SIMILAR PATTERNS OF AMINO ACIDS FOR 3JQA_B_DX4B270_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.
1ihp PHYTASE

(Aspergillus
ficuum) 		PF00328
(His_Phos_2) 		4 SER A 116
PHE A 120
TYR A 385
PRO A 133
 None
 1.46A 3jqaB-1ihpA:
undetectable		 3jqaB-1ihpA:
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.
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 3jqaB-1jmzA:
undetectable		 3jqaB-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
 1.43A 3jqaB-1jneA:
3.3		 3jqaB-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
 1.44A 3jqaB-1lfwA:
undetectable		 3jqaB-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
 1.36A 3jqaB-1mqqA:
2.3		 3jqaB-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)
 0.25A 3jqaB-1mxfA:
43.0		 3jqaB-1mxfA:
56.85
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)
 0.28A 3jqaB-1p33A:
41.5		 3jqaB-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
 1.48A 3jqaB-1pw4A:
undetectable		 3jqaB-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
 1.50A 3jqaB-1q2eA:
undetectable		 3jqaB-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
 1.35A 3jqaB-1sfnA:
undetectable		 3jqaB-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.
1ska 3-PHYTASE A

(Aspergillus
fumigatus) 		PF00328
(His_Phos_2) 		4 SER A 116
PHE A 120
TYR A 385
PRO A 133
 None
 1.47A 3jqaB-1skaA:
undetectable		 3jqaB-1skaA:
21.92
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		4 ARG A 322
SER A 222
ASP A 118
PRO A 294
 None
 1.30A 3jqaB-1xfiA:
3.0		 3jqaB-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)
 1.33A 3jqaB-1xkpA:
undetectable		 3jqaB-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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 PHE A 105
ASP A  65
TYR A 110
PRO A 201
 None
 1.45A 3jqaB-1xpgA:
2.5		 3jqaB-1xpgA:
17.31
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.
2bov RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A 113
PHE A  83
ASP A  74
TYR A  82
 None
 1.46A 3jqaB-2bovA:
3.9		 3jqaB-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
 1.27A 3jqaB-2es4D:
undetectable		 3jqaB-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.
2f8a GLUTATHIONE
PEROXIDASE 1

(Homo sapiens) 		PF00255
(GSHPx) 		4 SER A 135
ASP A 189
TYR A 177
PRO A 173
 None
 1.46A 3jqaB-2f8aA:
undetectable		 3jqaB-2f8aA:
24.65
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.
2j63 AP-ENDONUCLEASE

(Leishmania
major) 		PF03372
(Exo_endo_phos) 		4 PHE A 115
ASP A 425
TYR A 385
PRO A 430
 None
 1.36A 3jqaB-2j63A:
2.1		 3jqaB-2j63A:
23.77
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		4 SER A 118
PHE A 114
ASP A 130
PRO A 107
 None
 1.35A 3jqaB-2o3iA:
undetectable		 3jqaB-2o3iA:
24.03
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.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 ARG A 528
PHE A 355
ASP A 523
PRO A 518
 None
None
EDO  A 710 (-3.1A)
None
 1.36A 3jqaB-2q66A:
undetectable		 3jqaB-2q66A:
19.81
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)
 0.16A 3jqaB-2qhxA:
40.7		 3jqaB-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.
2qnt UNCHARACTERIZED
PROTEIN ATU1872

(Agrobacterium
fabrum) 		PF12681
(Glyoxalase_2) 		4 PHE A  42
ASP A 110
TYR A  20
PRO A   6
 None
 1.35A 3jqaB-2qntA:
undetectable		 3jqaB-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 3jqaB-2rkcA:
undetectable		 3jqaB-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.
2v24 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 4

(Homo sapiens) 		PF00622
(SPRY) 		4 ARG A 109
SER A 147
PHE A 171
PRO A 174
 None
 1.25A 3jqaB-2v24A:
undetectable		 3jqaB-2v24A:
23.32
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.
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
 1.15A 3jqaB-2xe4A:
2.7		 3jqaB-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
 1.19A 3jqaB-2xt6A:
undetectable		 3jqaB-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.
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 3jqaB-2yg1A:
undetectable		 3jqaB-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.
2z67 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Methanococcus
maripaludis) 		PF05889
(SepSecS) 		4 ARG A 268
SER A 291
PHE A 296
PRO A 243
 None
 1.40A 3jqaB-2z67A:
3.9		 3jqaB-2z67A:
25.11
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		4 PHE B 311
ASP B 334
TYR B 314
PRO B  54
 None
 1.37A 3jqaB-3a0hB:
undetectable		 3jqaB-3a0hB:
21.74
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 4 ARG A 227
SER A 289
TYR A 337
PRO A 165
 None
None
MPD  A 402 (-4.5A)
MPD  A 402 (-4.3A)
 1.32A 3jqaB-3a71A:
undetectable		 3jqaB-3a71A:
20.88
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.
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 3jqaB-3a98A:
undetectable		 3jqaB-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 3jqaB-3alxA:
undetectable		 3jqaB-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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ARG A 256
SER A 249
ASP A 244
PRO A  76
 None
 1.49A 3jqaB-3anxA:
5.5		 3jqaB-3anxA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 3jqaB-3e9lA:
undetectable		 3jqaB-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
 1.37A 3jqaB-3fawA:
undetectable		 3jqaB-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.
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
 1.43A 3jqaB-3fkdA:
undetectable		 3jqaB-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
 1.18A 3jqaB-3floA:
undetectable		 3jqaB-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.
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
 1.30A 3jqaB-3hv1A:
undetectable		 3jqaB-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.
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
 1.31A 3jqaB-3lvvA:
undetectable		 3jqaB-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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 PHE A 407
ASP A 356
TYR A 401
PRO A 269
 None
 1.35A 3jqaB-3r0zA:
2.8		 3jqaB-3r0zA:
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.
3rfb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF13185
(GAF_2) 		4 PHE A  42
ASP A 139
TYR A  10
PRO A  43
 None
 1.34A 3jqaB-3rfbA:
undetectable		 3jqaB-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
 1.24A 3jqaB-3s9fA:
undetectable		 3jqaB-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.
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
 1.06A 3jqaB-3uuwA:
7.9		 3jqaB-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.
3v0a LLAMA ANTIBODY F12

(Lama glama) 		PF07686
(V-set) 		4 ARG C  71
SER C  35
TYR C  99
PRO C  53
 None
 1.18A 3jqaB-3v0aC:
undetectable		 3jqaB-3v0aC:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 3jqaB-3v4oA:
5.5		 3jqaB-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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 SER A  28
ASP A 712
TYR A  13
PRO A  25
 None
 1.29A 3jqaB-3w5nA:
undetectable		 3jqaB-3w5nA:
14.16
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.
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
 1.27A 3jqaB-3wmeA:
undetectable		 3jqaB-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
 1.28A 3jqaB-3ze7B:
undetectable		 3jqaB-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.
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
 1.16A 3jqaB-4c22A:
7.0		 3jqaB-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.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 PHE A 102
ASP A 292
TYR A 290
PRO A  96
 None
 1.36A 3jqaB-4e2sA:
undetectable		 3jqaB-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.
4g56 HSL7 PROTEIN
MGC81050 PROTEIN

(Xenopus laevis;
Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C)
PF00400
(WD40) 		4 SER B 138
PHE B 137
ASP B 116
PRO A 155
 None
 1.37A 3jqaB-4g56B:
undetectable		 3jqaB-4g56B:
24.66
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.
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 3jqaB-4gypC:
undetectable		 3jqaB-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
 1.42A 3jqaB-4hn8A:
undetectable		 3jqaB-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
 1.01A 3jqaB-4i1pA:
5.2		 3jqaB-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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 SER A 433
PHE A 430
ASP A 202
TYR A 198
 None
 1.13A 3jqaB-4ifqA:
undetectable		 3jqaB-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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 ARG A   8
SER A  44
ASP A 647
TYR A  41
 None
 1.05A 3jqaB-4jzaA:
undetectable		 3jqaB-4jzaA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 3jqaB-4o4xA:
undetectable		 3jqaB-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
 1.22A 3jqaB-4ohnA:
undetectable		 3jqaB-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
 1.06A 3jqaB-4oj5A:
undetectable		 3jqaB-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 3jqaB-4pwsA:
undetectable		 3jqaB-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
 1.46A 3jqaB-4pxqA:
undetectable		 3jqaB-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.
4tzn PROTEIN HTP-2

(Caenorhabditis
elegans) 		PF02301
(HORMA) 		4 SER A 166
ASP A  17
TYR A 161
PRO A  29
 None
 1.31A 3jqaB-4tznA:
undetectable		 3jqaB-4tznA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tzo PROTEIN HTP-1

(Caenorhabditis
elegans) 		PF02301
(HORMA) 		4 SER A 166
ASP A  17
TYR A 161
PRO A  29
 None
 1.33A 3jqaB-4tzoA:
undetectable		 3jqaB-4tzoA:
20.59
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)
 0.30A 3jqaB-4wcdA:
44.9		 3jqaB-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
 1.15A 3jqaB-4wvaA:
undetectable		 3jqaB-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 3jqaB-4xebA:
undetectable		 3jqaB-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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		4 SER A 371
ASP A 213
TYR A 144
PRO A 176
 None
 1.49A 3jqaB-4zzqA:
undetectable		 3jqaB-4zzqA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		4 PHE A 197
ASP A 233
TYR A 377
PRO A 195
 None
 1.49A 3jqaB-5bukA:
3.9		 3jqaB-5bukA:
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 4 ARG B 469
SER B 749
PHE B 704
TYR B 722
 None
 1.11A 3jqaB-5efnB:
5.2		 3jqaB-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
 1.09A 3jqaB-5fxvA:
undetectable		 3jqaB-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
 1.46A 3jqaB-5im2A:
undetectable		 3jqaB-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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 PHE A 101
ASP A 137
TYR A  79
PRO A 102
 None
 1.42A 3jqaB-5im2A:
undetectable		 3jqaB-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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 SER A 505
PHE A 522
TYR A 520
PRO A 557
 None
 1.40A 3jqaB-5jouA:
undetectable		 3jqaB-5jouA:
15.69
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.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A  84
SER A  86
PHE A 133
PRO A 136
 None
 1.47A 3jqaB-5kiaA:
8.0		 3jqaB-5kiaA:
24.46
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.
5ori ALBUMIN

(Capra hircus) 		no annotation 4 ARG A 336
SER A 328
ASP A 311
PRO A 302
 None
 1.41A 3jqaB-5oriA:
undetectable		 3jqaB-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
 0.53A 3jqaB-5tgdA:
31.9		 3jqaB-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
 0.91A 3jqaB-5v6cA:
undetectable		 3jqaB-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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 4 SER A 410
PHE A 415
ASP A 378
PRO A  44
 None
 1.26A 3jqaB-5x7nA:
2.1		 3jqaB-5x7nA:
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.
5xnm PHOTOSYSTEM II CP47
REACTION CENTER
PROTEIN

(Pisum sativum) 		no annotation 4 PHE B 311
ASP B 334
TYR B 314
PRO B  54
 None
 1.37A 3jqaB-5xnmB:
undetectable		 3jqaB-5xnmB:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 4 SER A 360
PHE A 328
TYR A 337
PRO A  35
 None
 1.42A 3jqaB-5z5dA:
undetectable		 3jqaB-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.
6guo -

(-) 		no annotation 4 ARG A 244
SER A 285
ASP A 280
PRO A 230
 CL  A 404 (-3.3A)
None
None
CL  A 404 ( 4.8A)
 1.44A 3jqaB-6guoA:
4.4		 3jqaB-6guoA:
undetectable