SIMILAR PATTERNS OF AMINO ACIDS FOR 3CJT_K_SAMK302_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.
1g7y STEM/LEAF LECTIN
DB58

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		5 VAL A 204
LEU A  91
ILE A   3
ASP A   2
LEU A 242
 None
 1.14A 3cjtK-1g7yA:
undetectable		 3cjtK-1g7yA:
18.02
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.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		5 HIS A 467
GLY A 426
LEU A 252
ASP A 418
LEU A 538
 None
 1.28A 3cjtK-1k4yA:
2.0		 3cjtK-1k4yA:
19.18
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 VAL A  61
LEU A 333
ILE A 256
LEU A  54
LEU A 327
 ATP  A 450 (-4.0A)
None
None
None
None
 1.50A 3cjtK-1kyiA:
0.2		 3cjtK-1kyiA:
22.77
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 LEU A 480
GLY A 481
LEU A 433
ILE A 521
SER A 488
 None
 1.28A 3cjtK-1lshA:
undetectable		 3cjtK-1lshA:
13.40
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.
1lu2 LECTIN

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		5 SER A 228
VAL A 252
LEU A 248
ILE A   3
LEU A 242
 None
 1.16A 3cjtK-1lu2A:
undetectable		 3cjtK-1lu2A:
19.10
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A  56
LEU A  62
ILE A  79
ASP A  80
ASN A 114
 None
 0.51A 3cjtK-1ne2A:
18.2		 3cjtK-1ne2A:
23.02
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.
1ppy ASPARTATE
1-DECARBOXYLASE
PRECURSOR

(Escherichia
coli) 		PF02261
(Asp_decarbox) 		5 LEU A  10
ILE A  44
ASP A  45
ASN A 104
LEU A  33
 None
 1.42A 3cjtK-1ppyA:
undetectable		 3cjtK-1ppyA:
19.44
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 GLY A 264
ILE A 266
SER A 260
ASN A  26
LEU A 283
 None
None
None
None
FMT  A1212 ( 4.5A)
 0.91A 3cjtK-1u60A:
undetectable		 3cjtK-1u60A:
23.36
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 LEU A 215
GLY A 198
SER A 204
ILE A 193
ASP A 207
 None
 1.19A 3cjtK-1x0aA:
0.0		 3cjtK-1x0aA:
26.80
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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 HIS A 343
GLY A  43
VAL A  50
LEU A 110
LEU A 121
 NAP  A1001 (-3.6A)
None
None
NAP  A1001 (-4.9A)
None
 1.09A 3cjtK-1xkdA:
undetectable		 3cjtK-1xkdA:
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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		5 LEU A 452
GLY A 451
VAL A 430
LEU A 460
LEU A 442
 None
 1.28A 3cjtK-2frxA:
13.9		 3cjtK-2frxA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 GLY A 157
VAL A 168
LEU A 165
ILE A 143
ASP A 142
 None
None
None
None
CA  A 502 (-3.1A)
 1.30A 3cjtK-2ggzA:
undetectable		 3cjtK-2ggzA:
20.16
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 LEU A 271
GLY A 272
VAL A 276
LEU A 277
LEU A 101
 None
 1.23A 3cjtK-2h1yA:
4.0		 3cjtK-2h1yA:
24.78
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 SER A  64
LEU A  67
ASP A  85
SER A 112
LEU A 139
 None
 1.14A 3cjtK-2iftA:
14.9		 3cjtK-2iftA:
24.32
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 HIS A 333
GLY A  35
VAL A  42
LEU A  99
LEU A 110
 None
 1.10A 3cjtK-2iv0A:
undetectable		 3cjtK-2iv0A:
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 115
SER A 106
ILE A 192
ASN A  62
LEU A 143
 None
 1.12A 3cjtK-2jgzA:
undetectable		 3cjtK-2jgzA:
22.74
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 218
ILE A 246
ASP A 245
LEU A 237
LEU A 261
 None
 0.92A 3cjtK-2obyA:
11.3		 3cjtK-2obyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 211
LEU A 217
ASP A 206
LEU A 222
LEU A 243
 None
 1.39A 3cjtK-2oqhA:
3.6		 3cjtK-2oqhA:
24.69
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A 330
LEU A 337
ILE A 327
SER A  18
LEU A 308
 None
 1.34A 3cjtK-2rgjA:
3.9		 3cjtK-2rgjA:
26.02
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A 389
LEU A 247
ASN A 387
LEU A 287
LEU A 320
 None
 1.30A 3cjtK-2vz9A:
undetectable		 3cjtK-2vz9A:
7.45
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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 107
SER A 117
ILE A  67
LEU A 105
LEU A  81
 None
 1.26A 3cjtK-2z80A:
undetectable		 3cjtK-2z80A:
19.24
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.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		5 LEU A 202
ILE A 265
ASP A 264
LEU A   9
LEU A  51
 None
 1.09A 3cjtK-2zi8A:
undetectable		 3cjtK-2zi8A:
25.72
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.87A 3cjtK-3anxA:
11.9		 3cjtK-3anxA:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		11 LEU A 127
GLY A 128
SER A 131
VAL A 133
LEU A 134
ILE A 150
ASP A 151
SER A 175
ASN A 191
LEU A 192
LEU A 196
 None
SAH  A 258 (-3.1A)
None
None
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
SAH  A 258 (-2.6A)
SAH  A 258 ( 3.8A)
None
SAH  A 258 (-4.6A)
 0.34A 3cjtK-3cjtA:
31.2		 3cjtK-3cjtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 LEU A 193
GLY A 305
SER A 300
LEU A 191
LEU A 236
 None
 1.31A 3cjtK-3ct4A:
undetectable		 3cjtK-3ct4A:
23.45
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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 319
SER A 264
ASN A 293
LEU A 321
LEU A 343
 None
 1.38A 3cjtK-3dg7A:
undetectable		 3cjtK-3dg7A:
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.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 GLY D 221
ILE D 193
SER D  93
ASN D 329
LEU D 214
 None
 1.38A 3cjtK-3fo8D:
undetectable		 3cjtK-3fo8D:
23.33
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 GLY A 221
ILE A 193
SER A  93
ASN A 329
LEU A 214
 None
 1.39A 3cjtK-3foaA:
2.8		 3cjtK-3foaA:
19.60
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 318
VAL A 478
LEU A 399
LEU A 323
LEU A 501
 None
 1.39A 3cjtK-3fr8A:
undetectable		 3cjtK-3fr8A:
19.47
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 LEU A  61
VAL A 340
LEU A 111
ASP A  99
LEU A  81
LEU A  78
 None
 1.09A 3cjtK-3gg9A:
8.4		 3cjtK-3gg9A:
21.70
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.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 SER A 251
LEU A 216
ILE A 194
LEU A 203
LEU A 174
 None
 1.09A 3cjtK-3gozA:
undetectable		 3cjtK-3gozA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 GLY A 184
SER A 187
LEU A 190
ILE A 207
ASN A 248
 GOL  A 322 ( 3.7A)
None
None
GOL  A 322 (-4.1A)
None
 0.42A 3cjtK-3grzA:
25.2		 3cjtK-3grzA:
29.80
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 GLY U 221
ILE U 193
SER U  93
ASN U 329
LEU U 214
 None
 1.39A 3cjtK-3j2nU:
undetectable		 3cjtK-3j2nU:
17.08
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 LEU A 584
VAL A 574
LEU A 581
LEU A 780
LEU A 755
 None
 1.43A 3cjtK-3k4xA:
undetectable		 3cjtK-3k4xA:
15.80
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ILE A 312
ASP A 326
ASN A 350
LEU A 349
LEU A 341
 None
 1.10A 3cjtK-3l8aA:
2.5		 3cjtK-3l8aA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 216
GLY A  21
SER A 209
SER A 268
LEU A  42
 None
FDA  A 547 ( 4.7A)
None
None
None
 1.19A 3cjtK-3ljpA:
undetectable		 3cjtK-3ljpA:
20.33
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 LEU A 469
GLY A 468
VAL A  54
LEU A 444
LEU A 479
 None
 1.34A 3cjtK-3lq1A:
undetectable		 3cjtK-3lq1A:
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 LEU A 219
GLY A 220
SER A 217
ASN A 193
LEU A 198
 None
 1.10A 3cjtK-3nztA:
undetectable		 3cjtK-3nztA:
17.79
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.
3o7o ENDOGLUCANASE

(Thermotoga
maritima) 		PF01670
(Glyco_hydro_12) 		5 LEU A 210
LEU A 203
SER A 213
LEU A 182
LEU A 174
 None
 1.50A 3cjtK-3o7oA:
undetectable		 3cjtK-3o7oA:
23.16
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 VAL A 229
LEU A 230
ASP A 255
LEU A 199
LEU A 195
 None
 1.05A 3cjtK-3sfzA:
undetectable		 3cjtK-3sfzA:
11.70
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.
3u2p RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 LEU A 395
VAL A 366
ASP A 388
LEU A 377
LEU A 409
 None
 1.27A 3cjtK-3u2pA:
undetectable		 3cjtK-3u2pA:
19.67
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 683
VAL A 680
LEU A 707
ILE A 556
SER A 560
 None
 1.15A 3cjtK-3wdjA:
undetectable		 3cjtK-3wdjA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4etz PELD

(Pseudomonas
aeruginosa) 		PF13492
(GAF_3)
PF16963
(PelD_GGDEF) 		5 LEU A 203
GLY A 202
LEU A 226
LEU A 278
LEU A 192
 None
 1.38A 3cjtK-4etzA:
2.7		 3cjtK-4etzA:
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.
4fz2 TRNA INTRON
ENDONUCLEASE

(Candidatus
Micrarchaeum
acidiphilum) 		PF01974
(tRNA_int_endo) 		5 LEU A  40
GLY A  45
VAL A  72
ASP A  50
LEU A   5
 None
 0.95A 3cjtK-4fz2A:
undetectable		 3cjtK-4fz2A:
22.17
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.
4igb LPXTG CELL WALL
SURFACE PROTEIN

(Streptococcus
gordonii) 		no annotation 5 LEU D 283
GLY D 282
ILE D 222
ASP D 221
ASN D 249
 None
None
None
SO4  D 502 ( 2.8A)
None
 1.05A 3cjtK-4igbD:
undetectable		 3cjtK-4igbD:
20.55
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.
4igb LPXTG CELL WALL
SURFACE PROTEIN

(Streptococcus
gordonii) 		no annotation 5 LEU D 283
GLY D 282
ILE D 222
ASP D 223
ASN D 249
 None
None
None
SO4  D 502 (-3.2A)
None
 1.19A 3cjtK-4igbD:
undetectable		 3cjtK-4igbD:
20.55
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLY A 120
VAL A 190
LEU A 117
ASP A 194
LEU A 142
 SAH  A1001 (-3.6A)
None
None
None
SAH  A1001 (-4.2A)
 1.29A 3cjtK-4mtlA:
14.7		 3cjtK-4mtlA:
23.16
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.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		5 ILE A 291
ASP A 292
SER A 228
LEU A 182
LEU A 162
 None
 1.10A 3cjtK-4ovrA:
undetectable		 3cjtK-4ovrA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3i OSSERK2 D128N

(Oryza sativa) 		PF08263
(LRRNT_2)
PF11921
(DUF3439) 		5 VAL A  91
LEU A  94
ILE A 138
LEU A 127
LEU A 151
 None
 1.13A 3cjtK-4q3iA:
undetectable		 3cjtK-4q3iA:
20.38
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 5 LEU B 301
LEU B 349
ILE B 281
LEU B 325
LEU B 295
 None
 1.30A 3cjtK-4r0mB:
undetectable		 3cjtK-4r0mB:
18.07
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 VAL A  88
ILE A  28
ASP A  74
LEU A 219
LEU A 235
 None
 1.16A 3cjtK-4rxlA:
undetectable		 3cjtK-4rxlA:
26.50
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 323
GLY A 262
LEU A 259
LEU A 158
LEU A 159
 None
 1.28A 3cjtK-4xeaA:
undetectable		 3cjtK-4xeaA:
21.70
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.
5dqs ELONGATION FACTOR
1-GAMMA

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A 139
LEU A 146
ASP A 105
LEU A 168
LEU A 171
 None
 1.10A 3cjtK-5dqsA:
undetectable		 3cjtK-5dqsA:
25.00
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.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 550
GLY A 527
SER A 503
LEU A 553
LEU A 556
 None
 1.44A 3cjtK-5gr8A:
undetectable		 3cjtK-5gr8A:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 252
ILE A 189
ASP A 193
LEU A 227
LEU A 230
 None
 1.28A 3cjtK-5ijbA:
undetectable		 3cjtK-5ijbA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 420
SER A 342
ILE A 404
LEU A 365
LEU A 362
 None
 1.23A 3cjtK-5ijgA:
undetectable		 3cjtK-5ijgA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j04 ENOLASE

(Synechococcus
elongatus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 289
SER A 250
LEU A 316
LEU A 301
LEU A 305
 None
CA  A 506 ( 4.9A)
None
None
None
 1.36A 3cjtK-5j04A:
undetectable		 3cjtK-5j04A:
22.75
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 HIS A 495
LEU A 488
ILE A 552
ASN A 492
LEU A 608
 None
None
None
EDO  A1007 (-3.6A)
None
 1.06A 3cjtK-5jjrA:
undetectable		 3cjtK-5jjrA:
17.92
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.
5l2q SERINE/THREONINE-PRO
TEIN KINASE 40

(Homo sapiens) 		no annotation 5 HIS C 189
GLY C 220
LEU C 223
ASP C 197
LEU C  96
 None
 1.23A 3cjtK-5l2qC:
undetectable		 3cjtK-5l2qC:
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.
5l2q SERINE/THREONINE-PRO
TEIN KINASE 40

(Homo sapiens) 		no annotation 5 HIS C 189
GLY C 220
LEU C 223
ASP C 197
LEU C  97
 None
 1.20A 3cjtK-5l2qC:
undetectable		 3cjtK-5l2qC:
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.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 5 GLY H 298
SER H 253
VAL H 286
LEU H 303
LEU H 116
 None
 1.48A 3cjtK-5mgyH:
undetectable		 3cjtK-5mgyH:
25.81
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 GLY f 402
VAL f 375
ASN f 406
LEU f 405
LEU f 671
 None
 1.49A 3cjtK-5t0hf:
undetectable		 3cjtK-5t0hf:
16.69
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
SER A 134
VAL A 136
LEU A 137
ASN A 194
 SAH  A 414 (-3.0A)
SAH  A 414 ( 4.4A)
None
SAH  A 414 ( 3.7A)
TRS  A 415 ( 2.3A)
 0.22A 3cjtK-5u4tA:
12.4		 3cjtK-5u4tA:
25.23
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.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL

(Aquifex
aeolicus) 		no annotation 5 VAL C  40
LEU C  46
ILE C  13
SER C  96
LEU C  23
 None
 1.18A 3cjtK-5x9yC:
undetectable		 3cjtK-5x9yC:
21.83
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.
5yly NITRATE REDUCTASE

(Ulva prolifera) 		no annotation 5 GLY A 625
VAL A 703
LEU A 609
ASP A 629
LEU A 633
 None
 1.24A 3cjtK-5ylyA:
undetectable		 3cjtK-5ylyA:
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 ILE B 170
ASP B 169
ASN B 144
LEU B 143
LEU B 122
 None
 1.21A 3cjtK-6f5oB:
undetectable		 3cjtK-6f5oB:
undetectable