SIMILAR PATTERNS OF AMINO ACIDS FOR 3JQA_D_DX4D270_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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		4 SER A 101
ASP A 170
TYR A 118
PRO A 113
 None
 1.48A 3jqaD-1dquA:
2.0		 3jqaD-1dquA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 ARG A 110
ASP A  51
TYR A 103
PRO A 357
 None
 1.35A 3jqaD-1eceA:
2.4		 3jqaD-1eceA:
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 SER A 305
PHE A 292
TYR A 339
PRO A 284
 None
 1.18A 3jqaD-1hcuA:
undetectable		 3jqaD-1hcuA:
20.08
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.
1iu4 MICROBIAL
TRANSGLUTAMINASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 ARG A 307
SER A 116
PHE A  90
PRO A 220
 None
 1.32A 3jqaD-1iu4A:
undetectable		 3jqaD-1iu4A:
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 PHE A 506
ASP A 348
TYR A 372
PRO A 526
 None
 1.33A 3jqaD-1j3bA:
undetectable		 3jqaD-1j3bA:
20.60
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.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida;
Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII)
no annotation
PF08992
(QH-AmDH_gamma) 		4 ARG A 140
PHE B 258
ASP G  33
TYR B 298
 None
PND  G 101 ( 4.6A)
PND  G 101 (-3.1A)
PND  G 101 (-4.4A)
 1.50A 3jqaD-1jmzA:
undetectable		 3jqaD-1jmzA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		4 PHE A 394
ASP A 128
TYR A   7
PRO A 197
 None
 1.44A 3jqaD-1jneA:
3.3		 3jqaD-1jneA:
20.71
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 PHE A 444
ASP A 107
TYR A 113
PRO A 435
 None
 1.45A 3jqaD-1lfwA:
undetectable		 3jqaD-1lfwA:
21.73
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.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 PHE A 663
ASP A 533
TYR A 662
PRO A 515
 None
 1.39A 3jqaD-1mqqA:
2.4		 3jqaD-1mqqA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		5 ARG A  22
SER A 103
ASP A 169
TYR A 182
PRO A 218
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
 0.46A 3jqaD-1mxfA:
42.7		 3jqaD-1mxfA:
56.85
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ARG A 572
PHE A 640
TYR A 840
PRO A 875
 None
 1.30A 3jqaD-1n7rA:
undetectable		 3jqaD-1n7rA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
PRO A 230
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
 0.39A 3jqaD-1p33A:
41.6		 3jqaD-1p33A:
48.53
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.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		4 SER A 292
PHE A 176
TYR A  54
PRO A 193
 None
 1.50A 3jqaD-1pw4A:
undetectable		 3jqaD-1pw4A:
22.27
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 SER A 365
ASP A 214
TYR A 145
PRO A 177
 None
GLC  A 904 (-3.9A)
None
None
 1.49A 3jqaD-1q2eA:
undetectable		 3jqaD-1q2eA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfn CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF05899
(Cupin_3) 		4 PHE A1050
ASP A1239
TYR A1237
PRO A1042
 None
 1.37A 3jqaD-1sfnA:
undetectable		 3jqaD-1sfnA:
23.62
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		4 ARG A 322
SER A 222
ASP A 118
PRO A 294
 None
 1.30A 3jqaD-1xfiA:
2.7		 3jqaD-1xfiA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkp PUTATIVE
MEMBRANE-BOUND YOP
TARGETING PROTEIN
YOPN

(Yersinia pestis) 		PF07201
(HrpJ) 		4 ARG A 186
ASP A 242
TYR A 202
PRO A 182
 None
None
None
MLY  A  93 ( 4.8A)
 1.29A 3jqaD-1xkpA:
undetectable		 3jqaD-1xkpA:
22.68
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.
2bov RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A 113
PHE A  83
ASP A  74
TYR A  82
 None
 1.49A 3jqaD-2bovA:
4.0		 3jqaD-2bovA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2es4 LIPASE CHAPERONE

(Burkholderia
glumae) 		PF03280
(Lipase_chap) 		4 PHE D 180
ASP D  90
TYR D 132
PRO D 179
 None
 1.19A 3jqaD-2es4D:
undetectable		 3jqaD-2es4D:
24.63
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 ARG A 479
PHE A 214
TYR A 262
PRO A 212
 None
 1.28A 3jqaD-2inrA:
undetectable		 3jqaD-2inrA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1w ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 363
ASP A 367
TYR A 359
PRO A 394
 None
 1.43A 3jqaD-2o1wA:
undetectable		 3jqaD-2o1wA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
 0.21A 3jqaD-2qhxA:
40.8		 3jqaD-2qhxA:
49.09
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.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		4 SER A 317
ASP A 159
TYR A 289
PRO A 226
 None
CA  A 350 ( 4.5A)
None
None
 1.31A 3jqaD-2qm3A:
5.5		 3jqaD-2qm3A:
24.49
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.
2qnt UNCHARACTERIZED
PROTEIN ATU1872

(Agrobacterium
fabrum) 		PF12681
(Glyoxalase_2) 		4 PHE A  42
ASP A 110
TYR A  20
PRO A   6
 None
 1.29A 3jqaD-2qntA:
undetectable		 3jqaD-2qntA:
17.61
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.
2rkc HEMAGGLUTININ

(Measles
morbillivirus) 		PF00423
(HN) 		4 SER A 204
PHE A 270
TYR A 228
PRO A 268
 None
 1.45A 3jqaD-2rkcA:
undetectable		 3jqaD-2rkcA:
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		4 SER A 526
PHE A 520
ASP A 507
PRO A 403
 CL  A1792 (-3.1A)
None
None
None
 1.25A 3jqaD-2w20A:
undetectable		 3jqaD-2w20A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.17A 3jqaD-2xe4A:
2.7		 3jqaD-2xe4A:
19.95
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ARG A 802
SER A 484
ASP A 519
TYR A 481
 None
 1.22A 3jqaD-2xt6A:
2.9		 3jqaD-2xt6A:
13.09
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.
2y8c DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Plasmodium
falciparum) 		PF00692
(dUTPase) 		4 ARG A 100
SER A  93
ASP A 134
PRO A  98
 None
 1.42A 3jqaD-2y8cA:
undetectable		 3jqaD-2y8cA:
20.14
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.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 SER A 373
ASP A 216
TYR A 147
PRO A 179
 None
 1.50A 3jqaD-2yg1A:
undetectable		 3jqaD-2yg1A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CP43
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		4 ARG C 362
SER C 226
ASP C 232
TYR C 212
 None
DGD  C1055 (-3.1A)
None
None
 1.28A 3jqaD-3a0hC:
undetectable		 3jqaD-3a0hC:
20.18
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.
3a98 DEDICATOR OF
CYTOKINESIS PROTEIN
2
ENGULFMENT AND CELL
MOTILITY PROTEIN 1

(Homo sapiens;
Homo sapiens) 		PF07653
(SH3_2)
PF16172
(DOCK_N)
PF16457
(PH_12) 		4 SER A 109
PHE A 114
ASP B 685
TYR A 106
 None
 1.44A 3jqaD-3a98A:
undetectable		 3jqaD-3a98A:
21.33
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Saguinus
oedipus;
Measles
morbillivirus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 SER A 204
PHE A 270
TYR A 228
PRO A 268
 None
 1.41A 3jqaD-3alxA:
undetectable		 3jqaD-3alxA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3avs LYSINE-SPECIFIC
DEMETHYLASE 6A

(Homo sapiens) 		PF02373
(JmjC) 		4 ARG A1142
PHE A1079
ASP A1013
PRO A1007
 None
 0.95A 3jqaD-3avsA:
undetectable		 3jqaD-3avsA:
21.00
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 ARG A 166
SER A   4
ASP A  50
PRO A 162
 None
 1.47A 3jqaD-3b74A:
undetectable		 3jqaD-3b74A:
22.32
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.
3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE

(Homo sapiens) 		PF03403
(PAF-AH_p_II) 		4 SER A 150
PHE A 274
ASP A 181
PRO A 301
 None
 1.41A 3jqaD-3d5eA:
3.9		 3jqaD-3d5eA:
19.30
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.
3e9l PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		4 SER A1928
PHE A1772
TYR A1930
PRO A1812
 CL  A2018 ( 4.8A)
None
None
None
 1.38A 3jqaD-3e9lA:
undetectable		 3jqaD-3e9lA:
22.62
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 SER A1048
ASP A1092
TYR A1094
PRO A1132
 None
 1.31A 3jqaD-3fawA:
2.0		 3jqaD-3fawA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		4 ARG A 513
SER A 570
ASP A 582
PRO A 564
 None
 1.49A 3jqaD-3fgwA:
undetectable		 3jqaD-3fgwA:
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.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 ARG A 319
SER A  98
PHE A  99
ASP A 104
 None
 1.42A 3jqaD-3fkdA:
undetectable		 3jqaD-3fkdA:
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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B
DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N)
PF08996
(zf-DNA_Pol) 		4 ARG A 328
SER B1361
PHE B1363
ASP A 262
 None
 1.21A 3jqaD-3floA:
undetectable		 3jqaD-3floA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A  91
ASP A 297
TYR A 389
PRO A 344
 None
 1.21A 3jqaD-3gdnA:
3.4		 3jqaD-3gdnA:
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		4 ARG A 117
PHE A 234
ASP A  70
TYR A 127
 None
 1.27A 3jqaD-3hv1A:
undetectable		 3jqaD-3hv1A:
22.36
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 ARG A 353
SER A 162
PHE A 136
PRO A 266
 None
 1.36A 3jqaD-3iu0A:
undetectable		 3jqaD-3iu0A:
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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 335
ASP A  73
TYR A 294
PRO A 346
 None
 1.29A 3jqaD-3l22A:
undetectable		 3jqaD-3l22A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 ARG A 313
PHE A 474
TYR A 486
PRO A 473
 LBP  A 693 (-4.2A)
None
None
None
 1.18A 3jqaD-3lvvA:
undetectable		 3jqaD-3lvvA:
18.17
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.
3qqz PUTATIVE
UNCHARACTERIZED
PROTEIN YJIK

(Escherichia
coli) 		PF06977
(SdiA-regulated) 		4 ARG A 130
SER A 103
ASP A 148
PRO A 168
 None
 1.29A 3jqaD-3qqzA:
undetectable		 3jqaD-3qqzA:
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.
3rfb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF13185
(GAF_2) 		4 PHE A  42
ASP A 139
TYR A  10
PRO A  43
 None
 1.28A 3jqaD-3rfbA:
undetectable		 3jqaD-3rfbA:
20.71
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.
3s9f TRYPAREDOXIN

(Leishmania
major) 		PF13905
(Thioredoxin_8) 		4 ARG A  15
SER A  69
PHE A  91
ASP A  76
 MG  A 147 (-4.4A)
None
None
None
 1.29A 3jqaD-3s9fA:
undetectable		 3jqaD-3s9fA:
26.48
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.
3tt3 MOUSE MONOCLONAL
1GG1 FAB FRAGMENT,
KAPPA LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  74
SER H  76
PHE H  29
PRO H  53
 None
 1.49A 3jqaD-3tt3H:
undetectable		 3jqaD-3tt3H:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uuw PUTATIVE
OXIDOREDUCTASE WITH
NAD(P)-BINDING
ROSSMANN-FOLD DOMAIN

(Clostridioides
difficile) 		PF01408
(GFO_IDH_MocA) 		4 SER A 270
PHE A 266
ASP A  93
TYR A  19
 None
 1.04A 3jqaD-3uuwA:
9.2		 3jqaD-3uuwA:
22.89
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.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 ARG A 392
PHE A 424
ASP A 471
TYR A 417
 None
 1.06A 3jqaD-3v4oA:
5.4		 3jqaD-3v4oA:
21.52
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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ARG A 181
SER A 236
ASP A 402
TYR A 233
 None
 1.26A 3jqaD-3wmeA:
undetectable		 3jqaD-3wmeA:
20.03
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 ARG B  26
PHE B 130
ASP B 147
TYR B 232
 None
 1.32A 3jqaD-3ze7B:
undetectable		 3jqaD-3ze7B:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		4 SER A 140
ASP A 161
TYR A  59
PRO A 145
 None
 1.17A 3jqaD-3zpxA:
3.9		 3jqaD-3zpxA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 SER A 444
PHE A 443
ASP A 241
PRO A 308
 None
 1.29A 3jqaD-4c22A:
7.8		 3jqaD-4c22A:
20.72
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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		4 ARG A 517
PHE A 217
TYR A 266
PRO A 215
 None
 1.33A 3jqaD-4ckkA:
undetectable		 3jqaD-4ckkA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 ARG A 483
PHE A 218
TYR A 266
PRO A 216
 None
 1.33A 3jqaD-4ddqA:
undetectable		 3jqaD-4ddqA:
20.44
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.
4dvg RHO-LIKE SMALL
GTPASE
DIAPHANOUS PROTEIN

(Entamoeba
histolytica;
Entamoeba
histolytica) 		PF00071
(Ras)
PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 ARG A  83
SER B 162
PHE B 163
ASP B 113
 None
 1.41A 3jqaD-4dvgA:
5.9		 3jqaD-4dvgA:
23.47
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.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 PHE A 102
ASP A 292
TYR A 290
PRO A  96
 None
 1.38A 3jqaD-4e2sA:
undetectable		 3jqaD-4e2sA:
21.27
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.
4gyp GLUCARATE
DEHYDRATASE-RELATED
PROTEIN

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG C 421
SER C 339
ASP C 234
TYR C 149
 CIT  C 501 (-2.9A)
None
None
None
 1.43A 3jqaD-4gypC:
undetectable		 3jqaD-4gypC:
23.17
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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		4 ARG A 439
SER A 357
ASP A 252
TYR A 167
 GOL  A 502 (-3.5A)
None
None
None
 1.43A 3jqaD-4hn8A:
undetectable		 3jqaD-4hn8A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 ARG A 392
PHE A 424
ASP A 471
TYR A 417
 ACT  A 804 ( 2.9A)
None
None
None
 0.96A 3jqaD-4i1pA:
5.4		 3jqaD-4i1pA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		4 ARG A1478
PHE A1213
TYR A1261
PRO A1211
 None
 1.30A 3jqaD-4i3hA:
undetectable		 3jqaD-4i3hA:
13.28
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 SER A 433
PHE A 430
ASP A 202
TYR A 198
 None
 1.12A 3jqaD-4ifqA:
undetectable		 3jqaD-4ifqA:
13.37
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.
4kyi VIPD

(Legionella
pneumophila) 		PF01734
(Patatin) 		4 ARG A 112
SER A 107
ASP A 116
PRO A 277
 None
 1.49A 3jqaD-4kyiA:
undetectable		 3jqaD-4kyiA:
19.16
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.
4mit RHO FAMILY GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		4 SER A  31
ASP A  64
TYR A  47
PRO A  36
 None
MG  A 202 ( 4.1A)
None
None
 1.43A 3jqaD-4mitA:
5.4		 3jqaD-4mitA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mje PROBABLE
GLUTAREDOXIN SSR2061

(Synechocystis
sp. PCC 6803) 		PF00462
(Glutaredoxin) 		4 SER A  67
PHE A  28
ASP A  82
PRO A  27
 None
SO4  A 102 (-4.1A)
SO4  A 102 (-3.6A)
None
 1.48A 3jqaD-4mjeA:
undetectable		 3jqaD-4mjeA:
18.77
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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 SER A 252
PHE A 250
ASP A 155
PRO A 165
 None
 1.41A 3jqaD-4o4xA:
undetectable		 3jqaD-4o4xA:
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.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 ARG A 112
PHE A 229
ASP A  65
TYR A 122
 HIS  A 301 ( 3.0A)
HIS  A 301 ( 4.8A)
None
None
 1.20A 3jqaD-4ohnA:
undetectable		 3jqaD-4ohnA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 4 SER A 500
PHE A 493
TYR A 520
PRO A 480
 None
 1.00A 3jqaD-4oj5A:
undetectable		 3jqaD-4oj5A:
16.28
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.
4pws PROLINE-RICH 28 KDA
ANTIGEN

(Mycobacterium
tuberculosis) 		PF10738
(Lpp-LpqN) 		4 ARG A 229
SER A 244
ASP A 148
TYR A 171
 None
 1.19A 3jqaD-4pwsA:
undetectable		 3jqaD-4pwsA:
23.08
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 ARG A 424
PHE A 488
TYR A 506
PRO A 139
 None
 1.44A 3jqaD-4pxqA:
undetectable		 3jqaD-4pxqA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgr DEGT/DNRJ/ERYC1/STRS
AMINOTRANSFERASE

(Brucella
abortus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ARG A 297
SER A 291
TYR A 108
PRO A 342
 None
 1.43A 3jqaD-4qgrA:
3.7		 3jqaD-4qgrA:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		6 ARG A  14
SER A  95
PHE A  97
ASP A 161
TYR A 174
PRO A 210
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
3KH  A 302 ( 4.0A)
 0.23A 3jqaD-4wcdA:
45.4		 3jqaD-4wcdA:
93.06
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 ARG A 176
SER A 228
PHE A 230
PRO A 173
 None
 1.04A 3jqaD-4wvaA:
undetectable		 3jqaD-4wvaA:
19.76
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.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		4 SER A 369
ASP A 211
TYR A 142
PRO A 174
 CE6  A 505 (-2.7A)
K  A 506 ( 4.7A)
CE6  A 505 (-4.3A)
None
 1.46A 3jqaD-4xebA:
undetectable		 3jqaD-4xebA:
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.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ARG A1478
PHE A1213
TYR A1261
PRO A1211
 None
 1.31A 3jqaD-4z3oA:
undetectable		 3jqaD-4z3oA:
17.23
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.
5buv PUTATIVE EPIMERASE

(Yersinia
enterocolitica) 		PF00908
(dTDP_sugar_isom) 		4 ARG A 109
SER A  22
PHE A  21
PRO A  19
 None
 1.29A 3jqaD-5buvA:
undetectable		 3jqaD-5buvA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		4 SER A 110
ASP A 179
TYR A 127
PRO A 122
 None
MG  A 603 ( 4.9A)
None
None
 1.50A 3jqaD-5e9gA:
2.6		 3jqaD-5e9gA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 4 ARG B 469
SER B 749
PHE B 704
TYR B 722
 None
 1.13A 3jqaD-5efnB:
3.0		 3jqaD-5efnB:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fxv HISTONE DEMETHYLASE
UTY

(Homo sapiens) 		PF02373
(JmjC) 		4 ARG A1089
PHE A1026
ASP A 960
PRO A 954
 None
 0.95A 3jqaD-5fxvA:
undetectable		 3jqaD-5fxvA:
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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 ARG A 103
PHE A 101
ASP A 137
TYR A  79
 None
 1.48A 3jqaD-5im2A:
undetectable		 3jqaD-5im2A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 PHE A 443
ASP A 453
TYR A 448
PRO A 411
 None
 1.48A 3jqaD-5jwfA:
undetectable		 3jqaD-5jwfA:
17.71
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.
5ku7 TIR-NB-LRR TYPE
RESISTANCE PROTEIN
RPV1

(Vitis
rotundifolia) 		PF01582
(TIR) 		4 SER A  29
PHE A  84
TYR A  88
PRO A 114
 None
 1.48A 3jqaD-5ku7A:
6.2		 3jqaD-5ku7A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 ARG B  87
ASP B 114
TYR B 224
PRO B 132
 None
 1.35A 3jqaD-5l9wB:
undetectable		 3jqaD-5l9wB:
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.
5ori ALBUMIN

(Capra hircus) 		no annotation 4 ARG A 336
SER A 328
ASP A 311
PRO A 302
 None
 1.39A 3jqaD-5oriA:
undetectable		 3jqaD-5oriA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 ARG A  31
SER A 105
PHE A 107
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.47A 3jqaD-5tgdA:
32.2		 3jqaD-5tgdA:
31.65
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.
5v6c HEMOLYSIN-RELATED
PROTEIN

(Vibrio cholerae) 		no annotation 4 ARG A 876
SER A 918
PHE A 850
TYR A 921
 None
None
GOL  A1001 (-4.7A)
None
 0.87A 3jqaD-5v6cA:
undetectable		 3jqaD-5v6cA:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 4 SER A 360
PHE A 328
TYR A 337
PRO A  35
 None
 1.40A 3jqaD-5z5dA:
undetectable		 3jqaD-5z5dA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 4 SER A 234
PHE A 238
TYR A 249
PRO A 292
 None
 1.47A 3jqaD-6bqcA:
5.4		 3jqaD-6bqcA:
undetectable