SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_F_377F401

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.
1e59 PHOSPHOGLYCERATE
MUTASE

(Escherichia
coli) 		PF00300
(His_Phos_1) 		4 GLU A 216
TYR A 227
LEU A 213
TYR A  49
 None
 1.20A 4twdF-1e59A:
0.0
4twdJ-1e59A:
0.0		 4twdF-1e59A:
22.46
4twdJ-1e59A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fht U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A

(Homo sapiens) 		PF00076
(RRM_1) 		4 GLU A  24
TYR A  77
LEU A  16
ARG A  46
 None
 1.15A 4twdF-1fhtA:
undetectable
4twdJ-1fhtA:
undetectable		 4twdF-1fhtA:
16.61
4twdJ-1fhtA:
16.61
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 GLU A 153
TYR A 210
PHE A 139
TYR A 220
 None
 1.16A 4twdF-1h4pA:
undetectable
4twdJ-1h4pA:
0.0		 4twdF-1h4pA:
21.14
4twdJ-1h4pA:
21.14
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLU A  44
LEU A  66
PHE A 547
TYR A 139
 None
 1.15A 4twdF-1ileA:
0.0
4twdJ-1ileA:
2.4		 4twdF-1ileA:
16.67
4twdJ-1ileA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lm7 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		4 GLU A2324
TYR A2275
LEU A2292
TYR A2316
 None
 1.19A 4twdF-1lm7A:
undetectable
4twdJ-1lm7A:
undetectable		 4twdF-1lm7A:
22.09
4twdJ-1lm7A:
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.
1mw5 HYPOTHETICAL PROTEIN
HI1480

(Haemophilus
influenzae) 		no annotation 4 GLU A 112
TYR A 146
LEU A 144
PHE A 123
 None
 1.21A 4twdF-1mw5A:
undetectable
4twdJ-1mw5A:
undetectable		 4twdF-1mw5A:
20.71
4twdJ-1mw5A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		4 GLU A 236
GLU A 234
TYR A 246
LEU A 242
 None
 1.15A 4twdF-1p4aA:
0.0
4twdJ-1p4aA:
0.0		 4twdF-1p4aA:
23.03
4twdJ-1p4aA:
23.03
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.
1sef CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF05899
(Cupin_3)
PF07883
(Cupin_2) 		4 GLU A 199
TYR A 252
LEU A 250
TYR A 162
 None
 1.07A 4twdF-1sefA:
0.0
4twdJ-1sefA:
undetectable		 4twdF-1sefA:
21.58
4twdJ-1sefA:
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.
1wyz PUTATIVE
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLU A   2
TYR A   6
LEU A   8
TYR A  24
 None
 1.20A 4twdF-1wyzA:
0.0
4twdJ-1wyzA:
0.0		 4twdF-1wyzA:
20.49
4twdJ-1wyzA:
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.
1y9q TRANSCRIPTIONAL
REGULATOR, HTH_3
FAMILY

(Vibrio cholerae) 		PF01381
(HTH_3) 		4 GLU A 105
LEU A  63
PHE A  70
TYR A 179
 None
 1.17A 4twdF-1y9qA:
1.8
4twdJ-1y9qA:
undetectable		 4twdF-1y9qA:
22.54
4twdJ-1y9qA:
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 CO  A 503 (-2.2A)
CO  A 501 ( 2.6A)
CO  A 502 (-4.9A)
CO  A 501 ( 4.9A)
 1.17A 4twdF-1zjcA:
undetectable
4twdJ-1zjcA:
undetectable		 4twdF-1zjcA:
21.75
4twdJ-1zjcA:
21.75
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 GLU A  99
LEU A 176
PHE A  94
TYR A 121
 None
 0.96A 4twdF-2cvtA:
undetectable
4twdJ-2cvtA:
undetectable		 4twdF-2cvtA:
16.82
4twdJ-2cvtA:
16.82
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.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 GLU A 160
GLU A 164
TYR A 106
TYR A 122
 BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
BTB  A 289 (-3.8A)
 1.19A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
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.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 GLU A 164
GLU A 160
TYR A 122
TYR A 106
 BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
BTB  A 289 (-4.8A)
 1.07A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
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.
2fr2 HYPOTHETICAL PROTEIN
RV2717C

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 GLU A  37
GLU A  67
LEU A 108
TYR A 141
 None
 1.08A 4twdF-2fr2A:
undetectable
4twdJ-2fr2A:
undetectable		 4twdF-2fr2A:
19.56
4twdJ-2fr2A:
19.56
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 GLU A 359
TYR A 228
LEU A 152
TYR A 373
 None
 0.99A 4twdF-2fv0A:
undetectable
4twdJ-2fv0A:
undetectable		 4twdF-2fv0A:
20.34
4twdJ-2fv0A:
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLU A 267
TYR A 551
LEU A 544
TYR A 210
 None
 1.08A 4twdF-2iukA:
2.3
4twdJ-2iukA:
undetectable		 4twdF-2iukA:
16.78
4twdJ-2iukA:
16.78
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 6A

(Homo sapiens) 		PF04051
(TRAPP) 		4 GLU B  61
GLU B  62
TYR B  93
LEU B  85
 None
 1.15A 4twdF-2j3tB:
undetectable
4twdJ-2j3tB:
undetectable		 4twdF-2j3tB:
21.17
4twdJ-2j3tB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 GLU A  30
TYR A  94
LEU A  98
PHE A  29
 None
 1.14A 4twdF-2jb1A:
undetectable
4twdJ-2jb1A:
undetectable		 4twdF-2jb1A:
22.04
4twdJ-2jb1A:
22.04
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.
2pt7 HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		no annotation 4 GLU G 118
GLU G 122
LEU G 174
TYR G 182
 None
 1.18A 4twdF-2pt7G:
undetectable
4twdJ-2pt7G:
undetectable		 4twdF-2pt7G:
19.78
4twdJ-2pt7G:
19.78
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.
2q4n UNCHARACTERIZED
PROTEIN AT1G79260

(Arabidopsis
thaliana) 		PF08768
(DUF1794) 		4 GLU A  48
GLU A  78
LEU A 117
TYR A 144
 None
 1.00A 4twdF-2q4nA:
undetectable
4twdJ-2q4nA:
undetectable		 4twdF-2q4nA:
21.80
4twdJ-2q4nA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wam CONSERVED
HYPOTHETICAL ALANINE
AND LEUCINE RICH
PROTEIN

(Mycobacterium
tuberculosis) 		PF09754
(PAC2) 		4 GLU A 102
LEU A 138
PHE A  73
TYR A 106
 None
 0.90A 4twdF-2wamA:
undetectable
4twdJ-2wamA:
undetectable		 4twdF-2wamA:
21.23
4twdJ-2wamA:
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 GLU A 623
TYR A 765
LEU A 767
TYR A 615
 None
 1.13A 4twdF-2x05A:
undetectable
4twdJ-2x05A:
undetectable		 4twdF-2x05A:
14.27
4twdJ-2x05A:
14.27
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 GLU A  47
TYR A 165
LEU A 161
PHE A  49
 None
 0.96A 4twdF-2xhgA:
1.1
4twdJ-2xhgA:
undetectable		 4twdF-2xhgA:
19.35
4twdJ-2xhgA:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 GLU A 839
GLU A 813
TYR A 802
TYR A 841
 None
 1.14A 4twdF-3abzA:
2.3
4twdJ-3abzA:
2.3		 4twdF-3abzA:
16.81
4twdJ-3abzA:
16.81
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLU A 165
TYR A 141
LEU A 159
PHE A 134
 None
 1.14A 4twdF-3ak5A:
undetectable
4twdJ-3ak5A:
undetectable		 4twdF-3ak5A:
15.25
4twdJ-3ak5A:
15.25
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.
3b6u KINESIN-LIKE PROTEIN
KIF3B

(Homo sapiens) 		PF00225
(Kinesin) 		4 GLU A 107
TYR A 144
LEU A 156
PHE A 219
 None
 1.20A 4twdF-3b6uA:
undetectable
4twdJ-3b6uA:
undetectable		 4twdF-3b6uA:
24.35
4twdJ-3b6uA:
24.35
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 GLU A  81
GLU A  82
TYR A  58
LEU A  39
 None
 1.16A 4twdF-3bq9A:
undetectable
4twdJ-3bq9A:
undetectable		 4twdF-3bq9A:
20.97
4twdJ-3bq9A:
20.97
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		4 GLU A  91
TYR A  87
LEU A 302
TYR A 310
 None
 1.09A 4twdF-3cjmA:
2.0
4twdJ-3cjmA:
undetectable		 4twdF-3cjmA:
23.30
4twdJ-3cjmA:
23.30
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.
3dby UNCHARACTERIZED
PROTEIN

(Bacillus cereus) 		PF11155
(DUF2935) 		4 GLU A  13
TYR A 132
LEU A 246
TYR A 241
 None
 1.14A 4twdF-3dbyA:
3.1
4twdJ-3dbyA:
undetectable		 4twdF-3dbyA:
18.71
4twdJ-3dbyA:
18.71
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.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLU A 215
GLU A 368
TYR A 389
LEU A 226
 None
 1.17A 4twdF-3dtyA:
undetectable
4twdJ-3dtyA:
undetectable		 4twdF-3dtyA:
21.01
4twdJ-3dtyA:
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		4 GLU A 302
TYR A 325
PHE A 230
TYR A 336
 None
 1.20A 4twdF-3edyA:
undetectable
4twdJ-3edyA:
undetectable		 4twdF-3edyA:
19.29
4twdJ-3edyA:
19.29
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 GLU A 753
GLU A 697
LEU A 876
PHE A 694
 None
 0.86A 4twdF-3egwA:
undetectable
4twdJ-3egwA:
undetectable		 4twdF-3egwA:
14.15
4twdJ-3egwA:
14.15
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		4 GLU A 400
GLU A 401
PHE A 396
ARG A 424
 None
 0.93A 4twdF-3ek1A:
undetectable
4twdJ-3ek1A:
undetectable		 4twdF-3ek1A:
20.66
4twdJ-3ek1A:
20.66
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 GLU A 382
TYR A 343
PHE A 385
ARG A 426
 None
 0.81A 4twdF-3g77A:
undetectable
4twdJ-3g77A:
undetectable		 4twdF-3g77A:
21.80
4twdJ-3g77A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU A 376
LEU A 257
PHE A 412
TYR A 250
 None
 1.15A 4twdF-3gwjA:
1.5
4twdJ-3gwjA:
1.6		 4twdF-3gwjA:
18.76
4twdJ-3gwjA:
18.76
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 176
TYR A 135
LEU A 170
PHE A 110
 None
 1.09A 4twdF-3h09A:
undetectable
4twdJ-3h09A:
undetectable		 4twdF-3h09A:
13.55
4twdJ-3h09A:
13.55
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 GLU 1 232
GLU 1 116
TYR 1  32
LEU 1  33
 None
 1.18A 4twdF-3i9v1:
undetectable
4twdJ-3i9v1:
undetectable		 4twdF-3i9v1:
20.74
4twdJ-3i9v1:
20.74
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 GLU A 487
TYR A 335
LEU A 351
TYR A 489
 None
 1.11A 4twdF-3kf3A:
undetectable
4twdJ-3kf3A:
undetectable		 4twdF-3kf3A:
20.63
4twdJ-3kf3A:
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.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		4 GLU A 236
TYR A 249
LEU A 196
TYR A 205
 None
 1.12A 4twdF-3kkzA:
undetectable
4twdJ-3kkzA:
undetectable		 4twdF-3kkzA:
21.25
4twdJ-3kkzA:
21.25
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		4 GLU A 146
TYR A 114
PHE A 148
ARG A  86
 None
 1.20A 4twdF-3l7yA:
undetectable
4twdJ-3l7yA:
undetectable		 4twdF-3l7yA:
25.00
4twdJ-3l7yA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 132
LEU A 133
PHE A 102
TYR A 140
 None
 1.15A 4twdF-3ll8A:
undetectable
4twdJ-3ll8A:
undetectable		 4twdF-3ll8A:
22.55
4twdJ-3ll8A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU A 593
TYR A 625
LEU A 604
PHE A 592
 None
 1.20A 4twdF-3m49A:
undetectable
4twdJ-3m49A:
undetectable		 4twdF-3m49A:
19.07
4twdJ-3m49A:
19.07
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLU A 428
TYR A 568
LEU A 572
PHE A 474
 None
 1.13A 4twdF-3odwA:
1.8
4twdJ-3odwA:
undetectable		 4twdF-3odwA:
20.11
4twdJ-3odwA:
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLU A 428
TYR A 568
LEU A 572
PHE A 474
 None
 1.11A 4twdF-3odxA:
undetectable
4twdJ-3odxA:
undetectable		 4twdF-3odxA:
20.05
4twdJ-3odxA:
20.05
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.
3opw DNA
DAMAGE-RESPONSIVE
TRANSCRIPTIONAL
REPRESSOR RPH1

(Saccharomyces
cerevisiae) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 GLU A 334
TYR A  60
LEU A  65
PHE A 249
 None
 0.93A 4twdF-3opwA:
undetectable
4twdJ-3opwA:
undetectable		 4twdF-3opwA:
22.69
4twdJ-3opwA:
22.69
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 GLU B 368
GLU B 365
TYR A 113
LEU A  79
 None
 1.02A 4twdF-3pdiB:
undetectable
4twdJ-3pdiB:
undetectable		 4twdF-3pdiB:
22.03
4twdJ-3pdiB:
22.03
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		4 GLU A 401
GLU A 402
PHE A 397
ARG A 425
 None
 0.91A 4twdF-3rh9A:
undetectable
4twdJ-3rh9A:
undetectable		 4twdF-3rh9A:
18.25
4twdJ-3rh9A:
18.25
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 GLU A  20
GLU A  21
LEU A 153
TYR A 157
 None
None
NAP  A 285 (-4.5A)
None
 1.04A 4twdF-3sc6A:
undetectable
4twdJ-3sc6A:
undetectable		 4twdF-3sc6A:
22.46
4twdJ-3sc6A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 TYR A 150
LEU A  37
PHE A 153
TYR A   9
 None
 1.02A 4twdF-3sr3A:
undetectable
4twdJ-3sr3A:
undetectable		 4twdF-3sr3A:
20.51
4twdJ-3sr3A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 152
TYR A 121
LEU A 146
PHE A 107
 None
 0.97A 4twdF-3syjA:
undetectable
4twdJ-3syjA:
undetectable		 4twdF-3syjA:
14.96
4twdJ-3syjA:
14.96
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		4 GLU A 236
TYR A 249
LEU A 196
TYR A 205
 None
 1.20A 4twdF-3t7sA:
undetectable
4twdJ-3t7sA:
undetectable		 4twdF-3t7sA:
22.29
4twdJ-3t7sA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLU A 656
GLU A 578
TYR A 162
TYR A 453
 None
 1.14A 4twdF-3viuA:
2.0
4twdJ-3viuA:
undetectable		 4twdF-3viuA:
17.84
4twdJ-3viuA:
17.84
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.
3zhe NONSENSE-MEDIATED
MRNA DECAY PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 GLU A 298
LEU A 355
TYR A 374
ARG A 246
 None
 0.86A 4twdF-3zheA:
undetectable
4twdJ-3zheA:
undetectable		 4twdF-3zheA:
22.53
4twdJ-3zheA:
22.53
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.
3zzf ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase) 		4 GLU A 337
TYR A  90
LEU A 128
PHE A 339
 EDO  A1354 (-3.0A)
None
None
None
 0.95A 4twdF-3zzfA:
undetectable
4twdJ-3zzfA:
undetectable		 4twdF-3zzfA:
19.94
4twdJ-3zzfA:
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		4 TYR A 152
LEU A 155
PHE A 130
ARG A 148
 None
 1.18A 4twdF-4ct3A:
undetectable
4twdJ-4ct3A:
undetectable		 4twdF-4ct3A:
18.24
4twdJ-4ct3A:
18.24
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.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		4 GLU A 220
TYR A 231
LEU A 217
TYR A  53
 None
 1.21A 4twdF-4embA:
undetectable
4twdJ-4embA:
undetectable		 4twdF-4embA:
21.45
4twdJ-4embA:
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 GLU A 324
TYR A 357
LEU A 339
TYR A 406
 None
 1.15A 4twdF-4fgvA:
3.4
4twdJ-4fgvA:
undetectable		 4twdF-4fgvA:
16.25
4twdJ-4fgvA:
16.25
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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 GLU A 129
TYR A 220
LEU A 217
PHE A 135
 None
 1.09A 4twdF-4fxqA:
undetectable
4twdJ-4fxqA:
undetectable		 4twdF-4fxqA:
21.35
4twdJ-4fxqA:
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
 ZN  A 502 ( 4.2A)
ZN  A 502 ( 2.5A)
ZN  A 501 (-4.8A)
None
 1.16A 4twdF-4icqA:
undetectable
4twdJ-4icqA:
undetectable		 4twdF-4icqA:
22.25
4twdJ-4icqA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		4 GLU A 581
TYR A 507
LEU A 718
PHE A 634
 None
 1.22A 4twdF-4ioxA:
undetectable
4twdJ-4ioxA:
undetectable		 4twdF-4ioxA:
23.34
4twdJ-4ioxA:
23.34
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 GLU A 576
TYR A  58
LEU A 139
PHE A  60
 None
 1.22A 4twdF-4jsoA:
undetectable
4twdJ-4jsoA:
undetectable		 4twdF-4jsoA:
18.15
4twdJ-4jsoA:
18.15
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU B 375
LEU B 256
PHE B 411
TYR B 249
 SCN  B 708 (-3.8A)
None
None
None
 1.04A 4twdF-4l37B:
undetectable
4twdJ-4l37B:
undetectable		 4twdF-4l37B:
16.57
4twdJ-4l37B:
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU A 372
LEU A 253
PHE A 408
TYR A 246
 SCN  A 709 (-3.8A)
None
None
None
 1.03A 4twdF-4l37A:
undetectable
4twdJ-4l37A:
undetectable		 4twdF-4l37A:
17.24
4twdJ-4l37A:
17.24
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 GLU A 219
GLU A 218
TYR A  70
TYR A 498
 None
 0.80A 4twdF-4n4kA:
0.7
4twdJ-4n4kA:
undetectable		 4twdF-4n4kA:
21.08
4twdJ-4n4kA:
21.08
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.
4nvt TRIOSEPHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF00121
(TIM) 		4 GLU A 137
GLU A 133
LEU A 151
ARG A 103
 None
 1.21A 4twdF-4nvtA:
undetectable
4twdJ-4nvtA:
undetectable		 4twdF-4nvtA:
20.68
4twdJ-4nvtA:
20.68
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.
4o27 CALCIUM-BINDING
PROTEIN 39
SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase)
PF08569
(Mo25) 		4 GLU B  61
GLU B  58
TYR A 223
LEU B  90
 None
 1.10A 4twdF-4o27B:
undetectable
4twdJ-4o27B:
undetectable		 4twdF-4o27B:
19.55
4twdJ-4o27B:
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 141
LEU A 142
PHE A 111
TYR A 149
 None
 1.13A 4twdF-4oraA:
undetectable
4twdJ-4oraA:
undetectable		 4twdF-4oraA:
18.93
4twdJ-4oraA:
18.93
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		4 TYR A 132
LEU A 133
PHE A 102
TYR A 140
 None
 1.13A 4twdF-4orbA:
undetectable
4twdJ-4orbA:
undetectable		 4twdF-4orbA:
20.46
4twdJ-4orbA:
20.46
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.
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		4 GLU A 244
LEU A  52
PHE A 151
TYR A  46
 BDP  A 401 (-3.0A)
None
None
None
 1.18A 4twdF-4p1lA:
undetectable
4twdJ-4p1lA:
undetectable		 4twdF-4p1lA:
23.29
4twdJ-4p1lA:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.31A 4twdF-4twfA:
34.3
4twdJ-4twfA:
33.8		 4twdF-4twfA:
100.00
4twdJ-4twfA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wfu ALLERGEN BOS D 2

(Bos taurus) 		PF00061
(Lipocalin) 		4 GLU A 115
LEU A  66
PHE A  82
TYR A  39
 None
 1.10A 4twdF-4wfuA:
undetectable
4twdJ-4wfuA:
undetectable		 4twdF-4wfuA:
20.38
4twdJ-4wfuA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A 414
GLU A 265
TYR A 313
LEU A 285
 None
 1.15A 4twdF-4xeaA:
undetectable
4twdJ-4xeaA:
undetectable		 4twdF-4xeaA:
21.43
4twdJ-4xeaA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 GLU A  77
GLU A 131
TYR A 175
LEU A 178
PHE A 188
 None
 0.63A 4twdF-4yeuA:
29.6
4twdJ-4yeuA:
29.4		 4twdF-4yeuA:
71.25
4twdJ-4yeuA:
71.25
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.
4zcv CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
SCAMC-1

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 GLU A  88
LEU A  31
PHE A 153
TYR A  24
 None
 1.08A 4twdF-4zcvA:
undetectable
4twdJ-4zcvA:
undetectable		 4twdF-4zcvA:
18.77
4twdJ-4zcvA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		4 GLU A  31
GLU A  32
PHE A  27
TYR A 399
 None
 0.87A 4twdF-4zpxA:
undetectable
4twdJ-4zpxA:
undetectable		 4twdF-4zpxA:
21.12
4twdJ-4zpxA:
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.
5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 GLU A 479
LEU A 130
PHE A  90
ARG A 133
 None
 1.09A 4twdF-5aq1A:
undetectable
4twdJ-5aq1A:
undetectable		 4twdF-5aq1A:
21.05
4twdJ-5aq1A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 TYR A 150
LEU A 151
PHE A 120
TYR A 158
 None
 1.12A 4twdF-5b8iA:
undetectable
4twdJ-5b8iA:
undetectable		 4twdF-5b8iA:
22.66
4twdJ-5b8iA:
22.66
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 TYR A 525
LEU A 476
PHE A 593
TYR A 469
 None
 1.16A 4twdF-5fwjA:
undetectable
4twdJ-5fwjA:
undetectable		 4twdF-5fwjA:
20.09
4twdJ-5fwjA:
20.09
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		4 GLU A 394
GLU A 393
TYR A 372
LEU A 376
 None
 1.13A 4twdF-5gggA:
undetectable
4twdJ-5gggA:
undetectable		 4twdF-5gggA:
17.62
4twdJ-5gggA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hnz PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL,PLUS-E
ND DIRECTED
KINESIN-1/KINESIN-14
,PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL

(Drosophila
melanogaster;
Rattus
norvegicus) 		PF00225
(Kinesin) 		4 GLU K 112
TYR K 150
LEU K 162
PHE K 224
 None
 1.13A 4twdF-5hnzK:
undetectable
4twdJ-5hnzK:
undetectable		 4twdF-5hnzK:
20.93
4twdJ-5hnzK:
20.93
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
UBIQUITIN VARIANT
NL.1

(Homo sapiens) 		PF00240
(ubiquitin)
PF00632
(HECT) 		4 GLU A 654
TYR A 660
LEU B  73
PHE A 608
 None
 1.18A 4twdF-5hpkA:
undetectable
4twdJ-5hpkA:
undetectable		 4twdF-5hpkA:
21.95
4twdJ-5hpkA:
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		4 GLU A 602
LEU A 454
PHE A 600
TYR A 462
 None
 1.12A 4twdF-5lrbA:
undetectable
4twdJ-5lrbA:
undetectable		 4twdF-5lrbA:
15.73
4twdJ-5lrbA:
15.73
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.
5mx2 PHOTOSYSTEM II 12
KDA EXTRINSIC
PROTEIN

(Thermosynechococcus
elongatus) 		PF06514
(PsbU) 		4 LEU U  27
PHE U  35
TYR U  21
ARG U  97
 None
 1.21A 4twdF-5mx2U:
undetectable
4twdJ-5mx2U:
undetectable		 4twdF-5mx2U:
16.45
4twdJ-5mx2U:
16.45
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU A 643
TYR A 675
LEU A 654
PHE A 642
 None
 1.20A 4twdF-5nd5A:
undetectable
4twdJ-5nd5A:
undetectable		 4twdF-5nd5A:
15.91
4twdJ-5nd5A:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 GLU A 213
LEU A  76
PHE A 211
TYR A  83
 None
 1.04A 4twdF-5ng6A:
undetectable
4twdJ-5ng6A:
undetectable		 4twdF-5ng6A:
12.66
4twdJ-5ng6A:
12.66
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.
5oqm MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31,MEDIATOR
OF RNA POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		no annotation 4 TYR o  60
LEU o  61
PHE o  32
TYR o  66
 None
 1.11A 4twdF-5oqmo:
undetectable
4twdJ-5oqmo:
undetectable		 4twdF-5oqmo:
12.93
4twdJ-5oqmo:
12.93
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.
5sva MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		PF05669
(Med31) 		4 TYR X  57
LEU X  58
PHE X  29
TYR X  63
 None
 1.02A 4twdF-5svaX:
2.1
4twdJ-5svaX:
undetectable		 4twdF-5svaX:
16.27
4twdJ-5svaX:
16.27
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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 GLU A 775
GLU A 701
TYR A 798
TYR A 794
 None
 1.22A 4twdF-5u9oA:
undetectable
4twdJ-5u9oA:
undetectable		 4twdF-5u9oA:
13.36
4twdJ-5u9oA:
13.36
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.
5uz5 U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN C
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 4 GLU D  31
LEU D  80
TYR D  73
ARG B 156
 None
 1.21A 4twdF-5uz5D:
2.5
4twdJ-5uz5D:
undetectable		 4twdF-5uz5D:
19.89
4twdJ-5uz5D:
19.89
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.
5v4n ALPHA3(135-145)-HLA-
DRB1*01:01

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 GLU C 277
TYR C 296
LEU C 317
PHE C 289
 None
 1.10A 4twdF-5v4nC:
undetectable
4twdJ-5v4nC:
undetectable		 4twdF-5v4nC:
19.46
4twdJ-5v4nC:
19.46
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		4 TYR A 494
LEU A 445
PHE A 562
TYR A 438
 None
 1.20A 4twdF-5v9pA:
undetectable
4twdJ-5v9pA:
undetectable		 4twdF-5v9pA:
16.69
4twdJ-5v9pA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 4 GLU A 188
TYR A 170
LEU A 172
PHE A 187
 SO4  A 303 ( 4.7A)
None
None
None
 1.13A 4twdF-5xhwA:
undetectable
4twdJ-5xhwA:
undetectable		 4twdF-5xhwA:
12.34
4twdJ-5xhwA:
12.34
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 TYR A 320
LEU A 271
PHE A 388
TYR A 264
 None
 1.12A 4twdF-5yknA:
undetectable
4twdJ-5yknA:
undetectable		 4twdF-5yknA:
11.60
4twdJ-5yknA:
11.60
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.
5zzn -

(-) 		no annotation 4 LEU U  27
PHE U  35
TYR U  21
ARG U  97
 None
None
None
DMS  U 202 (-3.8A)
 1.18A 4twdF-5zznU:
undetectable
4twdJ-5zznU:
undetectable		 4twdF-5zznU:
undetectable
4twdJ-5zznU:
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 4 TYR A 494
LEU A 445
PHE A 562
TYR A 438
 None
 1.18A 4twdF-6bgzA:
undetectable
4twdJ-6bgzA:
undetectable		 4twdF-6bgzA:
13.09
4twdJ-6bgzA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 4 GLU E 255
GLU E 380
TYR E 177
LEU E 443
 None
 1.14A 4twdF-6d04E:
undetectable
4twdJ-6d04E:
undetectable		 4twdF-6d04E:
14.01
4twdJ-6d04E:
14.01
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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		no annotation 4 GLU A 629
TYR A 528
LEU A 515
ARG A 634
 None
 1.22A 4twdF-6d14A:
2.7
4twdJ-6d14A:
undetectable		 4twdF-6d14A:
15.36
4twdJ-6d14A:
15.36
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 TYR A 510
LEU A 461
PHE A 578
TYR A 454
 None
 1.18A 4twdF-6ek6A:
undetectable
4twdJ-6ek6A:
undetectable		 4twdF-6ek6A:
11.19
4twdJ-6ek6A:
11.19
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 4 GLU A  81
GLU A  80
TYR A 313
LEU A 214
 None
 1.19A 4twdF-6enoA:
undetectable
4twdJ-6enoA:
undetectable		 4twdF-6enoA:
11.40
4twdJ-6enoA:
11.40