SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z90_F_4LEF401_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.
1d1u PROTEIN (REVERSE
TRANSCRIPTASE)

(Murine leukemia
virus) 		PF00078
(RVT_1) 		4 LEU A 219
THR A 246
LEU A 247
LEU A 243
 None
 0.65A 4z90F-1d1uA:
0.0
4z90G-1d1uA:
0.0
4z90H-1d1uA:
0.0
4z90I-1d1uA:
0.0
4z90J-1d1uA:
0.0		 4z90F-1d1uA:
21.78
4z90G-1d1uA:
21.78
4z90H-1d1uA:
21.78
4z90I-1d1uA:
21.78
4z90J-1d1uA:
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.
1dex RHAMNOGALACTURONAN
ACETYLESTERASE

(Aspergillus
aculeatus) 		PF13472
(Lipase_GDSL_2) 		4 LEU A  27
THR A 224
LEU A 223
LEU A  31
 None
 0.71A 4z90F-1dexA:
0.0
4z90G-1dexA:
0.0
4z90H-1dexA:
0.0
4z90I-1dexA:
0.0
4z90J-1dexA:
0.0		 4z90F-1dexA:
20.85
4z90G-1dexA:
20.85
4z90H-1dexA:
20.85
4z90I-1dexA:
20.85
4z90J-1dexA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 LEU A 247
LEU A 402
THR A 252
LEU A 262
 None
 0.78A 4z90F-1fcpA:
0.1
4z90G-1fcpA:
0.0
4z90H-1fcpA:
0.3
4z90I-1fcpA:
0.1
4z90J-1fcpA:
0.1		 4z90F-1fcpA:
17.13
4z90G-1fcpA:
17.13
4z90H-1fcpA:
17.13
4z90I-1fcpA:
17.13
4z90J-1fcpA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qc7 PROTEIN (FLIG)

(Thermotoga
maritima) 		PF01706
(FliG_C) 		4 LEU A 288
LEU A 253
THR A 258
LEU A 261
 None
 0.66A 4z90F-1qc7A:
undetectable
4z90G-1qc7A:
undetectable
4z90H-1qc7A:
undetectable
4z90I-1qc7A:
undetectable
4z90J-1qc7A:
undetectable		 4z90F-1qc7A:
13.71
4z90G-1qc7A:
13.71
4z90H-1qc7A:
13.71
4z90I-1qc7A:
13.71
4z90J-1qc7A:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqg CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF01627
(Hpt) 		4 LEU A  44
THR A  23
LEU A  24
LEU A  20
 None
 0.78A 4z90F-1tqgA:
3.1
4z90G-1tqgA:
3.3
4z90H-1tqgA:
4.3
4z90I-1tqgA:
3.3
4z90J-1tqgA:
3.3		 4z90F-1tqgA:
14.42
4z90G-1tqgA:
14.42
4z90H-1tqgA:
14.42
4z90I-1tqgA:
14.42
4z90J-1tqgA:
14.42
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.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Escherichia
coli) 		PF00581
(Rhodanese) 		4 LEU A 253
LEU A 212
THR A 215
LEU A 218
 None
 0.76A 4z90F-1urhA:
0.0
4z90G-1urhA:
0.0
4z90H-1urhA:
0.0
4z90I-1urhA:
0.0
4z90J-1urhA:
0.0		 4z90F-1urhA:
21.97
4z90G-1urhA:
21.97
4z90H-1urhA:
21.97
4z90I-1urhA:
21.97
4z90J-1urhA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9a UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 THR A  18
LEU A  17
LEU A  82
LEU A  25
 None
 0.73A 4z90F-1v9aA:
0.0
4z90G-1v9aA:
0.0
4z90H-1v9aA:
0.0
4z90I-1v9aA:
0.0
4z90J-1v9aA:
0.0		 4z90F-1v9aA:
19.52
4z90G-1v9aA:
19.52
4z90H-1v9aA:
19.52
4z90I-1v9aA:
19.52
4z90J-1v9aA:
19.52
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.
1wgm UBIQUITIN
CONJUGATION FACTOR
E4A

(Homo sapiens) 		PF04564
(U-box) 		4 LEU A  54
LEU A  38
THR A  59
LEU A  67
 None
 0.79A 4z90F-1wgmA:
undetectable
4z90G-1wgmA:
undetectable
4z90H-1wgmA:
undetectable
4z90I-1wgmA:
undetectable
4z90J-1wgmA:
undetectable		 4z90F-1wgmA:
16.90
4z90G-1wgmA:
16.90
4z90H-1wgmA:
16.90
4z90I-1wgmA:
16.90
4z90J-1wgmA:
16.90
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.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 275
THR A 236
LEU A 239
LEU A 267
 None
 0.76A 4z90F-1wwkA:
0.0
4z90G-1wwkA:
0.0
4z90H-1wwkA:
0.0
4z90I-1wwkA:
0.0
4z90J-1wwkA:
0.0		 4z90F-1wwkA:
17.70
4z90G-1wwkA:
17.70
4z90H-1wwkA:
17.70
4z90I-1wwkA:
17.70
4z90J-1wwkA:
17.70
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.
1x77 CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF03358
(FMN_red) 		4 LEU A  91
THR A 133
LEU A 134
LEU A 130
 None
 0.77A 4z90F-1x77A:
0.0
4z90G-1x77A:
0.0
4z90H-1x77A:
0.0
4z90I-1x77A:
0.0
4z90J-1x77A:
0.0		 4z90F-1x77A:
20.56
4z90G-1x77A:
20.56
4z90H-1x77A:
20.56
4z90I-1x77A:
20.56
4z90J-1x77A:
20.56
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.
1zvt TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF03989
(DNA_gyraseA_C) 		4 THR A 647
LEU A 686
LEU A 643
LEU A 689
 None
 0.78A 4z90F-1zvtA:
0.0
4z90G-1zvtA:
0.0
4z90H-1zvtA:
0.0
4z90I-1zvtA:
0.0
4z90J-1zvtA:
0.0		 4z90F-1zvtA:
20.61
4z90G-1zvtA:
20.61
4z90H-1zvtA:
20.61
4z90I-1zvtA:
20.61
4z90J-1zvtA:
20.61
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
GAMMA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF04268
(SoxG) 		4 LEU C  45
THR C  41
LEU C  99
LEU C 103
 None
 0.73A 4z90F-2gahC:
0.0
4z90G-2gahC:
0.0
4z90H-2gahC:
0.0
4z90I-2gahC:
0.0
4z90J-2gahC:
0.0		 4z90F-2gahC:
20.12
4z90G-2gahC:
20.12
4z90H-2gahC:
20.12
4z90I-2gahC:
20.12
4z90J-2gahC:
20.12
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.
2gau TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY

(Porphyromonas
gingivalis) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A 210
THR A 200
THR A 228
LEU A 225
 None
 0.78A 4z90F-2gauA:
undetectable
4z90G-2gauA:
undetectable
4z90H-2gauA:
undetectable
4z90I-2gauA:
undetectable
4z90J-2gauA:
undetectable		 4z90F-2gauA:
21.74
4z90G-2gauA:
21.74
4z90H-2gauA:
21.74
4z90I-2gauA:
21.74
4z90J-2gauA:
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.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		4 LEU A  32
LEU A  13
THR A  60
LEU A  63
 None
 0.75A 4z90F-2gszA:
undetectable
4z90G-2gszA:
undetectable
4z90H-2gszA:
undetectable
4z90I-2gszA:
undetectable
4z90J-2gszA:
undetectable		 4z90F-2gszA:
21.15
4z90G-2gszA:
21.15
4z90H-2gszA:
21.15
4z90I-2gszA:
21.15
4z90J-2gszA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iih MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
C

(Thermus
thermophilus) 		PF01967
(MoaC) 		4 LEU A 135
LEU A  42
THR A  35
LEU A  34
 None
 0.74A 4z90F-2iihA:
undetectable
4z90G-2iihA:
undetectable
4z90H-2iihA:
undetectable
4z90I-2iihA:
undetectable
4z90J-2iihA:
undetectable		 4z90F-2iihA:
18.38
4z90G-2iihA:
18.38
4z90H-2iihA:
18.38
4z90I-2iihA:
18.38
4z90J-2iihA:
18.38
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.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		4 LEU A  80
LEU A 112
THR A  83
LEU A  84
 None
 0.68A 4z90F-2ixmA:
undetectable
4z90G-2ixmA:
undetectable
4z90H-2ixmA:
undetectable
4z90I-2ixmA:
undetectable
4z90J-2ixmA:
undetectable		 4z90F-2ixmA:
19.58
4z90G-2ixmA:
19.58
4z90H-2ixmA:
19.58
4z90I-2ixmA:
19.58
4z90J-2ixmA:
19.58
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.
2jsw TALIN-1

(Mus musculus) 		PF01608
(I_LWEQ) 		4 THR A2356
LEU A2359
THR A2435
LEU A2438
 None
 0.79A 4z90F-2jswA:
2.7
4z90G-2jswA:
3.1
4z90H-2jswA:
3.1
4z90I-2jswA:
3.1
4z90J-2jswA:
3.1		 4z90F-2jswA:
18.92
4z90G-2jswA:
18.92
4z90H-2jswA:
18.92
4z90I-2jswA:
18.92
4z90J-2jswA:
18.92
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		4 LEU A  88
THR A  25
THR A  91
LEU A  92
 None
 0.78A 4z90F-2nrjA:
3.6
4z90G-2nrjA:
3.5
4z90H-2nrjA:
3.5
4z90I-2nrjA:
3.5
4z90J-2nrjA:
3.6		 4z90F-2nrjA:
23.33
4z90G-2nrjA:
23.33
4z90H-2nrjA:
23.33
4z90I-2nrjA:
23.33
4z90J-2nrjA:
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.
2q1z ANTI-SIGMA FACTOR
CHRR,
TRANSCRIPTIONAL
ACTIVATOR CHRR

(Rhodobacter
sphaeroides) 		PF12973
(Cupin_7)
PF13490
(zf-HC2) 		4 LEU B 129
THR B 121
LEU B  26
LEU B 190
 None
 0.72A 4z90F-2q1zB:
undetectable
4z90G-2q1zB:
undetectable
4z90H-2q1zB:
undetectable
4z90I-2q1zB:
undetectable
4z90J-2q1zB:
undetectable		 4z90F-2q1zB:
21.63
4z90G-2q1zB:
21.63
4z90H-2q1zB:
21.63
4z90I-2q1zB:
21.63
4z90J-2q1zB:
21.63
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		4 LEU A  68
THR A 166
LEU A 149
LEU A 156
 None
 0.74A 4z90F-2qvpA:
undetectable
4z90G-2qvpA:
undetectable
4z90H-2qvpA:
undetectable
4z90I-2qvpA:
undetectable
4z90J-2qvpA:
undetectable		 4z90F-2qvpA:
21.69
4z90G-2qvpA:
21.69
4z90H-2qvpA:
21.69
4z90I-2qvpA:
21.69
4z90J-2qvpA:
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.
2vvy PROTEIN B15

(Vaccinia virus) 		PF06227
(Poxvirus) 		4 LEU A  20
THR A  53
LEU A  54
LEU A  50
 None
 0.74A 4z90F-2vvyA:
undetectable
4z90G-2vvyA:
2.1
4z90H-2vvyA:
2.1
4z90I-2vvyA:
undetectable
4z90J-2vvyA:
undetectable		 4z90F-2vvyA:
20.34
4z90G-2vvyA:
20.34
4z90H-2vvyA:
20.34
4z90I-2vvyA:
20.34
4z90J-2vvyA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU A 156
THR A 216
LEU A 217
LEU A 213
 None
 0.72A 4z90F-2yxzA:
undetectable
4z90G-2yxzA:
undetectable
4z90H-2yxzA:
undetectable
4z90I-2yxzA:
undetectable
4z90J-2yxzA:
undetectable		 4z90F-2yxzA:
24.86
4z90G-2yxzA:
24.86
4z90H-2yxzA:
24.86
4z90I-2yxzA:
24.86
4z90J-2yxzA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yy6 PHOSPHOGLYCOLATE
PHOSPHATASE

(Aquifex
aeolicus) 		PF13419
(HAD_2) 		4 LEU A  51
THR A  26
LEU A  27
LEU A  23
 None
 0.73A 4z90F-2yy6A:
undetectable
4z90G-2yy6A:
undetectable
4z90H-2yy6A:
undetectable
4z90I-2yy6A:
undetectable
4z90J-2yy6A:
undetectable		 4z90F-2yy6A:
20.86
4z90G-2yy6A:
20.86
4z90H-2yy6A:
20.86
4z90I-2yy6A:
20.86
4z90J-2yy6A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  95
THR A  79
LEU A 155
LEU A 131
 None
 0.74A 4z90F-3abgA:
undetectable
4z90G-3abgA:
undetectable
4z90H-3abgA:
undetectable
4z90I-3abgA:
undetectable
4z90J-3abgA:
undetectable		 4z90F-3abgA:
20.86
4z90G-3abgA:
20.86
4z90H-3abgA:
20.86
4z90I-3abgA:
20.86
4z90J-3abgA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b2y METALLOPEPTIDASE
CONTAINING
CO-CATALYTIC
METALLOACTIVE SITE

(Shewanella
denitrificans) 		PF04952
(AstE_AspA) 		4 LEU A  69
THR A 167
LEU A 150
LEU A 157
 None
 0.75A 4z90F-3b2yA:
undetectable
4z90G-3b2yA:
undetectable
4z90H-3b2yA:
undetectable
4z90I-3b2yA:
undetectable
4z90J-3b2yA:
undetectable		 4z90F-3b2yA:
20.18
4z90G-3b2yA:
20.18
4z90H-3b2yA:
20.18
4z90I-3b2yA:
20.18
4z90J-3b2yA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bee PUTATIVE YFRE
PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 4 LEU A 178
THR A 207
LEU A 210
LEU A 188
 None
 0.67A 4z90F-3beeA:
undetectable
4z90G-3beeA:
undetectable
4z90H-3beeA:
2.3
4z90I-3beeA:
2.3
4z90J-3beeA:
2.3		 4z90F-3beeA:
15.00
4z90G-3beeA:
15.00
4z90H-3beeA:
15.00
4z90I-3beeA:
15.00
4z90J-3beeA:
15.00
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 LEU A  39
THR A  17
LEU A 129
LEU A  84
 None
 0.65A 4z90F-3bzjA:
undetectable
4z90G-3bzjA:
undetectable
4z90H-3bzjA:
undetectable
4z90I-3bzjA:
undetectable
4z90J-3bzjA:
undetectable		 4z90F-3bzjA:
21.26
4z90G-3bzjA:
21.26
4z90H-3bzjA:
21.26
4z90I-3bzjA:
21.26
4z90J-3bzjA:
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.
3ch4 PHOSPHOMEVALONATE
KINASE

(Homo sapiens) 		PF04275
(P-mevalo_kinase) 		4 LEU B 105
LEU B 184
THR B  26
LEU B  29
 None
MPD  B 204 ( 4.3A)
None
None
 0.63A 4z90F-3ch4B:
undetectable
4z90G-3ch4B:
undetectable
4z90H-3ch4B:
undetectable
4z90I-3ch4B:
undetectable
4z90J-3ch4B:
undetectable		 4z90F-3ch4B:
18.63
4z90G-3ch4B:
18.63
4z90H-3ch4B:
18.63
4z90I-3ch4B:
18.63
4z90J-3ch4B:
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 4 LEU S 416
THR L 263
LEU S 437
LEU S 441
 None
 0.74A 4z90F-3g9kS:
undetectable
4z90G-3g9kS:
undetectable
4z90H-3g9kS:
undetectable
4z90I-3g9kS:
undetectable
4z90J-3g9kS:
undetectable		 4z90F-3g9kS:
19.63
4z90G-3g9kS:
19.63
4z90H-3g9kS:
19.63
4z90I-3g9kS:
19.63
4z90J-3g9kS:
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.
3hl0 MALEYLACETATE
REDUCTASE

(Agrobacterium
fabrum) 		PF00465
(Fe-ADH) 		4 LEU A 304
THR A 264
LEU A 241
LEU A 245
 None
 0.75A 4z90F-3hl0A:
undetectable
4z90G-3hl0A:
undetectable
4z90H-3hl0A:
undetectable
4z90I-3hl0A:
undetectable
4z90J-3hl0A:
undetectable		 4z90F-3hl0A:
21.41
4z90G-3hl0A:
21.41
4z90H-3hl0A:
21.41
4z90I-3hl0A:
21.41
4z90J-3hl0A:
21.41
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.
3ieh PUTATIVE
METALLOPEPTIDASE

(Shewanella
baltica) 		PF04952
(AstE_AspA) 		4 LEU A  69
THR A 167
LEU A 150
LEU A 157
 None
 0.72A 4z90F-3iehA:
undetectable
4z90G-3iehA:
undetectable
4z90H-3iehA:
undetectable
4z90I-3iehA:
undetectable
4z90J-3iehA:
undetectable		 4z90F-3iehA:
22.12
4z90G-3iehA:
22.12
4z90H-3iehA:
22.12
4z90I-3iehA:
22.12
4z90J-3iehA:
22.12
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 LEU D 137
THR D 333
THR D 163
LEU D 162
 None
 0.73A 4z90F-3k70D:
undetectable
4z90G-3k70D:
undetectable
4z90H-3k70D:
undetectable
4z90I-3k70D:
undetectable
4z90J-3k70D:
undetectable		 4z90F-3k70D:
19.66
4z90G-3k70D:
19.66
4z90H-3k70D:
19.66
4z90I-3k70D:
19.66
4z90J-3k70D:
19.66
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 THR D 333
THR D 163
LEU D 162
LEU D 137
 None
 0.67A 4z90F-3k70D:
undetectable
4z90G-3k70D:
undetectable
4z90H-3k70D:
undetectable
4z90I-3k70D:
undetectable
4z90J-3k70D:
undetectable		 4z90F-3k70D:
19.66
4z90G-3k70D:
19.66
4z90H-3k70D:
19.66
4z90I-3k70D:
19.66
4z90J-3k70D:
19.66
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.
3k8p DSL1

(Kluyveromyces
lactis) 		PF11989
(Dsl1_C) 		4 LEU C 507
THR C 480
THR C 556
LEU C 511
 None
 0.70A 4z90F-3k8pC:
4.3
4z90G-3k8pC:
4.4
4z90H-3k8pC:
4.4
4z90I-3k8pC:
4.5
4z90J-3k8pC:
4.4		 4z90F-3k8pC:
21.22
4z90G-3k8pC:
21.22
4z90H-3k8pC:
21.22
4z90I-3k8pC:
21.22
4z90J-3k8pC:
21.22
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.
3k8p DSL1

(Kluyveromyces
lactis) 		PF11989
(Dsl1_C) 		4 THR C 480
THR C 556
LEU C 511
LEU C 507
 None
 0.75A 4z90F-3k8pC:
4.3
4z90G-3k8pC:
4.4
4z90H-3k8pC:
4.4
4z90I-3k8pC:
4.5
4z90J-3k8pC:
4.4		 4z90F-3k8pC:
21.22
4z90G-3k8pC:
21.22
4z90H-3k8pC:
21.22
4z90I-3k8pC:
21.22
4z90J-3k8pC:
21.22
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 LEU A 167
THR A 201
THR A 197
LEU A 198
LEU A 194
 None
 1.00A 4z90F-3ldaA:
undetectable
4z90G-3ldaA:
undetectable
4z90H-3ldaA:
undetectable
4z90I-3ldaA:
undetectable
4z90J-3ldaA:
undetectable		 4z90F-3ldaA:
22.75
4z90G-3ldaA:
22.75
4z90H-3ldaA:
22.75
4z90I-3ldaA:
22.75
4z90J-3ldaA:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 LEU A 562
THR A 566
LEU A 578
LEU A 559
 None
 0.77A 4z90F-3m07A:
undetectable
4z90G-3m07A:
undetectable
4z90H-3m07A:
undetectable
4z90I-3m07A:
undetectable
4z90J-3m07A:
undetectable		 4z90F-3m07A:
19.20
4z90G-3m07A:
19.20
4z90H-3m07A:
19.20
4z90I-3m07A:
19.20
4z90J-3m07A:
19.20
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		4 LEU A 916
LEU A 900
THR A 921
LEU A 929
 None
 0.77A 4z90F-3m62A:
4.6
4z90G-3m62A:
3.8
4z90H-3m62A:
4.6
4z90I-3m62A:
4.5
4z90J-3m62A:
4.6		 4z90F-3m62A:
16.38
4z90G-3m62A:
16.38
4z90H-3m62A:
16.38
4z90I-3m62A:
16.38
4z90J-3m62A:
16.38
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		4 LEU A 373
THR A 382
LEU A 500
LEU A 371
 None
 0.72A 4z90F-3mpnA:
undetectable
4z90G-3mpnA:
undetectable
4z90H-3mpnA:
undetectable
4z90I-3mpnA:
undetectable
4z90J-3mpnA:
undetectable		 4z90F-3mpnA:
21.19
4z90G-3mpnA:
21.19
4z90H-3mpnA:
21.19
4z90I-3mpnA:
21.19
4z90J-3mpnA:
21.19
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A  71
THR A  58
THR A  74
LEU A  75
 None
 0.67A 4z90F-3oukA:
undetectable
4z90G-3oukA:
undetectable
4z90H-3oukA:
undetectable
4z90I-3oukA:
undetectable
4z90J-3oukA:
undetectable		 4z90F-3oukA:
20.90
4z90G-3oukA:
20.90
4z90H-3oukA:
20.90
4z90I-3oukA:
20.90
4z90J-3oukA:
20.90
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 THR A  58
THR A  74
LEU A  75
LEU A  71
 None
 0.69A 4z90F-3oukA:
undetectable
4z90G-3oukA:
undetectable
4z90H-3oukA:
undetectable
4z90I-3oukA:
undetectable
4z90J-3oukA:
undetectable		 4z90F-3oukA:
20.90
4z90G-3oukA:
20.90
4z90H-3oukA:
20.90
4z90I-3oukA:
20.90
4z90J-3oukA:
20.90
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.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni) 		PF04909
(Amidohydro_2) 		4 THR A 117
LEU A 118
LEU A  93
LEU A 128
 None
None
KCX  A  92 ( 4.6A)
None
 0.63A 4z90F-3pnuA:
undetectable
4z90G-3pnuA:
undetectable
4z90H-3pnuA:
undetectable
4z90I-3pnuA:
undetectable
4z90J-3pnuA:
undetectable		 4z90F-3pnuA:
20.25
4z90G-3pnuA:
20.25
4z90H-3pnuA:
20.25
4z90I-3pnuA:
20.25
4z90J-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 LEU A 852
THR A 764
LEU A 765
LEU A 761
 None
 0.78A 4z90F-3s5kA:
undetectable
4z90G-3s5kA:
undetectable
4z90H-3s5kA:
undetectable
4z90I-3s5kA:
undetectable
4z90J-3s5kA:
undetectable		 4z90F-3s5kA:
13.94
4z90G-3s5kA:
13.94
4z90H-3s5kA:
13.94
4z90I-3s5kA:
13.94
4z90J-3s5kA:
13.94
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.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 LEU A 318
THR A 323
THR A 197
LEU A 310
 None
 0.71A 4z90F-3wv6A:
undetectable
4z90G-3wv6A:
undetectable
4z90H-3wv6A:
undetectable
4z90I-3wv6A:
undetectable
4z90J-3wv6A:
undetectable		 4z90F-3wv6A:
22.54
4z90G-3wv6A:
22.54
4z90H-3wv6A:
22.54
4z90I-3wv6A:
22.54
4z90J-3wv6A:
22.54
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		4 LEU A  43
THR A 212
LEU A 213
LEU A 209
 None
 0.79A 4z90F-3wvoA:
6.1
4z90G-3wvoA:
6.1
4z90H-3wvoA:
5.9
4z90I-3wvoA:
6.0
4z90J-3wvoA:
5.7		 4z90F-3wvoA:
20.11
4z90G-3wvoA:
20.11
4z90H-3wvoA:
20.11
4z90I-3wvoA:
20.11
4z90J-3wvoA:
20.11
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.
3zh7 PROTEIN E

(Haemophilus
influenzae) 		PF16747
(Adhesin_E) 		4 THR A 138
LEU A 140
THR A 135
LEU A 134
 None
EDO  A1154 ( 4.0A)
None
None
 0.77A 4z90F-3zh7A:
undetectable
4z90G-3zh7A:
undetectable
4z90H-3zh7A:
undetectable
4z90I-3zh7A:
undetectable
4z90J-3zh7A:
undetectable		 4z90F-3zh7A:
21.90
4z90G-3zh7A:
21.90
4z90H-3zh7A:
21.90
4z90I-3zh7A:
21.90
4z90J-3zh7A:
21.90
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 THR A 161
LEU A 164
THR A 254
THR A 151
 None
 0.77A 4z90F-4a5gA:
undetectable
4z90G-4a5gA:
undetectable
4z90H-4a5gA:
undetectable
4z90I-4a5gA:
undetectable
4z90J-4a5gA:
undetectable		 4z90F-4a5gA:
19.53
4z90G-4a5gA:
19.53
4z90H-4a5gA:
19.53
4z90I-4a5gA:
19.53
4z90J-4a5gA:
19.53
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.
4b6j PHOSPHOSERINE
PHOSPHATASE

(Thermococcus
onnurineus) 		PF12710
(HAD) 		4 LEU A 185
THR A  83
LEU A  84
LEU A  80
 None
 0.71A 4z90F-4b6jA:
undetectable
4z90G-4b6jA:
undetectable
4z90H-4b6jA:
undetectable
4z90I-4b6jA:
undetectable
4z90J-4b6jA:
undetectable		 4z90F-4b6jA:
21.36
4z90G-4b6jA:
21.36
4z90H-4b6jA:
21.36
4z90I-4b6jA:
21.36
4z90J-4b6jA:
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.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 THR A 189
LEU A 190
LEU A 207
LEU A 194
 None
 0.74A 4z90F-4c75A:
undetectable
4z90G-4c75A:
undetectable
4z90H-4c75A:
undetectable
4z90I-4c75A:
undetectable
4z90J-4c75A:
undetectable		 4z90F-4c75A:
21.95
4z90G-4c75A:
21.95
4z90H-4c75A:
21.95
4z90I-4c75A:
21.95
4z90J-4c75A:
21.95
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.
4csw CUPIN 4 FAMILY
PROTEIN

(Rhodothermus
marinus) 		PF08007
(Cupin_4) 		4 LEU A 340
THR A 352
LEU A 351
LEU A 331
 None
 0.72A 4z90F-4cswA:
undetectable
4z90G-4cswA:
undetectable
4z90H-4cswA:
undetectable
4z90I-4cswA:
undetectable
4z90J-4cswA:
undetectable		 4z90F-4cswA:
20.34
4z90G-4cswA:
20.34
4z90H-4cswA:
20.34
4z90I-4cswA:
20.34
4z90J-4cswA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 LEU A 616
THR A 441
THR A 619
LEU A 620
 None
 0.65A 4z90F-4db1A:
undetectable
4z90G-4db1A:
undetectable
4z90H-4db1A:
undetectable
4z90I-4db1A:
undetectable
4z90J-4db1A:
undetectable		 4z90F-4db1A:
17.34
4z90G-4db1A:
17.34
4z90H-4db1A:
17.34
4z90I-4db1A:
17.34
4z90J-4db1A:
17.34
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.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 THR A 441
THR A 619
LEU A 620
LEU A 616
 None
 0.63A 4z90F-4db1A:
undetectable
4z90G-4db1A:
undetectable
4z90H-4db1A:
undetectable
4z90I-4db1A:
undetectable
4z90J-4db1A:
undetectable		 4z90F-4db1A:
17.34
4z90G-4db1A:
17.34
4z90H-4db1A:
17.34
4z90I-4db1A:
17.34
4z90J-4db1A:
17.34
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		4 THR A 779
LEU A 780
THR A 755
LEU A 758
 None
 0.77A 4z90F-4ecnA:
undetectable
4z90G-4ecnA:
undetectable
4z90H-4ecnA:
undetectable
4z90I-4ecnA:
undetectable
4z90J-4ecnA:
undetectable		 4z90F-4ecnA:
17.43
4z90G-4ecnA:
17.43
4z90H-4ecnA:
17.43
4z90I-4ecnA:
17.43
4z90J-4ecnA:
17.43
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 THR A 755
LEU A 758
THR A 779
LEU A 780
 None
 0.77A 4z90F-4ecoA:
undetectable
4z90G-4ecoA:
undetectable
4z90H-4ecoA:
undetectable
4z90I-4ecoA:
undetectable
4z90J-4ecoA:
undetectable		 4z90F-4ecoA:
20.31
4z90G-4ecoA:
20.31
4z90H-4ecoA:
20.31
4z90I-4ecoA:
20.31
4z90J-4ecoA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 THR A 779
LEU A 780
THR A 755
LEU A 758
 None
 0.78A 4z90F-4ecoA:
undetectable
4z90G-4ecoA:
undetectable
4z90H-4ecoA:
undetectable
4z90I-4ecoA:
undetectable
4z90J-4ecoA:
undetectable		 4z90F-4ecoA:
20.31
4z90G-4ecoA:
20.31
4z90H-4ecoA:
20.31
4z90I-4ecoA:
20.31
4z90J-4ecoA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 THR A   8
THR A 157
LEU A 158
LEU A 143
 EDO  A 321 ( 3.2A)
None
EDO  A 317 (-4.0A)
None
 0.75A 4z90F-4ehcA:
undetectable
4z90G-4ehcA:
undetectable
4z90H-4ehcA:
undetectable
4z90I-4ehcA:
undetectable
4z90J-4ehcA:
undetectable		 4z90F-4ehcA:
21.94
4z90G-4ehcA:
21.94
4z90H-4ehcA:
21.94
4z90I-4ehcA:
21.94
4z90J-4ehcA:
21.94
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.
4es6 UROPORPHYRINOGEN-III
SYNTHASE

(Pseudomonas
aeruginosa) 		PF02602
(HEM4) 		4 THR A   9
LEU A   8
LEU A 243
LEU A  18
 CL  A 301 (-4.4A)
CL  A 301 ( 4.6A)
None
None
 0.78A 4z90F-4es6A:
undetectable
4z90G-4es6A:
undetectable
4z90H-4es6A:
undetectable
4z90I-4es6A:
undetectable
4z90J-4es6A:
undetectable		 4z90F-4es6A:
19.57
4z90G-4es6A:
19.57
4z90H-4es6A:
19.57
4z90I-4es6A:
19.57
4z90J-4es6A:
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.
4fhr FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Thermotoga
maritima) 		PF01706
(FliG_C)
PF14841
(FliG_M) 		4 LEU B 288
LEU B 253
THR B 258
LEU B 261
 None
 0.72A 4z90F-4fhrB:
undetectable
4z90G-4fhrB:
undetectable
4z90H-4fhrB:
undetectable
4z90I-4fhrB:
undetectable
4z90J-4fhrB:
undetectable		 4z90F-4fhrB:
19.76
4z90G-4fhrB:
19.76
4z90H-4fhrB:
19.76
4z90I-4fhrB:
19.76
4z90J-4fhrB:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ip3 ORF169B

(Shigella
flexneri) 		no annotation 4 LEU A  28
THR A  48
LEU A  49
LEU A  45
 None
 0.79A 4z90F-4ip3A:
undetectable
4z90G-4ip3A:
undetectable
4z90H-4ip3A:
undetectable
4z90I-4ip3A:
undetectable
4z90J-4ip3A:
undetectable		 4z90F-4ip3A:
19.75
4z90G-4ip3A:
19.75
4z90H-4ip3A:
19.75
4z90I-4ip3A:
19.75
4z90J-4ip3A:
19.75
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.
4k1c VACUOLAR CALCIUM ION
TRANSPORTER

(Saccharomyces
cerevisiae) 		PF01699
(Na_Ca_ex) 		4 LEU A  97
LEU A 254
THR A  82
LEU A  85
 None
 0.47A 4z90F-4k1cA:
4.4
4z90G-4k1cA:
4.1
4z90H-4k1cA:
4.2
4z90I-4k1cA:
4.2
4z90J-4k1cA:
4.0		 4z90F-4k1cA:
22.27
4z90G-4k1cA:
22.27
4z90H-4k1cA:
22.27
4z90I-4k1cA:
22.27
4z90J-4k1cA:
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.
4lfy DIHYDROOROTASE

(Burkholderia
cenocepacia) 		PF01979
(Amidohydro_1) 		4 THR A 140
LEU A 141
LEU A 118
LEU A 151
 None
None
KCX  A 117 ( 4.5A)
None
 0.64A 4z90F-4lfyA:
undetectable
4z90G-4lfyA:
undetectable
4z90H-4lfyA:
undetectable
4z90I-4lfyA:
undetectable
4z90J-4lfyA:
undetectable		 4z90F-4lfyA:
23.82
4z90G-4lfyA:
23.82
4z90H-4lfyA:
23.82
4z90I-4lfyA:
23.82
4z90J-4lfyA:
23.82
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		4 LEU A 256
THR A 282
LEU A 281
LEU A 266
 None
 0.71A 4z90F-4m1rA:
undetectable
4z90G-4m1rA:
undetectable
4z90H-4m1rA:
undetectable
4z90I-4m1rA:
undetectable
4z90J-4m1rA:
undetectable		 4z90F-4m1rA:
21.64
4z90G-4m1rA:
21.64
4z90H-4m1rA:
21.64
4z90I-4m1rA:
21.64
4z90J-4m1rA:
21.64
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.
4mhl INTERLEUKIN-11

(Homo sapiens) 		PF07400
(IL11) 		4 THR A  53
LEU A  56
LEU A 111
LEU A 126
 None
 0.61A 4z90F-4mhlA:
2.6
4z90G-4mhlA:
4.2
4z90H-4mhlA:
2.6
4z90I-4mhlA:
2.6
4z90J-4mhlA:
2.7		 4z90F-4mhlA:
17.08
4z90G-4mhlA:
17.08
4z90H-4mhlA:
17.08
4z90I-4mhlA:
17.08
4z90J-4mhlA:
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 LEU B 219
THR B 200
LEU B 252
LEU B 215
 None
 0.76A 4z90F-4mrmB:
undetectable
4z90G-4mrmB:
undetectable
4z90H-4mrmB:
undetectable
4z90I-4mrmB:
undetectable
4z90J-4mrmB:
undetectable		 4z90F-4mrmB:
20.86
4z90G-4mrmB:
20.86
4z90H-4mrmB:
20.86
4z90I-4mrmB:
20.86
4z90J-4mrmB:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		4 THR A 189
THR A 338
LEU A 305
LEU A 215
 None
 0.78A 4z90F-4qb7A:
undetectable
4z90G-4qb7A:
undetectable
4z90H-4qb7A:
undetectable
4z90I-4qb7A:
undetectable
4z90J-4qb7A:
undetectable		 4z90F-4qb7A:
19.42
4z90G-4qb7A:
19.42
4z90H-4qb7A:
19.42
4z90I-4qb7A:
19.42
4z90J-4qb7A:
19.42
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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 LEU A  65
THR A 149
LEU A 108
LEU A  72
 None
 0.77A 4z90F-4qhbA:
undetectable
4z90G-4qhbA:
undetectable
4z90H-4qhbA:
undetectable
4z90I-4qhbA:
undetectable
4z90J-4qhbA:
undetectable		 4z90F-4qhbA:
22.22
4z90G-4qhbA:
22.22
4z90H-4qhbA:
22.22
4z90I-4qhbA:
22.22
4z90J-4qhbA:
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.
4qjk PHOSPHOPANTETHEINYL
TRANSFERASE PPTT

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		4 LEU A 210
THR A 167
LEU A 166
LEU A 207
 None
 0.72A 4z90F-4qjkA:
undetectable
4z90G-4qjkA:
undetectable
4z90H-4qjkA:
undetectable
4z90I-4qjkA:
undetectable
4z90J-4qjkA:
undetectable		 4z90F-4qjkA:
21.60
4z90G-4qjkA:
21.60
4z90H-4qjkA:
21.60
4z90I-4qjkA:
21.60
4z90J-4qjkA:
21.60
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.
4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII

(Mycobacterium
ulcerans) 		PF01648
(ACPS) 		4 LEU A 210
THR A 167
LEU A 166
LEU A 207
 None
 0.69A 4z90F-4qjlA:
undetectable
4z90G-4qjlA:
undetectable
4z90H-4qjlA:
undetectable
4z90I-4qjlA:
undetectable
4z90J-4qjlA:
undetectable		 4z90F-4qjlA:
21.43
4z90G-4qjlA:
21.43
4z90H-4qjlA:
21.43
4z90I-4qjlA:
21.43
4z90J-4qjlA:
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		4 LEU A 408
THR A 386
LEU A 205
LEU A 222
 None
 0.76A 4z90F-4r9gA:
undetectable
4z90G-4r9gA:
undetectable
4z90H-4r9gA:
undetectable
4z90I-4r9gA:
undetectable
4z90J-4r9gA:
undetectable		 4z90F-4r9gA:
19.74
4z90G-4r9gA:
19.74
4z90H-4r9gA:
19.74
4z90I-4r9gA:
19.74
4z90J-4r9gA:
19.74
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.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		4 LEU A 425
THR A 485
LEU A 486
LEU A 482
 None
 0.74A 4z90F-4tn0A:
undetectable
4z90G-4tn0A:
undetectable
4z90H-4tn0A:
undetectable
4z90I-4tn0A:
undetectable
4z90J-4tn0A:
undetectable		 4z90F-4tn0A:
22.71
4z90G-4tn0A:
22.71
4z90H-4tn0A:
22.71
4z90I-4tn0A:
22.71
4z90J-4tn0A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u89 PHOSPHOPANTETHEINYL
TRANSFERASE PPTT

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		4 LEU A 210
THR A 167
LEU A 166
LEU A 207
 None
 0.72A 4z90F-4u89A:
undetectable
4z90G-4u89A:
undetectable
4z90H-4u89A:
undetectable
4z90I-4u89A:
undetectable
4z90J-4u89A:
undetectable		 4z90F-4u89A:
21.93
4z90G-4u89A:
21.93
4z90H-4u89A:
21.93
4z90I-4u89A:
21.93
4z90J-4u89A:
21.93
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		4 THR A  45
LEU A  48
LEU A 250
LEU A 120
 CL  A 403 (-4.0A)
None
None
None
 0.78A 4z90F-4x9tA:
undetectable
4z90G-4x9tA:
undetectable
4z90H-4x9tA:
undetectable
4z90I-4x9tA:
undetectable
4z90J-4x9tA:
undetectable		 4z90F-4x9tA:
21.33
4z90G-4x9tA:
21.33
4z90H-4x9tA:
21.33
4z90I-4x9tA:
21.33
4z90J-4x9tA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xtl SODIUM PUMPING
RHODOPSIN

(Dokdonia
eikasta) 		PF01036
(Bac_rhodopsin) 		4 LEU A 204
THR A 268
LEU A 269
LEU A 265
 None
 0.68A 4z90F-4xtlA:
3.4
4z90G-4xtlA:
3.4
4z90H-4xtlA:
3.1
4z90I-4xtlA:
3.0
4z90J-4xtlA:
2.9		 4z90F-4xtlA:
22.09
4z90G-4xtlA:
22.09
4z90H-4xtlA:
22.09
4z90I-4xtlA:
22.09
4z90J-4xtlA:
22.09
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.
4z64 SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU C  89
THR C  39
LEU C  40
LEU C  36
 None
 0.77A 4z90F-4z64C:
undetectable
4z90G-4z64C:
undetectable
4z90H-4z64C:
undetectable
4z90I-4z64C:
undetectable
4z90J-4z64C:
undetectable		 4z90F-4z64C:
19.08
4z90G-4z64C:
19.08
4z90H-4z64C:
19.08
4z90I-4z64C:
19.08
4z90J-4z64C:
19.08
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.
5a12 CHLORITE DISMUTASE

(Magnetospirillum
sp.) 		PF06778
(Chlor_dismutase) 		4 LEU A 242
THR A 235
THR A 245
LEU A 246
 None
 0.66A 4z90F-5a12A:
undetectable
4z90G-5a12A:
undetectable
4z90H-5a12A:
undetectable
4z90I-5a12A:
undetectable
4z90J-5a12A:
undetectable		 4z90F-5a12A:
24.48
4z90G-5a12A:
24.48
4z90H-5a12A:
24.48
4z90I-5a12A:
24.48
4z90J-5a12A:
24.48
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.
5a12 CHLORITE DISMUTASE

(Magnetospirillum
sp.) 		PF06778
(Chlor_dismutase) 		4 THR A 235
THR A 245
LEU A 246
LEU A 242
 None
 0.60A 4z90F-5a12A:
undetectable
4z90G-5a12A:
undetectable
4z90H-5a12A:
undetectable
4z90I-5a12A:
undetectable
4z90J-5a12A:
undetectable		 4z90F-5a12A:
24.48
4z90G-5a12A:
24.48
4z90H-5a12A:
24.48
4z90I-5a12A:
24.48
4z90J-5a12A:
24.48
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.
5awf PROBABLE
ATP-DEPENDENT
TRANSPORTER SUFC

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 LEU C  20
THR C  46
LEU C  47
LEU C  43
 None
 0.63A 4z90F-5awfC:
undetectable
4z90G-5awfC:
undetectable
4z90H-5awfC:
undetectable
4z90I-5awfC:
undetectable
4z90J-5awfC:
undetectable		 4z90F-5awfC:
22.19
4z90G-5awfC:
22.19
4z90H-5awfC:
22.19
4z90I-5awfC:
22.19
4z90J-5awfC:
22.19
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 THR A 195
LEU A 196
THR A 185
LEU A 186
 None
 0.73A 4z90F-5b5zA:
undetectable
4z90G-5b5zA:
undetectable
4z90H-5b5zA:
undetectable
4z90I-5b5zA:
undetectable
4z90J-5b5zA:
undetectable		 4z90F-5b5zA:
19.94
4z90G-5b5zA:
19.94
4z90H-5b5zA:
19.94
4z90I-5b5zA:
19.94
4z90J-5b5zA:
19.94
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.
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus vulgaris) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 243
LEU A 195
THR A 219
LEU A 222
 LEU  A 243 ( 0.5A)
LEU  A 195 ( 0.6A)
THR  A 219 ( 0.8A)
LEU  A 222 ( 0.6A)
 0.77A 4z90F-5c05A:
5.9
4z90G-5c05A:
5.9
4z90H-5c05A:
3.4
4z90I-5c05A:
5.8
4z90J-5c05A:
5.9		 4z90F-5c05A:
21.23
4z90G-5c05A:
21.23
4z90H-5c05A:
21.23
4z90I-5c05A:
21.23
4z90J-5c05A:
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 LEU A 159
THR A 107
LEU A 108
LEU A 104
 None
 0.78A 4z90F-5cwaA:
undetectable
4z90G-5cwaA:
undetectable
4z90H-5cwaA:
undetectable
4z90I-5cwaA:
undetectable
4z90J-5cwaA:
undetectable		 4z90F-5cwaA:
21.07
4z90G-5cwaA:
21.07
4z90H-5cwaA:
21.07
4z90I-5cwaA:
21.07
4z90J-5cwaA:
21.07
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.
5dok TELOMERASE
ASSOCIATED PROTEIN
P45

(Tetrahymena
thermophila) 		no annotation 4 LEU A 189
THR A 245
LEU A 246
LEU A 242
 None
 0.66A 4z90F-5dokA:
undetectable
4z90G-5dokA:
undetectable
4z90H-5dokA:
undetectable
4z90I-5dokA:
undetectable
4z90J-5dokA:
undetectable		 4z90F-5dokA:
22.37
4z90G-5dokA:
22.37
4z90H-5dokA:
22.37
4z90I-5dokA:
22.37
4z90J-5dokA:
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 LEU A 208
THR A 236
LEU A 237
LEU A 233
 None
 0.65A 4z90F-5ebbA:
undetectable
4z90G-5ebbA:
undetectable
4z90H-5ebbA:
undetectable
4z90I-5ebbA:
undetectable
4z90J-5ebbA:
undetectable		 4z90F-5ebbA:
20.23
4z90G-5ebbA:
20.23
4z90H-5ebbA:
20.23
4z90I-5ebbA:
20.23
4z90J-5ebbA:
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		4 LEU A 205
THR A 233
LEU A 234
LEU A 230
 None
 0.59A 4z90F-5fcaA:
undetectable
4z90G-5fcaA:
undetectable
4z90H-5fcaA:
undetectable
4z90I-5fcaA:
undetectable
4z90J-5fcaA:
undetectable		 4z90F-5fcaA:
21.20
4z90G-5fcaA:
21.20
4z90H-5fcaA:
21.20
4z90I-5fcaA:
21.20
4z90J-5fcaA:
21.20
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		4 LEU A 347
THR A 342
LEU A 262
LEU A 266
 None
 0.77A 4z90F-5gviA:
undetectable
4z90G-5gviA:
undetectable
4z90H-5gviA:
undetectable
4z90I-5gviA:
undetectable
4z90J-5gviA:
undetectable		 4z90F-5gviA:
19.35
4z90G-5gviA:
19.35
4z90H-5gviA:
19.35
4z90I-5gviA:
19.35
4z90J-5gviA:
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		4 THR A 189
LEU A 190
LEU A 207
LEU A 194
 None
 0.75A 4z90F-5hx9A:
undetectable
4z90G-5hx9A:
undetectable
4z90H-5hx9A:
undetectable
4z90I-5hx9A:
undetectable
4z90J-5hx9A:
undetectable		 4z90F-5hx9A:
20.87
4z90G-5hx9A:
20.87
4z90H-5hx9A:
20.87
4z90I-5hx9A:
20.87
4z90J-5hx9A:
20.87
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.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 LEU A 230
THR A  42
LEU A 241
THR A 238
LEU A 237
 None
 1.15A 4z90F-5iuyA:
2.5
4z90G-5iuyA:
2.8
4z90H-5iuyA:
2.6
4z90I-5iuyA:
undetectable
4z90J-5iuyA:
2.7		 4z90F-5iuyA:
23.08
4z90G-5iuyA:
23.08
4z90H-5iuyA:
23.08
4z90I-5iuyA:
23.08
4z90J-5iuyA:
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.
5iyx SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU C  89
THR C  39
LEU C  40
LEU C  36
 None
 0.76A 4z90F-5iyxC:
undetectable
4z90G-5iyxC:
undetectable
4z90H-5iyxC:
undetectable
4z90I-5iyxC:
undetectable
4z90J-5iyxC:
undetectable		 4z90F-5iyxC:
21.54
4z90G-5iyxC:
21.54
4z90H-5iyxC:
21.54
4z90I-5iyxC:
21.54
4z90J-5iyxC:
21.54
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		4 THR L 412
LEU L 413
THR L 401
LEU L 486
 None
 0.78A 4z90F-5lnkL:
undetectable
4z90G-5lnkL:
undetectable
4z90H-5lnkL:
undetectable
4z90I-5lnkL:
undetectable
4z90J-5lnkL:
undetectable		 4z90F-5lnkL:
19.24
4z90G-5lnkL:
19.24
4z90H-5lnkL:
19.24
4z90I-5lnkL:
19.24
4z90J-5lnkL:
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		4 THR A 151
LEU A 154
THR A 157
LEU A 158
 None
 0.72A 4z90F-5mjrA:
2.7
4z90G-5mjrA:
2.6
4z90H-5mjrA:
2.4
4z90I-5mjrA:
2.4
4z90J-5mjrA:
2.6		 4z90F-5mjrA:
22.09
4z90G-5mjrA:
22.09
4z90H-5mjrA:
22.09
4z90I-5mjrA:
22.09
4z90J-5mjrA:
22.09
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		4 THR A 157
LEU A 158
THR A 151
LEU A 154
 None
 0.66A 4z90F-5mjrA:
2.7
4z90G-5mjrA:
2.6
4z90H-5mjrA:
2.4
4z90I-5mjrA:
2.4
4z90J-5mjrA:
2.6		 4z90F-5mjrA:
22.09
4z90G-5mjrA:
22.09
4z90H-5mjrA:
22.09
4z90I-5mjrA:
22.09
4z90J-5mjrA:
22.09
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 THR A 256
LEU A 259
THR A 287
LEU A 290
 None
 0.68A 4z90F-5n94A:
undetectable
4z90G-5n94A:
undetectable
4z90H-5n94A:
undetectable
4z90I-5n94A:
undetectable
4z90J-5n94A:
undetectable		 4z90F-5n94A:
15.81
4z90G-5n94A:
15.81
4z90H-5n94A:
15.81
4z90I-5n94A:
15.81
4z90J-5n94A:
15.81
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 THR A 287
LEU A 290
THR A 256
LEU A 259
 None
 0.64A 4z90F-5n94A:
undetectable
4z90G-5n94A:
undetectable
4z90H-5n94A:
undetectable
4z90I-5n94A:
undetectable
4z90J-5n94A:
undetectable		 4z90F-5n94A:
15.81
4z90G-5n94A:
15.81
4z90H-5n94A:
15.81
4z90I-5n94A:
15.81
4z90J-5n94A:
15.81
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.
5o75 UBIQUITIN
CONJUGATION FACTOR
E4 B

(Homo sapiens) 		no annotation 4 LEU A1133
LEU A1118
THR A1138
LEU A1146
 None
 0.74A 4z90F-5o75A:
undetectable
4z90G-5o75A:
undetectable
4z90H-5o75A:
undetectable
4z90I-5o75A:
undetectable
4z90J-5o75A:
undetectable		 4z90F-5o75A:
12.04
4z90G-5o75A:
12.04
4z90H-5o75A:
12.04
4z90I-5o75A:
12.04
4z90J-5o75A:
12.04
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.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		4 LEU A  96
THR A  50
LEU A  51
LEU A  47
 None
 0.74A 4z90F-5vxlA:
4.3
4z90G-5vxlA:
4.4
4z90H-5vxlA:
4.5
4z90I-5vxlA:
4.4
4z90J-5vxlA:
4.5		 4z90F-5vxlA:
20.06
4z90G-5vxlA:
20.06
4z90H-5vxlA:
20.06
4z90I-5vxlA:
20.06
4z90J-5vxlA:
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 LEU A  32
THR A1096
LEU A1099
LEU A1048
 None
 0.57A 4z90F-5w81A:
4.6
4z90G-5w81A:
3.8
4z90H-5w81A:
4.6
4z90I-5w81A:
4.6
4z90J-5w81A:
4.6		 4z90F-5w81A:
13.63
4z90G-5w81A:
13.63
4z90H-5w81A:
13.63
4z90I-5w81A:
13.63
4z90J-5w81A:
13.63
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 4 THR B 504
LEU B 532
THR B 604
THR B2656
 None
 0.73A 4z90F-5wfcB:
undetectable
4z90G-5wfcB:
undetectable
4z90H-5wfcB:
undetectable
4z90I-5wfcB:
undetectable
4z90J-5wfcB:
undetectable		 4z90F-5wfcB:
12.70
4z90G-5wfcB:
12.70
4z90H-5wfcB:
12.70
4z90I-5wfcB:
12.70
4z90J-5wfcB:
12.70
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 4 THR B 604
THR B2656
THR B 504
LEU B 532
 None
 0.78A 4z90F-5wfcB:
undetectable
4z90G-5wfcB:
undetectable
4z90H-5wfcB:
undetectable
4z90I-5wfcB:
undetectable
4z90J-5wfcB:
undetectable		 4z90F-5wfcB:
12.70
4z90G-5wfcB:
12.70
4z90H-5wfcB:
12.70
4z90I-5wfcB:
12.70
4z90J-5wfcB:
12.70
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.
5wrp PYRUVATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 5 THR A 411
LEU A 392
THR A 374
THR A 379
LEU A 383
 None
None
PO4  A 501 (-3.4A)
PO4  A 501 (-3.8A)
None
 1.50A 4z90F-5wrpA:
undetectable
4z90G-5wrpA:
undetectable
4z90H-5wrpA:
undetectable
4z90I-5wrpA:
undetectable
4z90J-5wrpA:
undetectable		 4z90F-5wrpA:
20.79
4z90G-5wrpA:
20.79
4z90H-5wrpA:
20.79
4z90I-5wrpA:
20.79
4z90J-5wrpA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjs GEM-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		no annotation 4 LEU 2 233
LEU 2 219
THR 2 192
LEU 2 195
 None
 0.75A 4z90F-5xjs2:
2.5
4z90G-5xjs2:
2.5
4z90H-5xjs2:
2.5
4z90I-5xjs2:
2.4
4z90J-5xjs2:
2.4		 4z90F-5xjs2:
13.61
4z90G-5xjs2:
13.61
4z90H-5xjs2:
13.61
4z90I-5xjs2:
13.61
4z90J-5xjs2:
13.61
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.
6fg8 SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		no annotation 4 LEU A  89
THR A  39
LEU A  40
LEU A  36
 None
 0.69A 4z90F-6fg8A:
undetectable
4z90G-6fg8A:
undetectable
4z90H-6fg8A:
undetectable
4z90I-6fg8A:
undetectable
4z90J-6fg8A:
undetectable		 4z90F-6fg8A:
10.87
4z90G-6fg8A:
10.87
4z90H-6fg8A:
10.87
4z90I-6fg8A:
10.87
4z90J-6fg8A:
10.87