SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZJO_D_ERYD1101_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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4
BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4
BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E;
Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv)
PF00073
(Rhv) 		5 THR 3 116
ALA 2 212
GLU 1  42
THR 1  43
GLY 1  44
 None
 1.39A 4zjoD-1bev3:
undetectable		 4zjoD-1bev3:
13.89
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 THR A  54
ALA A 219
GLU A  93
ASP A 156
GLY A  85
 None
 1.45A 4zjoD-1iy9A:
undetectable		 4zjoD-1iy9A:
13.94
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 159
SER A 393
ALA A 284
GLU A 347
GLY A 186
 None
 1.15A 4zjoD-1j3nA:
0.0		 4zjoD-1j3nA:
18.51
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 SER A  89
THR A  76
ALA A 430
ASP A  37
GLY A  36
 None
None
None
ZN  A 478 ( 2.1A)
None
 1.22A 4zjoD-1k7hA:
0.0		 4zjoD-1k7hA:
17.83
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 208
THR A 214
ALA A 388
GLU A 375
GLY A  44
 None
None
None
FAD  A 800 ( 3.8A)
FAD  A 800 (-3.8A)
 1.32A 4zjoD-1knrA:
undetectable		 4zjoD-1knrA:
20.53
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		5 SER A 131
THR A 130
ALA A 119
ASP A  70
GLY A  76
 None
None
None
NAP  A 800 ( 2.8A)
SO4  A 802 (-3.4A)
 1.39A 4zjoD-1oaaA:
0.0		 4zjoD-1oaaA:
13.60
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A  90
ALA A  66
GLU A 456
ASP A 393
GLY A 449
 None
None
None
None
HE3  A1406 (-3.7A)
 1.36A 4zjoD-1ozhA:
undetectable		 4zjoD-1ozhA:
20.53
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		5 SER A 509
THR A 508
GLU A 151
THR A 443
GLY A 441
 None
 1.32A 4zjoD-1pemA:
undetectable		 4zjoD-1pemA:
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.
1s6j CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		5 SER A  73
GLU A  80
ASP A  33
GLU A  44
GLY A  38
 CA  A  89 (-2.4A)
CA  A  89 (-3.7A)
CA  A  88 (-3.0A)
CA  A  88 (-3.1A)
None
 1.31A 4zjoD-1s6jA:
undetectable		 4zjoD-1s6jA:
5.82
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.
1uyo NALP

(Neisseria
meningitidis) 		PF03797
(Autotransporter) 		5 THR X 845
SER X 882
ALA X 878
ASP X 799
GLY X 802
 None
 1.25A 4zjoD-1uyoX:
undetectable		 4zjoD-1uyoX:
15.83
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 SER A 110
ALA A 117
ASP A 248
GLU A 249
GLY A 105
 None
 1.43A 4zjoD-1vquA:
undetectable		 4zjoD-1vquA:
18.44
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		5 SER A 191
SER A 183
ALA A 170
ASP A 319
GLY A 318
 None
 1.33A 4zjoD-1w25A:
4.4		 4zjoD-1w25A:
19.73
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.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A1022
THR A1021
GLU A1049
ASP A1239
GLU A1240
 None
None
None
MG  A5001 (-3.5A)
MG  A5001 (-3.1A)
 1.49A 4zjoD-1wufA:
undetectable		 4zjoD-1wufA:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 TYR A 170
THR B 138
ALA B 326
ASP A 132
THR A 135
 None
 1.46A 4zjoD-1wytA:
undetectable		 4zjoD-1wytA:
18.82
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.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		5 SER A  39
ALA A  32
ASP A 110
THR A 125
GLY A 112
 None
 1.48A 4zjoD-1xfbA:
undetectable		 4zjoD-1xfbA:
16.18
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		5 SER B 323
ALA B 358
GLU B 327
THR B 247
GLY B 248
 None
 1.28A 4zjoD-1y8qB:
2.5		 4zjoD-1y8qB:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		5 SER X 208
THR X 109
ALA X 318
THR X 192
GLY X 193
 None
 1.47A 4zjoD-1ys2X:
undetectable		 4zjoD-1ys2X:
16.11
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		5 THR A1099
SER A1037
ALA A1081
GLU A1011
GLY A1016
 None
EOH  A3007 ( 4.8A)
None
None
None
 1.24A 4zjoD-1yxoA:
undetectable		 4zjoD-1yxoA:
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.
2b3w HYPOTHETICAL PROTEIN
YBIA

(Escherichia
coli) 		PF08719
(DUF1768) 		5 TYR A  20
SER A  30
THR A  22
ALA A  74
ASP A 130
 None
 1.40A 4zjoD-2b3wA:
1.8		 4zjoD-2b3wA:
10.87
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.
2b3w HYPOTHETICAL PROTEIN
YBIA

(Escherichia
coli) 		PF08719
(DUF1768) 		5 TYR A  20
SER A  30
THR A  22
ALA A  74
THR A 127
 None
 1.41A 4zjoD-2b3wA:
1.8		 4zjoD-2b3wA:
10.87
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.
2b5i INTERLEUKIN-2
RECEPTOR BETA CHAIN
CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens;
Homo sapiens) 		no annotation
PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 TYR B 178
SER B 147
THR B 145
SER C 190
GLU B 170
 None
 1.47A 4zjoD-2b5iB:
undetectable		 4zjoD-2b5iB:
11.80
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.
2fz0 V-SNARE COMPONENT OF
THE VACUOLAR SNARE
COMPLEX INVOLVED IN
VESICLE FUSION
INHIBITS
ATP-DEPENDENT CA(2+)
TRANSPORT ACTIVITY
OF PMC1P IN THE
VACUOLAR MEMBRANE
NYV1P

(Saccharomyces
cerevisiae) 		PF09426
(Nyv1_N) 		5 SER A   7
GLU A  29
ASP A  99
THR A  33
GLY A  32
 None
 1.44A 4zjoD-2fz0A:
undetectable		 4zjoD-2fz0A:
8.81
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.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		5 TYR A 279
SER A 396
LYS A 399
ALA A 212
GLU A 284
 None
 1.35A 4zjoD-2g5dA:
undetectable		 4zjoD-2g5dA:
19.78
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 397
ALA A 287
GLU A 350
THR A 189
GLY A 190
 None
 1.43A 4zjoD-2gqdA:
undetectable		 4zjoD-2gqdA:
17.35
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 163
SER A 397
ALA A 287
GLU A 350
GLY A 190
 None
 1.04A 4zjoD-2gqdA:
undetectable		 4zjoD-2gqdA:
17.35
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 225
THR A 224
ALA A 548
GLU A 266
GLU A 397
 None
FAD  A1001 (-4.7A)
None
None
FAD  A1001 ( 3.7A)
 1.29A 4zjoD-2h88A:
undetectable		 4zjoD-2h88A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Chlorobaculum
tepidum) 		PF13419
(HAD_2) 		5 ALA A  51
GLU A 179
ASP A   9
THR A  13
GLY A 176
 None
None
MG  A 300 (-2.5A)
None
None
 1.40A 4zjoD-2hcfA:
2.0		 4zjoD-2hcfA:
12.74
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.
2hl9 UBIQUITIN-LIKE-SPECI
FIC PROTEASE 1

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		5 SER A 592
THR A 588
ALA A 619
GLU A 455
THR A 468
 None
 1.25A 4zjoD-2hl9A:
undetectable		 4zjoD-2hl9A:
13.02
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		5 SER A 293
THR A 289
ALA A 263
THR A 253
GLY A 254
 None
 1.35A 4zjoD-2horA:
undetectable		 4zjoD-2horA:
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 207
SER A 444
ALA A 331
GLU A 394
GLY A 234
 None
NH4  A1461 ( 4.4A)
None
NH4  A1461 (-3.7A)
None
 1.14A 4zjoD-2iwzA:
undetectable		 4zjoD-2iwzA:
18.85
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ALA A 375
ASP A 617
GLU A 616
THR A 622
GLY A 621
 None
 1.48A 4zjoD-2jgdA:
undetectable		 4zjoD-2jgdA:
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		5 SER A 453
THR A 450
ALA A 491
GLU A 514
THR A 317
 None
GOL  A1624 ( 4.4A)
None
None
None
 1.50A 4zjoD-2jlsA:
undetectable		 4zjoD-2jlsA:
17.16
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.
2qeq FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT

(West Nile virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 SER A 454
THR A 451
ALA A 492
GLU A 515
THR A 318
 None
 1.46A 4zjoD-2qeqA:
undetectable		 4zjoD-2qeqA:
16.97
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 TYR A 235
SER A 236
GLU A 419
THR A 411
GLY A 410
 None
 1.35A 4zjoD-2uvfA:
undetectable		 4zjoD-2uvfA:
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		5 SER A 275
ALA A 280
ASP A 234
GLU A 268
GLY A 230
 ADP  A1383 (-2.8A)
None
ADP  A1383 ( 4.5A)
ADP  A1383 (-2.9A)
ADP  A1383 (-3.6A)
 1.44A 4zjoD-2v7zA:
undetectable		 4zjoD-2v7zA:
21.11
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 THR A 411
ALA A 252
GLU A 387
THR A 290
GLY A 289
 None
GOL  A1491 ( 4.1A)
None
None
None
 1.03A 4zjoD-2xdrA:
undetectable		 4zjoD-2xdrA:
19.62
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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 TYR A  89
SER A 156
GLU A  11
GLU A  32
GLY A  61
 None
 1.42A 4zjoD-2y0kA:
undetectable		 4zjoD-2y0kA:
18.86
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 TYR A 447
SER A 446
SER A 499
ALA A 603
GLU A 437
 None
 1.30A 4zjoD-3ai7A:
undetectable		 4zjoD-3ai7A:
22.46
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.
3clk TRANSCRIPTION
REGULATOR

(Lactobacillus
plantarum) 		PF13377
(Peripla_BP_3) 		5 THR A 282
SER A 330
ASP A 274
THR A 276
GLY A 275
 None
None
GOL  A 500 (-2.8A)
None
None
 1.13A 4zjoD-3clkA:
undetectable		 4zjoD-3clkA:
13.76
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 THR A 171
ALA A 106
ASP A 502
THR A 521
GLY A 561
 None
 1.38A 4zjoD-3djaA:
2.4		 4zjoD-3djaA:
19.75
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 168
SER A 403
ALA A 294
GLU A 356
GLY A 195
 None
K  A 601 ( 4.5A)
None
K  A 601 (-3.4A)
None
 1.09A 4zjoD-3e60A:
undetectable		 4zjoD-3e60A:
19.37
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		5 SER A 238
LYS A 209
GLU A 205
THR A 232
GLY A 231
 None
None
FE  A 401 (-2.0A)
None
None
 1.24A 4zjoD-3hh8A:
undetectable		 4zjoD-3hh8A:
14.46
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 SER A 224
SER A 230
ALA A  77
GLU A 232
GLY A 207
 None
None
LEU  A 500 (-4.0A)
None
None
 1.38A 4zjoD-3ipcA:
undetectable		 4zjoD-3ipcA:
17.02
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 SER A 460
ALA A 453
ASP A 574
THR A 572
GLY A 573
 None
 1.44A 4zjoD-3j08A:
undetectable		 4zjoD-3j08A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 SER A 673
THR A 645
SER A 618
ALA A 815
GLY A 986
 None
 1.36A 4zjoD-3jbyA:
undetectable		 4zjoD-3jbyA:
21.76
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 SER A4310
ALA A4098
GLU A3994
THR A4009
GLY A4010
 None
 1.42A 4zjoD-3kciA:
undetectable		 4zjoD-3kciA:
17.95
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 179
THR A 180
SER A 186
ALA A  87
GLU A  44
 None
 1.47A 4zjoD-3pfoA:
5.4		 4zjoD-3pfoA:
19.51
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.
3pm9 PUTATIVE
OXIDOREDUCTASE

(Rhodopseudomonas
palustris) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 SER A 156
THR A 157
GLU A  42
THR A 150
GLY A  82
 FAD  A 476 (-2.8A)
FAD  A 476 (-3.2A)
None
FAD  A 476 (-3.1A)
FAD  A 476 (-3.3A)
 1.40A 4zjoD-3pm9A:
6.0		 4zjoD-3pm9A:
18.46
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 SER A 128
ALA A 121
ASP A  82
THR A 238
GLY A 241
 None
 1.44A 4zjoD-3tavA:
undetectable		 4zjoD-3tavA:
16.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
LYS A 292
ALA A 618
ASP A 681
GLU A 826
 None
 1.25A 4zjoD-3w9hA:
59.0		 4zjoD-3w9hA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 THR A  93
SER A 134
ALA A 618
ASP A 681
GLU A 826
 None
 1.42A 4zjoD-3w9hA:
59.0		 4zjoD-3w9hA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		8 TYR A  77
SER A  79
THR A  91
LYS A 292
ASP A 681
GLU A 826
THR A 860
GLY A 861
 None
 0.72A 4zjoD-3w9hA:
59.0		 4zjoD-3w9hA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		8 TYR A  77
THR A  91
SER A 134
LYS A 292
ASP A 681
GLU A 826
THR A 860
GLY A 861
 None
 0.77A 4zjoD-3w9hA:
59.0		 4zjoD-3w9hA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		7 TYR A  77
SER A  79
THR A  91
ASP A 681
GLU A 825
THR A 859
GLY A 860
 None
 0.66A 4zjoD-3w9iA:
51.9		 4zjoD-3w9iA:
69.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		7 TYR A  77
SER A  79
THR A  91
GLU A 673
ASP A 681
THR A 859
GLY A 860
 None
 1.21A 4zjoD-3w9iA:
51.9		 4zjoD-3w9iA:
69.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		7 TYR A  77
SER A  79
THR A  91
LYS A 292
GLU A 825
THR A 859
GLY A 860
 None
 0.80A 4zjoD-3w9iA:
51.9		 4zjoD-3w9iA:
69.59
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 THR A 484
ALA A 239
GLU A 182
ASP A 473
GLY A 475
 None
None
None
None
EDO  A1517 (-4.4A)
 1.31A 4zjoD-3zmrA:
undetectable		 4zjoD-3zmrA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ei8 PLASMID REPLICATION
PROTEIN REPX

(Bacillus cereus) 		PF00091
(Tubulin) 		5 SER A 208
THR A 205
ALA A  35
THR A 149
GLY A 120
 None
 1.17A 4zjoD-4ei8A:
undetectable		 4zjoD-4ei8A:
17.03
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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		5 SER A  32
THR A  64
SER A  77
GLU A  79
GLY A  85
 None
 1.18A 4zjoD-4gijA:
undetectable		 4zjoD-4gijA:
15.93
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.
4hf7 PUTATIVE
ACYLHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		5 SER A  90
THR A 130
ALA A 156
THR A 122
GLY A 123
 None
 1.33A 4zjoD-4hf7A:
undetectable		 4zjoD-4hf7A:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 175
SER A 411
ALA A 301
GLU A 364
GLY A 202
 None
K  A 501 ( 4.6A)
None
K  A 501 (-3.6A)
None
 1.08A 4zjoD-4jgaA:
undetectable		 4zjoD-4jgaA:
19.26
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 TYR A 131
SER A 591
GLU A 975
THR A 132
GLY A 735
 None
 1.42A 4zjoD-4lglA:
2.1		 4zjoD-4lglA:
22.67
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.
4ppy PUTATIVE
ACYLHYDROLASE

(Bacteroides
fragilis) 		PF13472
(Lipase_GDSL_2) 		5 SER A  88
THR A 128
ALA A 154
THR A 120
GLY A 121
 None
 1.28A 4zjoD-4ppyA:
undetectable		 4zjoD-4ppyA:
12.20
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 THR A 293
SER A 298
ALA A  75
THR A 101
GLY A 100
 None
 1.38A 4zjoD-4qa9A:
undetectable		 4zjoD-4qa9A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		5 SER A 264
ALA A 107
GLU A 196
THR A 181
GLY A 188
 None
None
FE2  A 365 (-2.0A)
None
None
 1.44A 4zjoD-4v0jA:
undetectable		 4zjoD-4v0jA:
16.52
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 TYR A 265
ALA A  28
GLU A 419
ASP A 234
THR A 237
 None
 1.46A 4zjoD-5b47A:
2.8		 4zjoD-5b47A:
21.51
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.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 5 THR A  70
ALA A  51
ASP A  36
THR A  39
GLY A  59
 None
None
SAM  A 301 ( 4.7A)
None
None
 1.32A 4zjoD-5bw4A:
undetectable		 4zjoD-5bw4A:
13.88
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		5 TYR A 207
SER A 296
LYS A 480
GLU A 428
GLY A 434
 None
 1.48A 4zjoD-5e3xA:
undetectable		 4zjoD-5e3xA:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
LYS A 292
ALA A 618
ASP A 681
GLU A 826
 None
 1.28A 4zjoD-5enoA:
45.6		 4zjoD-5enoA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 THR A  93
SER A 134
ALA A 618
ASP A 681
GLU A 826
 None
 1.27A 4zjoD-5enoA:
45.6		 4zjoD-5enoA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		9 TYR A  77
SER A  79
THR A  91
SER A 134
LYS A 292
ASP A 681
GLU A 826
THR A 860
GLY A 861
 None
 0.63A 4zjoD-5enoA:
45.6		 4zjoD-5enoA:
72.80
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 SER A 301
ALA A 447
ASP A 458
GLU A 296
GLY A 294
 None
 1.28A 4zjoD-5fn4A:
undetectable		 4zjoD-5fn4A:
21.36
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 SER A 290
THR A 102
SER A 116
ALA A 167
GLY A  94
 None
 1.44A 4zjoD-5jd4A:
0.3		 4zjoD-5jd4A:
15.27
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.
5odw PYOCIN-S2

(Pseudomonas
aeruginosa) 		no annotation 5 THR C  14
SER C 168
ALA C 174
GLU C  79
GLY C  19
 None
 1.48A 4zjoD-5odwC:
undetectable		 4zjoD-5odwC:
11.78
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.
5t1q N-ACETYLMURAMOYL-L-A
LANINE AMIDASE
DOMAIN-CONTAINING
PROTEIN
SAOUHSC_02979

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase)
PF05257
(CHAP) 		5 SER A 317
THR A 320
ALA A 359
GLU A 352
GLU A 501
 None
 1.30A 4zjoD-5t1qA:
undetectable		 4zjoD-5t1qA:
14.63
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 SER G 388
THR G 387
SER G 375
GLU G 370
GLY G 366
 NAG  G 653 (-3.0A)
None
None
None
NAG  G 653 ( 4.6A)
 1.39A 4zjoD-5wduG:
undetectable		 4zjoD-5wduG:
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.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		5 THR A  72
ALA A 154
ASP A 177
GLU A 181
GLY A 174
 None
None
None
None
PO4  A 303 (-3.5A)
 1.26A 4zjoD-5wq3A:
undetectable		 4zjoD-5wq3A:
13.23
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas;
Desulfovibrio
gigas) 		no annotation
no annotation 		5 SER B  64
SER A  35
ASP B 105
THR B 106
GLY B 107
 None
FAD  A 701 (-3.3A)
None
None
None
 1.35A 4zjoD-5xmjB:
undetectable		 4zjoD-5xmjB:
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 THR A 147
ALA A 249
GLU A 192
THR A  18
GLY A  17
 None
 1.13A 4zjoD-5yvsA:
undetectable		 4zjoD-5yvsA:
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.
6dft -

(-) 		no annotation 5 TYR B  70
SER B 194
ALA B 181
THR B  97
GLY B 101
 None
 1.27A 4zjoD-6dftB:
undetectable		 4zjoD-6dftB:
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.
6dft -

(-) 		no annotation 5 TYR B  70
SER B 194
ALA B 182
THR B  97
GLY B 101
 None
 1.40A 4zjoD-6dftB:
undetectable		 4zjoD-6dftB:
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 TYR A 376
ALA A 240
GLU A 311
THR A 282
GLY A 281
 BJ8  A 501 (-4.8A)
None
None
BJ8  A 501 (-3.9A)
None
 1.43A 4zjoD-6enoA:
undetectable		 4zjoD-6enoA:
undetectable