SIMILAR PATTERNS OF AMINO ACIDS FOR 3JZJ_A_ACRA405_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLU A 262
GLY A 180
ALA A  74
ASP A 568
ARG A 580
 None
None
FLC  A 756 ( 3.8A)
FLC  A 756 ( 4.7A)
FLC  A 756 (-3.3A)
 1.28A 3jzjA-1b0kA:
0.0		 3jzjA-1b0kA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A   3
ARG A   7
ASP A 125
GLY A 203
ASN A  66
 None
 1.35A 3jzjA-1b25A:
0.0		 3jzjA-1b25A:
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		5 GLU B 544
GLY B  36
ASP B 519
ASP B 497
GLY B 502
 None
 1.42A 3jzjA-1cp9B:
0.0		 3jzjA-1cp9B:
20.76
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 GLY A 271
ALA A 234
ASP A 296
GLY A 417
ASN A 229
 None
 1.32A 3jzjA-1cu1A:
0.0		 3jzjA-1cu1A:
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A 794
ARG A 786
ASP A 908
ASP A 997
GLY A 547
 None
 1.28A 3jzjA-1f4hA:
0.0		 3jzjA-1f4hA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 GLY A 109
ALA A 211
ASP A 105
GLY A 188
ARG A 198
 None
 1.31A 3jzjA-1itkA:
0.0		 3jzjA-1itkA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 PHE A 225
GLU A 194
ASP A 203
ASP A 182
GLY A 193
 None
 1.43A 3jzjA-1kt1A:
undetectable		 3jzjA-1kt1A:
21.72
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.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 GLU A  50
PHE A  95
GLY A  94
ARG A  18
GLY A  40
 None
 1.14A 3jzjA-1n2fA:
undetectable		 3jzjA-1n2fA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot8 NEUROGENIC LOCUS
NOTCH PROTEIN

(Drosophila
melanogaster) 		PF12796
(Ank_2) 		5 ARG A 127
ALA A 146
ASP A 117
ASP A 182
GLY A 118
 None
 1.36A 3jzjA-1ot8A:
undetectable		 3jzjA-1ot8A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  84
GLU A  62
ALA A 149
ASP A  41
ARG A 331
 None
 1.27A 3jzjA-1rjwA:
undetectable		 3jzjA-1rjwA:
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 GLU A 105
GLU A 223
ALA A 214
ASP A 183
GLY A 184
 None
 1.33A 3jzjA-1svvA:
undetectable		 3jzjA-1svvA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 PHE A 335
GLY A 362
ASP A 386
GLY A 383
ASN A 378
 None
 1.31A 3jzjA-1v02A:
undetectable		 3jzjA-1v02A:
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.
1v29 NITRILE HYDRATASE A
CHAIN
NITRILE HYDRATASE B
CHAIN

(Bacillus
smithii) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		5 PHE B  13
GLY B  12
ARG A 144
GLY B   3
ARG B 163
 None
 1.36A 3jzjA-1v29B:
undetectable		 3jzjA-1v29B:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 GLU A 284
ALA A 179
TRP A  14
GLY A  98
ASN A 203
 None
 1.24A 3jzjA-1wnoA:
undetectable		 3jzjA-1wnoA:
21.78
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 GLU A 189
GLY A 244
ALA A  49
ASP A  17
GLY A  12
 MG  A1302 ( 4.1A)
None
None
ADN  A1301 (-2.8A)
None
 1.13A 3jzjA-2c49A:
undetectable		 3jzjA-2c49A:
22.07
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLU A 292
GLY A 189
ARG A 334
GLY A 169
ARG A 173
 None
 1.43A 3jzjA-2dc0A:
1.2		 3jzjA-2dc0A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 365
ALA A 394
ASP A 338
GLY A 340
ASN A 391
 None
 1.23A 3jzjA-2h2qA:
undetectable		 3jzjA-2h2qA:
20.52
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.
2kjq DNAA-RELATED PROTEIN

(Neisseria
meningitidis) 		no annotation 5 GLY A  64
GLU A  85
TRP A  56
GLY A 116
ARG A 109
 None
 1.14A 3jzjA-2kjqA:
undetectable		 3jzjA-2kjqA:
20.00
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.
2nn6 EXOSOME COMPONENT 6

(Homo sapiens) 		PF01138
(RNase_PH) 		5 GLU F 118
GLY F 227
GLU F 204
ASP F 153
GLY F 155
 None
 1.15A 3jzjA-2nn6F:
undetectable		 3jzjA-2nn6F:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A  40
ARG A 226
ALA A 130
ASP A 138
ARG A 337
 None
 1.40A 3jzjA-2o4vA:
undetectable		 3jzjA-2o4vA:
23.44
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 364
ALA A 393
ASP A 337
GLY A 339
ASN A 390
 None
 1.32A 3jzjA-2oipA:
undetectable		 3jzjA-2oipA:
22.37
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 GLU A 227
PHE A 261
GLY A 232
ALA A 268
GLY A 332
 None
 1.19A 3jzjA-2punA:
undetectable		 3jzjA-2punA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 GLY A 105
GLU A 203
ALA A 260
GLY A 202
ASN A 277
 A2G  A1428 (-3.8A)
A2G  A1428 (-2.7A)
A2G  A1428 (-3.4A)
None
A2G  A1428 ( 2.9A)
 1.30A 3jzjA-2w7yA:
29.0		 3jzjA-2w7yA:
30.07
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 GLU A 276
GLY A  94
ALA A 384
ASP A  91
GLY A  85
 None
 1.12A 3jzjA-2wpgA:
undetectable		 3jzjA-2wpgA:
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLU A 608
GLY A 372
ASP A 552
ASP A 380
GLY A 532
 None
None
TRS  A1733 (-2.8A)
None
GOL  A1734 ( 3.3A)
 1.29A 3jzjA-2xn1A:
undetectable		 3jzjA-2xn1A:
19.35
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLU A 596
GLY A 368
ASP A 540
ASP A 376
GLY A 520
 None
 1.29A 3jzjA-2yfnA:
undetectable		 3jzjA-2yfnA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ypq PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE AROG

(Mycobacterium
tuberculosis) 		PF01474
(DAHP_synth_2) 		5 GLU A 411
GLY A 339
GLU A 283
GLY A 282
ASN A 310
 MN  A1463 (-2.3A)
None
None
PO4  A1466 (-3.3A)
None
 1.32A 3jzjA-2ypqA:
undetectable		 3jzjA-2ypqA:
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 713
GLU A 840
ALA A 838
ASP A 801
GLY A 799
 None
None
None
ZN  A 101 ( 2.5A)
None
 1.42A 3jzjA-3c10A:
undetectable		 3jzjA-3c10A:
22.20
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.
3cfi NANOBODY NBEPSIJ_11
TYPE II SECRETORY
PATHWAY, PSEUDOPILIN
EPSJ

(Lama glama;
Vibrio
vulnificus) 		PF07686
(V-set)
PF11612
(T2SSJ) 		5 GLU B 121
PHE C  27
GLY C  26
ASP B  83
ARG C  71
 None
 0.92A 3jzjA-3cfiB:
undetectable		 3jzjA-3cfiB:
18.00
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 531
ALA A 569
ASP A 576
GLY A  76
ASN A 581
 None
 1.31A 3jzjA-3cmgA:
undetectable		 3jzjA-3cmgA:
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.
3dwl ACTIN-RELATED
PROTEIN 3

(Schizosaccharomyces
pombe) 		PF00022
(Actin) 		5 GLU A 398
GLY A 199
ARG A 177
ALA A 164
GLY A 390
 None
 1.43A 3jzjA-3dwlA:
undetectable		 3jzjA-3dwlA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 GLU A  57
PHE A 142
GLU A 146
ASP A 154
GLY A 379
 None
None
None
None
CL  A 395 ( 4.3A)
 1.09A 3jzjA-3gcfA:
undetectable		 3jzjA-3gcfA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 GLU A 288
GLY A  44
GLU A 279
ALA A 350
GLY A 256
 None
None
UPG  A 484 (-2.7A)
UPG  A 484 ( 4.2A)
UPG  A 484 (-3.5A)
 1.33A 3jzjA-3gueA:
1.5		 3jzjA-3gueA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 PHE A 428
GLY A 520
ARG A 445
GLY A 410
ASN A 484
 None
 1.20A 3jzjA-3h7lA:
undetectable		 3jzjA-3h7lA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 454
ARG A 449
ALA A 420
TRP A 334
ARG A 418
 None
 1.31A 3jzjA-3ihvA:
undetectable		 3jzjA-3ihvA:
23.20
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A 192
GLY A 392
ALA A 320
GLY A 316
ASN A 374
 MG  A 500 ( 2.5A)
CAP  A 600 (-3.8A)
None
None
None
 1.22A 3jzjA-3kdnA:
undetectable		 3jzjA-3kdnA:
22.20
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLU E 301
GLY E 183
ARG E 365
GLY E 163
ARG E 167
 None
 1.35A 3jzjA-3kfuE:
0.1		 3jzjA-3kfuE:
24.34
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLU A  71
PHE A 269
ARG A  11
GLU A 292
GLY A 227
 None
 1.08A 3jzjA-3lp8A:
undetectable		 3jzjA-3lp8A:
23.63
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 240
GLU B 219
ALA B 222
ASP B 348
GLY B 377
 None
 1.14A 3jzjA-3m2rB:
undetectable		 3jzjA-3m2rB:
23.80
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.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		5 PHE A  85
GLU A 246
ALA A 331
GLY A 251
ARG A 134
 None
 1.38A 3jzjA-3morA:
undetectable		 3jzjA-3morA:
23.52
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 PHE A 126
GLY A 125
GLU A 367
ALA A 249
GLY A 368
 FAD  A 400 ( 4.7A)
None
GRA  A 402 (-3.7A)
GRA  A 402 ( 4.8A)
GRA  A 402 (-3.5A)
 1.38A 3jzjA-3mpiA:
undetectable		 3jzjA-3mpiA:
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.
3mux PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE

(Bacillus
anthracis) 		PF07071
(KDGP_aldolase) 		5 GLU A 190
GLY A 157
ALA A  85
GLY A  90
ASN A 106
 None
 1.44A 3jzjA-3muxA:
undetectable		 3jzjA-3muxA:
21.65
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		5 GLU A 103
GLY A 152
ALA A 160
ASP A 189
ARG A 201
 None
 1.29A 3jzjA-3nuzA:
undetectable		 3jzjA-3nuzA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwj ATSK2

(Arabidopsis
thaliana) 		PF01202
(SKI) 		5 PHE A 146
GLY A 150
ASP A 130
GLY A 177
ARG A 243
 None
 1.37A 3jzjA-3nwjA:
undetectable		 3jzjA-3nwjA:
22.78
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.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		5 PHE A 413
GLY A 409
ARG A 416
GLU A 353
ALA A 331
 None
 1.28A 3jzjA-3q5eA:
undetectable		 3jzjA-3q5eA:
22.76
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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 GLY A 242
ARG A 298
ASP A 321
ASP A 246
ASN A 139
 MTE  A 501 ( 3.9A)
None
None
None
None
 1.20A 3jzjA-3r18A:
undetectable		 3jzjA-3r18A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU A 647
GLY A 570
ARG A 513
GLY A 547
ASN A 541
 None
 1.17A 3jzjA-3rimA:
undetectable		 3jzjA-3rimA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rsi PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 GLY A 260
ARG A 244
GLU A 245
ALA A 249
ARG A 254
 None
 1.38A 3jzjA-3rsiA:
undetectable		 3jzjA-3rsiA:
22.06
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.
3trf SHIKIMATE KINASE

(Coxiella
burnetii) 		PF01202
(SKI) 		5 GLU A  41
PHE A  52
GLY A  56
GLY A  83
ARG A 142
 None
 1.32A 3jzjA-3trfA:
undetectable		 3jzjA-3trfA:
17.19
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		6 GLU A 228
GLY A 154
ALA A 266
ASP A 150
GLY A 233
ARG A 246
 None
 1.45A 3jzjA-3ut2A:
undetectable		 3jzjA-3ut2A:
20.83
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 GLY A 108
ALA A 215
ASP A 104
GLY A 187
ARG A 202
 NA  A 805 ( 4.8A)
None
None
None
None
 1.32A 3jzjA-3wxoA:
undetectable		 3jzjA-3wxoA:
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 PHE A  69
GLY A  94
ALA A  59
ASP A  66
GLY A  64
 None
 1.43A 3jzjA-3zvtA:
undetectable		 3jzjA-3zvtA:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 GLU A 997
PHE A1596
GLY A1598
GLY A1548
ASN A1544
 None
None
None
None
SO4  A2813 ( 4.7A)
 1.18A 3jzjA-4aygA:
undetectable		 3jzjA-4aygA:
18.23
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 GLU A1217
GLY A1166
ALA A1139
GLY A1206
ARG A1133
 SO4  A2810 (-3.5A)
None
None
None
None
 1.20A 3jzjA-4aygA:
undetectable		 3jzjA-4aygA:
18.23
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		5 GLU A  35
GLY A  47
ARG A  44
ALA A 234
ASP A  28
 None
None
C5P  A1000 (-3.4A)
C5P  A1000 (-3.5A)
C5P  A1000 (-2.2A)
 1.10A 3jzjA-4berA:
undetectable		 3jzjA-4berA:
20.70
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 GLY A 121
ALA A 222
ASP A 117
GLY A 199
ARG A 209
 None
 1.31A 3jzjA-4c51A:
undetectable		 3jzjA-4c51A:
21.37
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		5 GLU A 249
GLY A 242
GLU A  98
ALA A  97
GLY A 288
 None
 1.21A 3jzjA-4e8dA:
undetectable		 3jzjA-4e8dA:
23.11
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.
4fno PEPTIDYL-TRNA
HYDROLASE

(Pseudomonas
aeruginosa) 		PF01195
(Pept_tRNA_hydro) 		5 PHE A 131
GLY A 109
ALA A 123
GLY A  73
ASN A 127
 None
 1.42A 3jzjA-4fnoA:
undetectable		 3jzjA-4fnoA:
18.64
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 GLU A 153
GLY A 317
ARG A 160
ALA A 268
ASN A 267
 None
 1.31A 3jzjA-4fnvA:
undetectable		 3jzjA-4fnvA:
20.06
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 GLU A 338
GLY A 415
ARG A 479
ALA A 436
GLY A 316
 None
 1.28A 3jzjA-4k5rA:
undetectable		 3jzjA-4k5rA:
25.35
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 GLU A 134
GLY A 239
ASP A 214
GLY A  81
ASN A  17
 None
None
None
ACY  A 401 (-3.6A)
None
 1.28A 3jzjA-4mptA:
undetectable		 3jzjA-4mptA:
23.59
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 GLU A 292
GLY A 172
ARG A 358
GLY A 152
ARG A 156
 None
None
None
GLN  A 501 (-3.6A)
None
 1.44A 3jzjA-4n0iA:
1.8		 3jzjA-4n0iA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 PHE A 111
GLY A 353
ARG A 115
ASP A 215
GLY A 211
 HEM  A 501 ( 4.9A)
HEM  A 501 (-3.6A)
None
None
None
 1.01A 3jzjA-4ubsA:
undetectable		 3jzjA-4ubsA:
23.79
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		5 GLU A 314
GLY A 194
ARG A 380
GLY A 174
ARG A 178
 None
 1.39A 3jzjA-4wj3A:
1.7		 3jzjA-4wj3A:
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.
4ydi ENVELOPE
GLYCOPROTEIN GP160
HEAVY CHAIN OF
ANTIBODY
Z258-VRC27.01

(Homo sapiens;
Human
immunodeficiency
virus 1) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY G 235
GLU G 275
ASP H  99
GLY H 100
ASN G 276
 None
None
None
None
NAG  G 504 (-1.8A)
 1.44A 3jzjA-4ydiG:
undetectable		 3jzjA-4ydiG:
22.25
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  84
GLU A  62
ALA A 149
ASP A  41
ARG A 331
 None
ZN  A 401 (-3.6A)
None
None
ZN  A 401 (-4.0A)
 1.41A 3jzjA-4z6kA:
undetectable		 3jzjA-4z6kA:
23.28
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		5 GLU A 292
GLY A 197
ASP A  86
GLY A  88
ASN A 128
 None
 0.88A 3jzjA-4zxoA:
undetectable		 3jzjA-4zxoA:
21.61
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 240
GLU B 219
ALA B 222
ASP B 348
GLY B 377
 None
 1.19A 3jzjA-5a8rB:
undetectable		 3jzjA-5a8rB:
23.53
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 850
ARG A 843
ALA A 420
ASP A 576
ASP A 829
 None
None
None
None
ADP  A1103 (-3.8A)
 1.11A 3jzjA-5b7iA:
undetectable		 3jzjA-5b7iA:
17.17
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 GLY A 149
GLU A 387
ASP A 329
ASP A 168
ASN A 390
 None
 1.42A 3jzjA-5brqA:
undetectable		 3jzjA-5brqA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 GLU A  93
ARG A 155
ALA A 247
ASP A 517
ASN A 248
 None
 1.33A 3jzjA-5bxpA:
undetectable		 3jzjA-5bxpA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c4r PRECORRIN-6A
REDUCTASE

(Rhodobacter
capsulatus) 		PF02571
(CbiJ) 		5 GLY A   9
ARG A  99
GLU A  98
ALA A  96
ARG A 228
 None
 1.17A 3jzjA-5c4rA:
undetectable		 3jzjA-5c4rA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 ARG A 136
ALA A 366
ASP A  82
TRP A 298
GLY A  84
 T6T  A 501 (-3.0A)
None
T6T  A 501 (-2.3A)
T6T  A 501 (-3.5A)
T6T  A 501 ( 4.6A)
 1.44A 3jzjA-5ci5A:
45.6		 3jzjA-5ci5A:
29.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 GLY A  58
ASP A 134
ASP A 245
GLY A 296
ARG A 367
 None
T6T  A 501 (-1.9A)
None
T6T  A 501 (-3.2A)
T6T  A 501 (-3.0A)
 1.09A 3jzjA-5ci5A:
45.6		 3jzjA-5ci5A:
29.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 GLY A 174
ASP A  25
GLY A  26
ARG A 185
ASN A 180
 None
 1.28A 3jzjA-5fo1A:
undetectable		 3jzjA-5fo1A:
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.
5fpw PRO CATHEPSIN B S9

(Trypanosoma
congolense) 		PF00112
(Peptidase_C1) 		5 PHE A  62
GLU A 223
ALA A 308
GLY A 228
ARG A 111
 None
 1.32A 3jzjA-5fpwA:
undetectable		 3jzjA-5fpwA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 GLU B 310
PHE B 364
GLY B 362
ASP B 278
GLY B 317
 None
 1.43A 3jzjA-5hzgB:
undetectable		 3jzjA-5hzgB:
21.29
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.
5ic1 TALIN-1

(Mus musculus) 		no annotation 5 GLY A1657
ARG A1652
ALA A1443
ASP A1394
GLY A1391
 None
 1.40A 3jzjA-5ic1A:
undetectable		 3jzjA-5ic1A:
22.79
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 223
GLU A1417
ASP A 130
GLY A1395
ARG A1399
 None
 1.28A 3jzjA-5ip9A:
undetectable		 3jzjA-5ip9A:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLU A 653
GLY A 626
ALA A 675
GLY A 527
ASN A 676
 None
 1.32A 3jzjA-5jjrA:
undetectable		 3jzjA-5jjrA:
16.63
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 125
ALA A 231
ASP A 121
GLY A 203
ARG A 218
 NA  A 802 ( 4.8A)
None
None
None
None
 1.34A 3jzjA-5kqiA:
undetectable		 3jzjA-5kqiA:
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 GLU B 295
PHE B 305
GLY B 231
ALA B 283
ASP A  57
 CA  B 402 (-3.2A)
None
LLP  B  86 ( 3.7A)
None
None
 1.32A 3jzjA-5kzmB:
1.5		 3jzjA-5kzmB:
24.77
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.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		5 GLU A 101
PHE A  58
ARG A 105
ALA A  45
GLY A 219
 None
 1.35A 3jzjA-5ltiA:
undetectable		 3jzjA-5ltiA:
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 240
GLU B 219
ALA B 222
ASP B 348
GLY B 377
 None
 1.16A 3jzjA-5n1qB:
undetectable		 3jzjA-5n1qB:
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 240
GLU B 219
ALA B 222
ASP B 349
GLY B 378
 None
 1.16A 3jzjA-5n28B:
undetectable		 3jzjA-5n28B:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLU B 155
GLY B 817
ARG B 424
ASP B 272
GLY B 586
 None
 1.22A 3jzjA-5nd1B:
undetectable		 3jzjA-5nd1B:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 GLU A 220
GLY A 249
ALA A  65
ASP A 358
GLY A 184
 None
None
None
CIT  A 502 (-3.6A)
SNN  A 176 ( 3.5A)
 0.84A 3jzjA-5nijA:
undetectable		 3jzjA-5nijA:
12.11
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 GLY A 493
GLU A 394
ALA A 393
ASP A 596
ASN A 450
 GOL  A 704 ( 4.3A)
None
None
GOL  A 701 (-3.0A)
None
 1.33A 3jzjA-5no8A:
undetectable		 3jzjA-5no8A:
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		5 GLU A 161
ARG A  47
ALA A 246
ASP A 233
GLY A 253
 None
 1.39A 3jzjA-5nyyA:
undetectable		 3jzjA-5nyyA:
22.88
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 5 GLU A 135
ASP A 433
GLY A 443
ARG A 395
ASN A 439
 None
 1.41A 3jzjA-5oydA:
undetectable		 3jzjA-5oydA:
15.35
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 GLY A 664
GLU A 718
ALA A 763
ASP A 290
GLY A 746
 7A2  A 901 (-4.0A)
None
None
None
None
 1.42A 3jzjA-5te1A:
undetectable		 3jzjA-5te1A:
18.96
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 GLU A 125
GLY A  86
ARG A 157
GLY A 129
ASN A  72
 None
 1.38A 3jzjA-5uj6A:
undetectable		 3jzjA-5uj6A:
20.00
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.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 5 GLY A 291
ALA A 181
ASP A 174
ASP A  11
GLY A 175
 None
None
PLR  A 401 (-2.6A)
None
None
 1.31A 3jzjA-5vyeA:
undetectable		 3jzjA-5vyeA:
11.49
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 GLU A 800
ALA A 686
TRP A 538
GLY A 605
ASN A 711
 NAG  A1002 (-3.6A)
NAG  A1003 (-3.6A)
NAG  A1001 (-4.0A)
NAG  A1003 (-3.5A)
None
 1.34A 3jzjA-5wvgA:
undetectable		 3jzjA-5wvgA:
10.75
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT
3NT OXYGENASE BETA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 GLU A  61
GLY A 185
GLU C  69
GLY A  92
ASN C  81
 None
 1.38A 3jzjA-5xbpA:
undetectable		 3jzjA-5xbpA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLU A 486
GLY A 279
ALA A 242
ASP A 602
ASN A 246
 None
SEB  A 360 ( 3.0A)
None
None
None
 1.39A 3jzjA-5ydjA:
undetectable		 3jzjA-5ydjA:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 5 PHE A 268
GLY A 231
ALA A 106
GLY A 104
ASN A 176
 None
 1.20A 3jzjA-5z03A:
undetectable		 3jzjA-5z03A:
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC
ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 GLY D 297
GLU D 284
ALA D 281
ASP C 290
ARG D 246
 None
 1.41A 3jzjA-6fkhD:
undetectable		 3jzjA-6fkhD:
12.47