SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTJ_A_THRA401

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.
1cn3 COAT PROTEIN VP1

(Polyomavirus
sp.) 		PF00718
(Polyoma_coat) 		4 GLY A 270
GLU A 121
ALA A 122
ASN A 236
 None
 0.78A 2dtjA-1cn3A:
undetectable
2dtjB-1cn3A:
undetectable		 2dtjA-1cn3A:
21.35
2dtjB-1cn3A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ezi CMP-N-ACETYLNEURAMIN
IC ACID SYNTHETASE

(Neisseria
meningitidis) 		PF02348
(CTP_transf_3) 		4 GLU A  91
ALA A  89
THR A 183
ILE A  93
 None
 0.85A 2dtjA-1eziA:
undetectable
2dtjB-1eziA:
undetectable		 2dtjA-1eziA:
23.05
2dtjB-1eziA:
23.05
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.
1gzs SOPE

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		4 GLY B 145
GLU B 146
ALA B 147
ILE B 231
 None
 0.83A 2dtjA-1gzsB:
undetectable
2dtjB-1gzsB:
0.6		 2dtjA-1gzsB:
22.95
2dtjB-1gzsB:
22.95
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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		4 GLY A  76
ALA A  81
ASN A 117
ILE A 118
 None
 0.86A 2dtjA-1hylA:
undetectable
2dtjB-1hylA:
undetectable		 2dtjA-1hylA:
18.88
2dtjB-1hylA:
18.88
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		4 GLY A 154
ALA A 152
THR A 403
ILE A 158
 None
 0.85A 2dtjA-1iokA:
undetectable
2dtjB-1iokA:
undetectable		 2dtjA-1iokA:
15.57
2dtjB-1iokA:
15.57
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.
1ir0 FERREDOXIN

(Bacillus
thermoproteolyticus) 		PF13370
(Fer4_13) 		4 GLY A  60
GLU A  59
ALA A  57
ILE A  66
 None
None
None
SF4  A  82 (-4.8A)
 0.65A 2dtjA-1ir0A:
undetectable
2dtjB-1ir0A:
undetectable		 2dtjA-1ir0A:
18.63
2dtjB-1ir0A:
18.63
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.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 447
GLU A 469
ALA A 468
ILE A 471
 None
 0.60A 2dtjA-1kyaA:
undetectable
2dtjB-1kyaA:
0.0		 2dtjA-1kyaA:
17.49
2dtjB-1kyaA:
17.49
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASP B 200
GLY B 170
ALA B 196
ILE B 172
 None
 0.85A 2dtjA-1lpbB:
0.0
2dtjB-1lpbB:
undetectable		 2dtjA-1lpbB:
18.34
2dtjB-1lpbB:
18.34
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		4 GLY A 189
GLN A 237
ASN A 105
ILE A  80
 None
 0.77A 2dtjA-1nxzA:
0.2
2dtjB-1nxzA:
undetectable		 2dtjA-1nxzA:
22.18
2dtjB-1nxzA:
22.18
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		4 ASP A 168
ALA A 223
ASN A 208
ILE A 225
 PO4  A1352 (-3.5A)
None
PO4  A1352 ( 4.4A)
None
 0.82A 2dtjA-1pc3A:
undetectable
2dtjB-1pc3A:
undetectable		 2dtjA-1pc3A:
19.55
2dtjB-1pc3A:
19.55
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B 553
ALA B 550
THR B 467
ILE B 738
 None
MCN  B4921 (-3.1A)
None
MCN  B4921 ( 4.5A)
 0.68A 2dtjA-1t3qB:
undetectable
2dtjB-1t3qB:
undetectable		 2dtjA-1t3qB:
13.37
2dtjB-1t3qB:
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 446
GLU A 468
ALA A 467
ILE A 470
 None
 0.76A 2dtjA-1v10A:
undetectable
2dtjB-1v10A:
undetectable		 2dtjA-1v10A:
16.00
2dtjB-1v10A:
16.00
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.
1v7l 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF00694
(Aconitase_C) 		4 GLY A  58
GLU A  85
ALA A  84
ASN A  60
 None
 0.85A 2dtjA-1v7lA:
undetectable
2dtjB-1v7lA:
undetectable		 2dtjA-1v7lA:
26.04
2dtjB-1v7lA:
26.04
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		4 ALA A 165
GLN A 294
THR A 188
ILE A 181
 None
 0.86A 2dtjA-1vmiA:
undetectable
2dtjB-1vmiA:
undetectable		 2dtjA-1vmiA:
17.98
2dtjB-1vmiA:
17.98
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLY A 330
GLU A 341
ALA A 328
ILE A 339
 None
 0.82A 2dtjA-1x8vA:
undetectable
2dtjB-1x8vA:
undetectable		 2dtjA-1x8vA:
17.61
2dtjB-1x8vA:
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.
1xfr PHEROMONE-BINDING
PROTEIN

(Bombyx mori) 		PF01395
(PBP_GOBP) 		4 GLY A  49
ALA A  51
ASN A  45
ILE A  29
 None
 0.84A 2dtjA-1xfrA:
undetectable
2dtjB-1xfrA:
undetectable		 2dtjA-1xfrA:
22.47
2dtjB-1xfrA:
22.47
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A 150
ALA A 152
ASN A  59
ILE A  58
 None
 0.79A 2dtjA-1zltA:
undetectable
2dtjB-1zltA:
undetectable		 2dtjA-1zltA:
22.74
2dtjB-1zltA:
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.
2af4 PHOSPHATE
ACETYLTRANSFERASE

(Methanosarcina
thermophila) 		PF01515
(PTA_PTB) 		4 ALA C 170
GLN C 299
THR C 193
ILE C 186
 None
 0.77A 2dtjA-2af4C:
undetectable
2dtjB-2af4C:
undetectable		 2dtjA-2af4C:
20.42
2dtjB-2af4C:
20.42
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		4 ASP A 574
GLY A 634
GLU A 635
THR A 565
 None
None
None
GOL  A1695 ( 4.8A)
 0.82A 2dtjA-2bf6A:
undetectable
2dtjB-2bf6A:
undetectable		 2dtjA-2bf6A:
16.48
2dtjB-2bf6A:
16.48
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 GLY A 343
GLU A 345
THR A 220
ILE A 341
 NGA  A 702 (-3.4A)
NGA  A 702 (-2.9A)
UDP  A 705 ( 3.9A)
UDP  A 705 (-4.3A)
 0.86A 2dtjA-2d7iA:
undetectable
2dtjB-2d7iA:
undetectable		 2dtjA-2d7iA:
16.13
2dtjB-2d7iA:
16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dt9 ASPARTOKINASE

(Thermus
thermophilus) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 ASP A  26
GLY A  29
ALA A  31
GLN A  50
 None
 0.22A 2dtjA-2dt9A:
21.3
2dtjB-2dt9A:
21.5		 2dtjA-2dt9A:
40.56
2dtjB-2dt9A:
40.56
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		4 GLY A 268
ALA A 270
THR A 179
ILE A 291
 None
 0.82A 2dtjA-2eguA:
undetectable
2dtjB-2eguA:
undetectable		 2dtjA-2eguA:
21.68
2dtjB-2eguA:
21.68
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 GLY A 277
ALA A 274
GLN A 249
ILE A 300
 None
 0.71A 2dtjA-2ftwA:
undetectable
2dtjB-2ftwA:
undetectable		 2dtjA-2ftwA:
15.89
2dtjB-2ftwA:
15.89
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.
2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES

(Homo sapiens) 		PF00018
(SH3_1) 		4 GLY A 140
ALA A 131
THR A 124
ILE A 142
 None
 0.83A 2dtjA-2hdaA:
undetectable
2dtjB-2hdaA:
undetectable		 2dtjA-2hdaA:
18.40
2dtjB-2hdaA:
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.
2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES

(Homo sapiens) 		PF00018
(SH3_1) 		4 GLY A 140
GLU A 130
ALA A 131
ILE A 142
 None
 0.80A 2dtjA-2hdaA:
undetectable
2dtjB-2hdaA:
undetectable		 2dtjA-2hdaA:
18.40
2dtjB-2hdaA:
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.
2il1 RAB12

(Homo sapiens) 		PF00071
(Ras) 		4 GLY A 250
GLU A 280
ALA A 281
ILE A 292
 None
 0.56A 2dtjA-2il1A:
undetectable
2dtjB-2il1A:
undetectable		 2dtjA-2il1A:
21.23
2dtjB-2il1A:
21.23
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.
2lkm PHD FINGER PROTEIN
12
MORTALITY FACTOR
4-LIKE PROTEIN 1

(Homo sapiens;
Homo sapiens) 		PF16737
(PHF12_MRG_bd)
PF05712
(MRG) 		4 GLU A 219
ALA A 217
THR B 277
ILE A 214
 None
 0.82A 2dtjA-2lkmA:
undetectable
2dtjB-2lkmA:
undetectable		 2dtjA-2lkmA:
14.73
2dtjB-2lkmA:
14.73
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.
2lui PICK1 PDZ DOMAIN
FUSED TO THE C10 DAT
LIGAND

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 ASP A  68
GLY A  62
ALA A  58
ILE A  99
 None
 0.83A 2dtjA-2luiA:
undetectable
2dtjB-2luiA:
undetectable		 2dtjA-2luiA:
22.60
2dtjB-2luiA:
22.60
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.
2mfj BLO T 19

(Blomia
tropicalis) 		PF16839
(Antimicrobial25) 		4 GLY A  18
ALA A  22
THR A   7
ASN A  13
 None
 0.80A 2dtjA-2mfjA:
undetectable
2dtjB-2mfjA:
undetectable		 2dtjA-2mfjA:
17.16
2dtjB-2mfjA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 446
GLU A 468
ALA A 467
ILE A 470
 None
 0.66A 2dtjA-2qt6A:
undetectable
2dtjB-2qt6A:
undetectable		 2dtjA-2qt6A:
18.14
2dtjB-2qt6A:
18.14
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.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		4 GLY A 295
ALA A 292
THR A 311
ILE A 213
 None
 0.74A 2dtjA-2r5fA:
undetectable
2dtjB-2r5fA:
undetectable		 2dtjA-2r5fA:
17.47
2dtjB-2r5fA:
17.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2re1 ASPARTOKINASE, ALPHA
AND BETA SUBUNITS

(Neisseria
meningitidis) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 ASP A 273
ALA A 278
GLN A 297
THR A 305
 None
 0.58A 2dtjA-2re1A:
20.9
2dtjB-2re1A:
21.0		 2dtjA-2re1A:
48.43
2dtjB-2re1A:
48.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2re1 ASPARTOKINASE, ALPHA
AND BETA SUBUNITS

(Neisseria
meningitidis) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 ASP A 273
GLY A 276
ALA A 278
GLN A 297
 None
 0.51A 2dtjA-2re1A:
20.9
2dtjB-2re1A:
21.0		 2dtjA-2re1A:
48.43
2dtjB-2re1A:
48.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvk YJHT

(Escherichia
coli) 		PF01344
(Kelch_1) 		4 GLY A 329
GLU A 325
ALA A 327
GLN A 305
 None
 0.85A 2dtjA-2uvkA:
undetectable
2dtjB-2uvkA:
undetectable		 2dtjA-2uvkA:
20.39
2dtjB-2uvkA:
20.39
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLY A 180
GLU A 217
ASN A 187
ILE A 221
 None
 0.85A 2dtjA-2vosA:
undetectable
2dtjB-2vosA:
undetectable		 2dtjA-2vosA:
17.73
2dtjB-2vosA:
17.73
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 GLY A 157
GLU A 158
ALA A 159
ILE A 100
 None
 0.78A 2dtjA-2x7jA:
undetectable
2dtjB-2x7jA:
undetectable		 2dtjA-2x7jA:
15.56
2dtjB-2x7jA:
15.56
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.
2yt6 ADULT MALE URINARY
BLADDER CDNA, RIKEN
FULL-LENGTH ENRICHED
LIBRARY,
CLONE:9530076O17
PRODUCT:YAMAGUCHI
SARCOMA VIRAL
(V-YES) ONCOGENE
HOMOLOG

(Mus musculus) 		PF00018
(SH3_1) 		4 GLY A  74
GLU A  64
ALA A  65
ILE A  76
 None
 0.69A 2dtjA-2yt6A:
undetectable
2dtjB-2yt6A:
undetectable		 2dtjA-2yt6A:
20.47
2dtjB-2yt6A:
20.47
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A 251
GLY A 223
ALA A 227
ASN A 128
 GD3  A 501 (-2.7A)
None
None
None
 0.82A 2dtjA-2yzwA:
undetectable
2dtjB-2yzwA:
undetectable		 2dtjA-2yzwA:
21.75
2dtjB-2yzwA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab4 ASPARTOKINASE
ASPARTOKINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
PF01842
(ACT)
PF13840
(ACT_7) 		8 ASP A 274
GLY A 277
GLU A 278
ALA A 279
GLN A 298
THR A 308
ASN B 125
ILE B 126
 THR  A 501 (-4.0A)
THR  A 501 (-3.9A)
None
THR  A 501 (-3.4A)
THR  A 501 (-2.6A)
THR  A 501 (-3.7A)
THR  A 501 (-3.1A)
THR  A 501 (-3.6A)
 0.42A 2dtjA-3ab4A:
22.2
2dtjB-3ab4A:
23.0		 2dtjA-3ab4A:
40.62
2dtjB-3ab4A:
40.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab4 ASPARTOKINASE
ASPARTOKINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
PF01842
(ACT)
PF13840
(ACT_7) 		8 ASP B  25
GLY B  28
GLU B  29
ALA B  30
GLN B  49
THR B  59
ASN A 374
ILE A 375
 THR  B 201 (-3.4A)
THR  B 201 (-4.1A)
None
THR  B 201 (-3.0A)
THR  B 201 (-3.0A)
THR  B 201 ( 4.8A)
THR  B 201 (-2.8A)
THR  B 201 (-3.7A)
 0.28A 2dtjA-3ab4B:
24.5
2dtjB-3ab4B:
23.8		 2dtjA-3ab4B:
99.44
2dtjB-3ab4B:
99.44
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.
3bwq CAPSID PROTEIN VP1

(Macaca mulatta
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 GLY A 251
GLU A 111
ALA A 112
ASN A 217
 None
 0.76A 2dtjA-3bwqA:
undetectable
2dtjB-3bwqA:
undetectable		 2dtjA-3bwqA:
21.01
2dtjB-3bwqA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqt PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Gallus gallus) 		PF00018
(SH3_1) 		4 GLY A  48
GLU A  38
ALA A  39
ILE A  50
 None
 0.68A 2dtjA-3cqtA:
undetectable
2dtjB-3cqtA:
undetectable		 2dtjA-3cqtA:
20.22
2dtjB-3cqtA:
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.
3euh MUKE

(Escherichia
coli) 		PF04288
(MukE) 		4 GLY C 217
GLU C 218
ALA C 219
ILE C 214
 None
 0.70A 2dtjA-3euhC:
undetectable
2dtjB-3euhC:
undetectable		 2dtjA-3euhC:
22.59
2dtjB-3euhC:
22.59
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.
3h0f PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF00018
(SH3_1) 		4 GLY A 131
GLU A 121
ALA A 122
ILE A 133
 None
 0.70A 2dtjA-3h0fA:
undetectable
2dtjB-3h0fA:
undetectable		 2dtjA-3h0fA:
17.37
2dtjB-3h0fA:
17.37
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 GLY A 163
ALA A 209
ASN A 126
ILE A 186
 None
 0.86A 2dtjA-3jyfA:
undetectable
2dtjB-3jyfA:
undetectable		 2dtjA-3jyfA:
21.69
2dtjB-3jyfA:
21.69
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.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		4 GLY A 470
GLU A 471
ALA A 472
ILE A 479
 None
 0.84A 2dtjA-3l6gA:
undetectable
2dtjB-3l6gA:
undetectable		 2dtjA-3l6gA:
23.90
2dtjB-3l6gA:
23.90
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 ASP A 280
GLY A 283
ALA A 285
GLN A 304
ASN A 557
ILE A 558
 THR  A 601 (-4.0A)
THR  A 601 (-4.1A)
THR  A 601 (-3.6A)
THR  A 601 (-2.6A)
THR  A 601 (-3.1A)
THR  A 601 (-3.7A)
 0.32A 2dtjA-3l76A:
21.4
2dtjB-3l76A:
21.3		 2dtjA-3l76A:
14.33
2dtjB-3l76A:
14.33
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 ASP A 454
GLY A 457
ALA A 459
GLN A 478
ASN A 385
ILE A 386
 THR  A 602 (-3.7A)
THR  A 602 (-4.0A)
THR  A 602 (-3.8A)
THR  A 602 (-2.5A)
THR  A 602 (-3.0A)
THR  A 602 (-3.7A)
 0.24A 2dtjA-3l76A:
21.4
2dtjB-3l76A:
21.3		 2dtjA-3l76A:
14.33
2dtjB-3l76A:
14.33
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A  49
GLY A  21
GLU A  44
ILE A 215
 None
FDA  A 547 ( 4.7A)
FDA  A 547 (-2.7A)
None
 0.72A 2dtjA-3ljpA:
undetectable
2dtjB-3ljpA:
undetectable		 2dtjA-3ljpA:
18.26
2dtjB-3ljpA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 ASP A 149
GLY A 143
GLU A 146
ILE A 158
 GOL  A   3 (-2.8A)
None
None
None
 0.80A 2dtjA-3mtwA:
undetectable
2dtjB-3mtwA:
undetectable		 2dtjA-3mtwA:
19.95
2dtjB-3mtwA:
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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 GLY A1285
ALA A1228
ASN A1116
ILE A1117
 None
 0.75A 2dtjA-3n7kA:
undetectable
2dtjB-3n7kA:
undetectable		 2dtjA-3n7kA:
18.03
2dtjB-3n7kA:
18.03
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.
3pm8 CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF13499
(EF-hand_7) 		4 ASP A 501
GLY A 498
GLU A 499
ASN A 495
 NA  A 516 ( 3.9A)
None
None
CA  A 514 (-3.0A)
 0.77A 2dtjA-3pm8A:
undetectable
2dtjB-3pm8A:
undetectable		 2dtjA-3pm8A:
23.58
2dtjB-3pm8A:
23.58
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ASP A 227
GLY A  59
THR A  55
ILE A 111
 None
FAD  A 401 (-4.1A)
None
None
 0.85A 2dtjA-3qj4A:
undetectable
2dtjB-3qj4A:
undetectable		 2dtjA-3qj4A:
20.17
2dtjB-3qj4A:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s1t ASPARTOKINASE

(Mycobacterium
tuberculosis) 		PF01842
(ACT)
PF13840
(ACT_7) 		5 ASP A  25
GLY A  28
ALA A  30
GLN A  49
THR A  59
 THR  A 301 (-3.7A)
THR  A 301 (-4.0A)
THR  A 301 (-3.5A)
THR  A 301 (-2.7A)
THR  A 301 (-4.8A)
 0.14A 2dtjA-3s1tA:
24.9
2dtjB-3s1tA:
24.6		 2dtjA-3s1tA:
67.96
2dtjB-3s1tA:
67.96
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.
3s4t AMIDOHYDROLASE 2

(Polaromonas sp.
JS666) 		PF04909
(Amidohydro_2) 		4 GLY A 316
ALA A 318
THR A 260
ILE A   5
 None
 0.85A 2dtjA-3s4tA:
undetectable
2dtjB-3s4tA:
undetectable		 2dtjA-3s4tA:
20.88
2dtjB-3s4tA:
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 447
GLU A 469
ALA A 468
ILE A 471
 None
 0.62A 2dtjA-3t6wA:
undetectable
2dtjB-3t6wA:
undetectable		 2dtjA-3t6wA:
15.76
2dtjB-3t6wA:
15.76
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.
3uf4 TYROSINE-PROTEIN
KINASE FYN, ISOFORM
2

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 GLY A 131
GLU A 121
ALA A 122
ILE A 133
 None
 0.70A 2dtjA-3uf4A:
undetectable
2dtjB-3uf4A:
undetectable		 2dtjA-3uf4A:
23.41
2dtjB-3uf4A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zl7 FYNOMER 2B-H11

(synthetic
construct) 		PF00018
(SH3_1) 		4 GLY C  57
GLU C  47
ALA C  48
ILE C  59
 None
 0.57A 2dtjA-3zl7C:
undetectable
2dtjB-3zl7C:
undetectable		 2dtjA-3zl7C:
20.00
2dtjB-3zl7C:
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.
3zx9 CAPSID PROTEIN

(Turnip crinkle
virus) 		PF00729
(Viral_coat) 		4 GLY A 114
GLU A 112
ALA A 106
ILE A  90
 None
 0.84A 2dtjA-3zx9A:
undetectable
2dtjB-3zx9A:
undetectable		 2dtjA-3zx9A:
21.26
2dtjB-3zx9A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ag2 FYNOMER

(synthetic
construct) 		PF00018
(SH3_1) 		4 GLY C  49
GLU C  39
ALA C  40
ILE C  51
 NA  C1061 ( 4.4A)
None
None
None
 0.69A 2dtjA-4ag2C:
undetectable
2dtjB-4ag2C:
undetectable		 2dtjA-4ag2C:
19.44
2dtjB-4ag2C:
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLU A 473
ALA A 469
THR A 415
ILE A 411
 None
 0.85A 2dtjA-4akoA:
undetectable
2dtjB-4akoA:
undetectable		 2dtjA-4akoA:
16.76
2dtjB-4akoA:
16.76
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		4 GLY A 185
ALA A 183
THR A 106
ILE A  31
 None
 0.78A 2dtjA-4bmrA:
undetectable
2dtjB-4bmrA:
undetectable		 2dtjA-4bmrA:
20.49
2dtjB-4bmrA:
20.49
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.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		4 ASP A 495
GLY A 380
ALA A 397
THR A 504
 None
 0.73A 2dtjA-4cvcA:
undetectable
2dtjB-4cvcA:
undetectable		 2dtjA-4cvcA:
15.91
2dtjB-4cvcA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		4 GLY A  19
GLU A  18
ALA A  17
ILE A 139
 GLY  A  19 ( 0.0A)
GLU  A  18 ( 0.6A)
ALA  A  17 ( 0.0A)
ILE  A 139 ( 0.5A)
 0.75A 2dtjA-4egsA:
undetectable
2dtjB-4egsA:
undetectable		 2dtjA-4egsA:
23.21
2dtjB-4egsA:
23.21
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.
4evz HISF-LUCA

(synthetic
construct) 		PF00977
(His_biosynth) 		4 ALA A 131
THR A 149
ASN A 103
ILE A 129
 None
None
PI  A 302 (-3.9A)
None
 0.78A 2dtjA-4evzA:
undetectable
2dtjB-4evzA:
undetectable		 2dtjA-4evzA:
24.09
2dtjB-4evzA:
24.09
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.
4fmg VP1

(Human
polyomavirus 5) 		PF00718
(Polyoma_coat) 		4 GLY A 274
GLU A 124
ALA A 125
ASN A 240
 None
 0.72A 2dtjA-4fmgA:
undetectable
2dtjB-4fmgA:
undetectable		 2dtjA-4fmgA:
22.53
2dtjB-4fmgA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4go5 ASPARTOKINASE

(Mycobacterium
tuberculosis) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 ASP X  25
GLY X  28
ALA X  30
GLN X  49
 None
 0.53A 2dtjA-4go5X:
22.2
2dtjB-4go5X:
22.3		 2dtjA-4go5X:
61.50
2dtjB-4go5X:
61.50
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		4 GLY A 223
GLU A 202
ALA A 226
ILE A 200
 EDO  A 904 (-4.6A)
None
EDO  A 904 ( 4.9A)
None
 0.86A 2dtjA-4gt6A:
undetectable
2dtjB-4gt6A:
undetectable		 2dtjA-4gt6A:
19.44
2dtjB-4gt6A:
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.
4h8q IRON
TRANSPORT-ASSOCIATED
DOMAIN PROTEIN

(Bacillus
anthracis) 		PF05031
(NEAT) 		4 GLU A  87
ALA A  88
THR A  61
ILE A  46
 None
 0.79A 2dtjA-4h8qA:
undetectable
2dtjB-4h8qA:
undetectable		 2dtjA-4h8qA:
24.29
2dtjB-4h8qA:
24.29
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.
4hu3 OXYGEN SENSOR
PROTEIN DOSP

(Escherichia
coli) 		PF00563
(EAL) 		4 GLY A 755
GLU A 754
ALA A 753
ILE A 773
 None
 0.79A 2dtjA-4hu3A:
undetectable
2dtjB-4hu3A:
undetectable		 2dtjA-4hu3A:
18.34
2dtjB-4hu3A:
18.34
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.
4iys METAL TRANSPORTER
CNNM2

(Homo sapiens) 		PF00571
(CBS) 		4 GLY A 461
GLU A 462
ALA A 463
ILE A 459
 None
 0.74A 2dtjA-4iysA:
undetectable
2dtjB-4iysA:
undetectable		 2dtjA-4iysA:
23.78
2dtjB-4iysA:
23.78
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.
4j9j IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 ALA A  35
THR A  53
ASN A   7
ILE A  33
 None
 0.83A 2dtjA-4j9jA:
undetectable
2dtjB-4j9jA:
undetectable		 2dtjA-4j9jA:
22.89
2dtjB-4j9jA:
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.
4j9j IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 ALA A 156
THR A 174
ASN A 128
ILE A 154
 None
 0.79A 2dtjA-4j9jA:
undetectable
2dtjB-4j9jA:
undetectable		 2dtjA-4j9jA:
22.89
2dtjB-4j9jA:
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.
4jcd MAJOR CAPSID PROTEIN
VP1

(Human
polyomavirus 2) 		PF00718
(Polyoma_coat) 		4 GLY A 243
GLU A 103
ALA A 104
ASN A 209
 None
 0.76A 2dtjA-4jcdA:
undetectable
2dtjB-4jcdA:
undetectable		 2dtjA-4jcdA:
21.45
2dtjB-4jcdA:
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.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 444
GLU A 466
ALA A 465
ILE A 468
 None
 0.56A 2dtjA-4jhvA:
undetectable
2dtjB-4jhvA:
undetectable		 2dtjA-4jhvA:
17.58
2dtjB-4jhvA:
17.58
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 ASP A 344
GLY A 420
THR A 347
ASN A 416
 ASP  A 344 ( 0.6A)
GLY  A 420 ( 0.0A)
THR  A 347 ( 0.8A)
ASN  A 416 ( 0.6A)
 0.77A 2dtjA-4kqnA:
undetectable
2dtjB-4kqnA:
undetectable		 2dtjA-4kqnA:
15.84
2dtjB-4kqnA:
15.84
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.
4mj0 VP1 CAPSID PROTEIN

(Human
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 GLY A 251
GLU A 111
ALA A 112
ASN A 217
 None
 0.78A 2dtjA-4mj0A:
undetectable
2dtjB-4mj0A:
undetectable		 2dtjA-4mj0A:
20.30
2dtjB-4mj0A:
20.30
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		4 GLY A 105
ALA A 109
ASN A  93
ILE A 250
 None
 0.83A 2dtjA-4msoA:
undetectable
2dtjB-4msoA:
undetectable		 2dtjA-4msoA:
19.63
2dtjB-4msoA:
19.63
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		4 GLY A 223
GLU A  51
ASN A  22
ILE A 221
 None
 0.79A 2dtjA-4ou2A:
undetectable
2dtjB-4ou2A:
undetectable		 2dtjA-4ou2A:
15.94
2dtjB-4ou2A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		4 GLY A 235
GLU A  99
ALA A 100
ASN A 201
 None
 0.76A 2dtjA-4pcgA:
undetectable
2dtjB-4pcgA:
undetectable		 2dtjA-4pcgA:
22.76
2dtjB-4pcgA:
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		4 GLY A 154
ALA A 152
THR A 404
ILE A 158
 None
 0.73A 2dtjA-4pj1A:
undetectable
2dtjB-4pj1A:
undetectable		 2dtjA-4pj1A:
16.46
2dtjB-4pj1A:
16.46
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.
4pot VP1

(Human
polyomavirus 9) 		PF00718
(Polyoma_coat) 		4 GLY A 255
GLU A 114
ALA A 115
ASN A 221
 None
 0.77A 2dtjA-4potA:
undetectable
2dtjB-4potA:
undetectable		 2dtjA-4potA:
21.58
2dtjB-4potA:
21.58
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.
4q1t GLUTAMATE 5-KINASE

(Burkholderia
thailandensis) 		PF00696
(AA_kinase)
PF01472
(PUA) 		4 ASP A 141
GLY A  83
ALA A  79
ILE A  57
 None
 0.77A 2dtjA-4q1tA:
undetectable
2dtjB-4q1tA:
undetectable		 2dtjA-4q1tA:
20.63
2dtjB-4q1tA:
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		4 GLY A 257
GLU A 114
ALA A 115
ASN A 223
 EDO  A 406 (-4.5A)
None
None
EDO  A 406 (-4.2A)
 0.75A 2dtjA-4u60A:
undetectable
2dtjB-4u60A:
undetectable		 2dtjA-4u60A:
20.69
2dtjB-4u60A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uij BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
1

(Homo sapiens) 		PF02214
(BTB_2) 		4 GLY A 119
GLU A 120
ALA A 121
THR A  95
 None
 0.69A 2dtjA-4uijA:
undetectable
2dtjB-4uijA:
undetectable		 2dtjA-4uijA:
25.57
2dtjB-4uijA:
25.57
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.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		4 GLY A  28
ALA A  30
THR A  48
ILE A 128
 IPA  A 204 (-3.3A)
None
None
GOL  A 213 (-4.0A)
 0.68A 2dtjA-4wqlA:
undetectable
2dtjB-4wqlA:
undetectable		 2dtjA-4wqlA:
21.43
2dtjB-4wqlA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		4 GLY A  14
ALA A  94
ASN A  34
ILE A  10
 None
None
GDP  A 401 ( 4.6A)
None
 0.83A 2dtjA-4xcqA:
undetectable
2dtjB-4xcqA:
undetectable		 2dtjA-4xcqA:
21.18
2dtjB-4xcqA:
21.18
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 GLY A 759
GLU A 758
ALA A 669
ILE A 762
 None
 0.84A 2dtjA-4zg7A:
undetectable
2dtjB-4zg7A:
undetectable		 2dtjA-4zg7A:
12.78
2dtjB-4zg7A:
12.78
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		4 GLY A  46
GLU A  47
ALA A  48
ILE A  37
 None
 0.74A 2dtjA-5djiA:
undetectable
2dtjB-5djiA:
undetectable		 2dtjA-5djiA:
21.12
2dtjB-5djiA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 GLY A 493
ALA A 451
THR A 440
ILE A 495
 None
 0.80A 2dtjA-5e0cA:
undetectable
2dtjB-5e0cA:
undetectable		 2dtjA-5e0cA:
16.57
2dtjB-5e0cA:
16.57
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 GLY A 243
GLU A 244
ASN A 238
ILE A 237
 None
None
NAG  A 603 (-1.9A)
None
 0.79A 2dtjA-5la7A:
undetectable
2dtjB-5la7A:
undetectable		 2dtjA-5la7A:
15.78
2dtjB-5la7A:
15.78
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.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 447
GLU A 469
ALA A 468
ILE A 471
 None
 0.64A 2dtjA-5mewA:
undetectable
2dtjB-5mewA:
undetectable		 2dtjA-5mewA:
16.33
2dtjB-5mewA:
16.33
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		4 GLY N 292
GLN N 766
ASN N 288
ILE N 289
 None
 0.81A 2dtjA-5mpdN:
undetectable
2dtjB-5mpdN:
undetectable		 2dtjA-5mpdN:
11.43
2dtjB-5mpdN:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngj TAIL TUBE PROTEIN

(Escherichia
virus T5) 		no annotation 4 GLY A  37
GLU A  69
ALA A  68
ILE A 147
 None
 0.78A 2dtjA-5ngjA:
undetectable
2dtjB-5ngjA:
undetectable		 2dtjA-5ngjA:
undetectable
2dtjB-5ngjA:
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.
5ulj RAI1

(Scheffersomyces
stipitis) 		PF08652
(RAI1) 		4 GLY A 219
GLU A 220
ALA A 221
ILE A 337
 None
 0.65A 2dtjA-5uljA:
undetectable
2dtjB-5uljA:
undetectable		 2dtjA-5uljA:
17.16
2dtjB-5uljA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7v -

(-) 		no annotation 4 ALA A 131
THR A 149
ASN A 103
ILE A 129
 None
 0.81A 2dtjA-6c7vA:
undetectable
2dtjB-6c7vA:
undetectable		 2dtjA-6c7vA:
undetectable
2dtjB-6c7vA:
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 GLY H 218
GLU H 277
ALA H 273
ILE H 222
 None
 0.84A 2dtjA-6chsH:
undetectable
2dtjB-6chsH:
undetectable		 2dtjA-6chsH:
undetectable
2dtjB-6chsH:
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.
6d0g PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 ASP A 142
GLY A  80
ALA A 139
ILE A 263
 None
 0.67A 2dtjA-6d0gA:
undetectable
2dtjB-6d0gA:
undetectable		 2dtjA-6d0gA:
undetectable
2dtjB-6d0gA:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 GLU A1042
ALA A1041
ASN A 917
ILE A 919
 None
 0.77A 2dtjA-6fuyA:
undetectable
2dtjB-6fuyA:
undetectable		 2dtjA-6fuyA:
undetectable
2dtjB-6fuyA:
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.
6gu8 -

(-) 		no annotation 4 GLY A 169
GLU A 170
ALA A 171
THR A 188
 None
PEG  A 509 (-3.6A)
None
None
 0.77A 2dtjA-6gu8A:
undetectable
2dtjB-6gu8A:
undetectable		 2dtjA-6gu8A:
undetectable
2dtjB-6gu8A:
undetectable