU A 139
 None
 1.42A 5g48B-1yr1A:
undetectable		 5g48B-1yr1A:
13.55
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 LEU A  51
THR A 195
PRO A 257
ILE A 208
LEU A 207
 None
 1.28A 5g48B-1zg4A:
undetectable		 5g48B-1zg4A:
22.11
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A 162
THR A 180
PRO A 250
PRO A 356
LEU A 371
 None
 0.57A 5g48B-2avtA:
9.5		 5g48B-2avtA:
26.94
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 LEU A 162
THR A 180
LEU A 185
PRO A 250
PRO A 356
LEU A 371
 None
 0.76A 5g48B-2awaA:
36.3		 5g48B-2awaA:
25.66
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		5 LEU A 246
THR A 143
LEU A  20
ILE A  16
LEU A  22
 None
 1.38A 5g48B-2ayiA:
undetectable		 5g48B-2ayiA:
24.18
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 109
THR A 139
LEU A 148
PRO A 103
LEU A  97
 None
 1.34A 5g48B-2bi0A:
undetectable		 5g48B-2bi0A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 LEU A 115
THR A 153
LEU A 154
ILE A 182
LEU A 185
 None
 1.28A 5g48B-2bp1A:
undetectable		 5g48B-2bp1A:
21.84
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.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 LEU A  82
THR A 120
LEU A 121
ILE A 149
LEU A 152
 None
 1.25A 5g48B-2c91A:
undetectable		 5g48B-2c91A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 LEU A 115
THR A 153
LEU A 154
ILE A 182
LEU A 185
 None
 1.25A 5g48B-2clpA:
undetectable		 5g48B-2clpA:
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.
2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 THR A 296
THR A 293
LEU A 234
ILE A 274
LEU A 233
 None
NDP  A1361 ( 3.9A)
None
None
None
 1.33A 5g48B-2clpA:
undetectable		 5g48B-2clpA:
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 735
LEU A 678
ILE A 680
PRO A 635
LEU A 679
 None
 1.34A 5g48B-2ecfA:
undetectable		 5g48B-2ecfA:
20.11
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.
2obm ESCN

(Escherichia
coli) 		PF00006
(ATP-synt_ab) 		5 LEU A 218
LEU A 187
ILE A 190
PRO A 356
LEU A 186
 None
None
None
ADP  A 600 ( 4.2A)
None
 1.43A 5g48B-2obmA:
undetectable		 5g48B-2obmA:
22.47
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 306
THR A 224
LEU A 298
ILE A 234
LEU A 296
 None
 0.85A 5g48B-2qzwA:
undetectable		 5g48B-2qzwA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rd5 ACETYLGLUTAMATE
KINASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 LEU A 170
LEU A 141
PRO A 177
ILE A 179
LEU A 142
 None
 1.42A 5g48B-2rd5A:
undetectable		 5g48B-2rd5A:
22.56
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.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  33
THR A  31
LEU A  89
ILE A  66
LEU A  90
 None
 1.49A 5g48B-2rkfA:
undetectable		 5g48B-2rkfA:
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 THR A 218
LEU A 221
PRO A 263
ILE A 259
LEU A 160
 None
 1.46A 5g48B-2wtbA:
undetectable		 5g48B-2wtbA:
20.68
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 399
THR A 405
LEU A 409
ILE A 418
PRO A 456
 None
 1.37A 5g48B-2z7xA:
undetectable		 5g48B-2z7xA:
23.73
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.
3asu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Escherichia
coli) 		PF00106
(adh_short) 		5 LEU A   4
THR A  30
THR A   6
LEU A  53
ILE A  61
 None
 1.21A 5g48B-3asuA:
undetectable		 5g48B-3asuA:
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.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 353
THR A 349
ILE A 341
PRO A 246
LEU A 340
 MC5  A   1 (-4.7A)
None
MC5  A   1 (-4.5A)
None
None
 1.31A 5g48B-3b0qA:
undetectable		 5g48B-3b0qA:
24.56
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		5 LEU A 216
LEU A 250
ILE A  17
LEU A 256
MET A 260
 None
 1.20A 5g48B-3ca8A:
undetectable		 5g48B-3ca8A:
22.10
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 LEU A 558
LEU A 588
ILE A 591
PRO A 633
LEU A 612
 None
 1.06A 5g48B-3ciyA:
undetectable		 5g48B-3ciyA:
21.81
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.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE

(Methanocaldococcus
jannaschii) 		PF00004
(AAA) 		5 LEU A 359
THR A 354
LEU A 350
ILE A 368
LEU A 380
 None
 1.41A 5g48B-3h4mA:
undetectable		 5g48B-3h4mA:
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 LEU A 322
LEU A 329
ILE A 351
PRO A 355
LEU A 367
 None
 1.23A 5g48B-3ie1A:
undetectable		 5g48B-3ie1A:
22.39
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.
3lup DEGV FAMILY PROTEIN

(Streptococcus
agalactiae) 		PF02645
(DegV) 		5 LEU A  13
THR A   7
LEU A   5
PRO A 115
LEU A  85
 None
 1.37A 5g48B-3lupA:
undetectable		 5g48B-3lupA:
24.35
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 LEU A 268
THR A 195
LEU A 234
ILE A 148
LEU A 242
 None
 1.20A 5g48B-3ooxA:
undetectable		 5g48B-3ooxA:
20.81
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 LEU B 213
THR B 223
THR B 222
PRO B  36
LEU B  29
 None
 1.31A 5g48B-3pdiB:
undetectable		 5g48B-3pdiB:
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.
3pxv NITROREDUCTASE

(Desulfitobacterium
hafniense) 		PF00881
(Nitroreductase) 		5 THR A 124
LEU A 126
ILE A  31
PRO A  23
LEU A  27
 None
 1.34A 5g48B-3pxvA:
undetectable		 5g48B-3pxvA:
20.90
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.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		5 LEU A 404
LEU A 470
PRO A 421
ILE A 451
LEU A 452
 None
 1.34A 5g48B-3pz6A:
undetectable		 5g48B-3pz6A:
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 LEU A 164
THR A 181
PRO A 259
PRO A 362
LEU A 394
MET A 396
 None
 0.96A 5g48B-3rb9A:
35.9		 5g48B-3rb9A:
25.18
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 THR A 181
LEU A 186
PRO A 259
PRO A 362
LEU A 394
MET A 396
 None
 0.69A 5g48B-3rb9A:
35.9		 5g48B-3rb9A:
25.18
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.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 LEU A  51
THR A 195
PRO A 257
ILE A 208
LEU A 207
 None
 1.45A 5g48B-3zdjA:
undetectable		 5g48B-3zdjA:
19.31
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 129
THR A 158
LEU A 160
ILE A 300
LEU A 161
 None
 1.32A 5g48B-3zxsA:
undetectable		 5g48B-3zxsA:
19.09
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.
4b0a TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1,
LINKER,
TATA-BOX-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00352
(TBP) 		5 LEU A 293
LEU A 304
ILE A 330
PRO A 165
LEU A 314
 None
 1.35A 5g48B-4b0aA:
undetectable		 5g48B-4b0aA:
19.90
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 556
THR A 611
THR A 607
LEU A 612
MET A 619
 None
 1.48A 5g48B-4fd2A:
undetectable		 5g48B-4fd2A:
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.
4k68 GH10 XYLANASE

(soil metagenome) 		PF00331
(Glyco_hydro_10) 		5 LEU A  54
THR A  53
LEU A  62
ILE A  66
LEU A  65
 None
 1.43A 5g48B-4k68A:
undetectable		 5g48B-4k68A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 LEU A  44
LEU A 206
ILE A 191
PRO A 169
LEU A 174
 None
 1.49A 5g48B-4n0iA:
undetectable		 5g48B-4n0iA:
22.95
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.
4oig NON-STRUCTURAL
PROTEIN 1, NS1

(Dengue virus) 		PF00948
(Flavi_NS1) 		5 LEU A 279
THR A 283
THR A 284
PRO A 320
ILE A 335
 None
 1.39A 5g48B-4oigA:
undetectable		 5g48B-4oigA:
18.21
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.
4ot9 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT

(Homo sapiens) 		PF12796
(Ank_2) 		5 THR A 482
LEU A 481
ILE A 511
PRO A 530
LEU A 492
 None
 1.23A 5g48B-4ot9A:
undetectable		 5g48B-4ot9A:
20.40
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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA

(Bacillus
subtilis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 LEU A 164
THR A 181
LEU A 186
PRO A 252
PRO A 359
LEU A 373
 None
 0.80A 5g48B-4tr6A:
37.7		 5g48B-4tr6A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkb YCF53-LIKE PROTEIN

(Synechocystis
sp. PCC 6803) 		PF05419
(GUN4)
PF16416
(GUN4_N) 		5 LEU A 210
LEU A 116
PRO A 208
ILE A 146
LEU A 119
 None
 1.30A 5g48B-4xkbA:
undetectable		 5g48B-4xkbA:
20.49
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 LEU A 168
THR A 169
PRO A 119
PRO A 188
LEU A 186
 None
None
None
NAI  A 500 (-3.7A)
None
 1.40A 5g48B-4yaiA:
undetectable		 5g48B-4yaiA:
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		7 LEU A 162
THR A 179
LEU A 184
PRO A 257
PRO A 360
LEU A 389
MET A 391
 None
 0.63A 5g48B-5ah4A:
36.1		 5g48B-5ah4A:
23.00
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.
5c5s UNCONVENTIONAL
MYOSIN-IXB

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 233
THR A 203
LEU A 201
PRO A 198
LEU A 197
 None
 1.44A 5g48B-5c5sA:
undetectable		 5g48B-5c5sA:
24.19
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.
5db4 NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01467
(CTP_transf_like) 		5 LEU A  23
THR A  68
PRO A 187
ILE A  66
LEU A  62
 None
 1.42A 5g48B-5db4A:
undetectable		 5g48B-5db4A:
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.
5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1

(Homo sapiens) 		PF03587
(EMG1) 		5 LEU A  52
THR A  88
LEU A  92
ILE A 126
LEU A  93
 None
 1.47A 5g48B-5faiA:
undetectable		 5g48B-5faiA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 LEU A 480
THR A 315
LEU A 320
PRO A 512
LEU A 321
 None
HEM  A 580 ( 4.6A)
None
None
None
 1.43A 5g48B-5fsaA:
undetectable		 5g48B-5fsaA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 LEU A 154
THR A 173
LEU A 178
PRO A 243
LEU A 368
MET A 370
 None
 0.69A 5g48B-5g4qA:
51.1		 5g48B-5g4qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		7 LEU A 154
THR A 173
THR A 175
LEU A 178
PRO A 243
PRO A 347
LEU A 368
 None
 0.36A 5g48B-5g4qA:
51.1		 5g48B-5g4qA:
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 171
LEU A 179
ILE A 163
PRO A 220
LEU A 211
 None
 1.41A 5g48B-5gmhA:
undetectable		 5g48B-5gmhA:
19.54
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 THR A 510
LEU A 538
PRO A 528
LEU A 542
MET A 507
 None
 1.25A 5g48B-5hqbA:
undetectable		 5g48B-5hqbA:
19.63
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.
5i45 GLYCOSYL
TRANSFERASES GROUP 1
FAMILY PROTEIN

(Francisella
tularensis) 		PF00534
(Glycos_transf_1) 		5 LEU A 191
THR A 190
LEU A 307
ILE A 250
LEU A 310
 None
 1.38A 5g48B-5i45A:
undetectable		 5g48B-5i45A:
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 LEU A 221
LEU A 197
ILE A 184
PRO A 178
LEU A 177
 None
 1.49A 5g48B-5kh1A:
undetectable		 5g48B-5kh1A:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 THR A 941
LEU A 943
ILE A 969
PRO A 948
LEU A 947
 None
 1.26A 5g48B-5nvrA:
undetectable		 5g48B-5nvrA:
17.14
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 LEU A 145
THR A 141
LEU A 130
ILE A 100
LEU A 134
 None
 1.23A 5g48B-5u47A:
undetectable		 5g48B-5u47A:
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.
5vl3 B-CELL RECEPTOR CD22

(Homo sapiens) 		no annotation 5 LEU Q 193
THR Q 191
ILE Q 172
PRO Q 143
LEU Q 174
 None
 1.28A 5g48B-5vl3Q:
undetectable		 5g48B-5vl3Q:
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.
5w7z DNA POLYMERASE III
SUBUNIT BETA

(Rickettsia
conorii) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 LEU A 155
THR A 172
LEU A 177
PRO A 246
PRO A 359
MET A 375
 None
MRD  A 403 (-3.1A)
MRD  A 403 ( 4.0A)
None
None
MRD  A 403 ( 4.5A)
 0.77A 5g48B-5w7zA:
10.3		 5g48B-5w7zA:
26.62
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 650
THR A 686
THR A 685
ILE A 400
LEU A 401
 None
 1.46A 5g48B-5weoA:
undetectable		 5g48B-5weoA:
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.
5wf2 UNCHARACTERIZED
PROTEIN

(Equus caballus) 		no annotation 5 LEU A 364
THR A 404
LEU A 408
ILE A 426
LEU A 427
 None
 1.40A 5g48B-5wf2A:
undetectable		 5g48B-5wf2A:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 LEU A 156
THR A 177
LEU A 182
PRO A 248
PRO A 352
 None
 0.85A 5g48B-5wypA:
37.6		 5g48B-5wypA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5l ADER

(Acinetobacter
baumannii) 		PF00486
(Trans_reg_C) 		5 LEU A 192
LEU A 214
ILE A 176
LEU A 218
MET A 226
 LEU  A 192 ( 0.6A)
LEU  A 214 ( 0.6A)
ILE  A 176 ( 0.4A)
LEU  A 218 ( 0.6A)
MET  A 226 ( 0.0A)
 1.26A 5g48B-5x5lA:
undetectable		 5g48B-5x5lA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zal ENDORIBONUCLEASE
DICER
RISC-LOADING COMPLEX
SUBUNIT TARBP2

(Homo sapiens) 		no annotation 5 THR A 350
LEU A 346
PRO B 333
ILE A 333
LEU A 345
 None
 1.33A 5g48B-5zalA:
undetectable		 5g48B-5zalA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 THR A 311
LEU A 317
PRO A 240
ILE A 160
LEU A 314
 None
 1.47A 5g48B-6ci7A:
undetectable		 5g48B-6ci7A:
11.83
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.
6d46 BETA SLIDING CLAMP

(Rickettsia
typhi) 		no annotation 6 LEU A 155
THR A 172
LEU A 177
PRO A 246
PRO A 361
MET A 377
 None
 0.63A 5g48B-6d46A:
38.7		 5g48B-6d46A:
11.72
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 6 LEU A 164
THR A 181
PRO A 259
PRO A 362
LEU A 394
MET A 396
 None
 0.88A 5g48B-6d47A:
36.8		 5g48B-6d47A:
13.68
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 6 THR A 181
LEU A 186
PRO A 259
PRO A 362
LEU A 394
MET A 396
 None
 0.75A 5g48B-6d47A:
36.8		 5g48B-6d47A:
13.68
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 5 LEU A 133
THR A 162
LEU A 164
ILE A 304
LEU A 165
 None
 0.97A 5g48B-6dd6A:
undetectable		 5g48B-6dd6A:
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.
6deg BETA SLIDING CLAMP

(Bartonella
birtlesii) 		no annotation 5 THR A 177
LEU A 182
PRO A 249
PRO A 353
MET A 369
 None
 0.97A 5g48B-6degA:
33.9		 5g48B-6degA:
12.69