SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_J_377J401_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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		4 ASN A 148
TYR A  78
LEU A 155
PHE A 141
 None
 1.29A 4twdI-1abrA:
0.0
4twdJ-1abrA:
undetectable		 4twdI-1abrA:
23.58
4twdJ-1abrA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 TYR A 118
ASN A 409
GLU A 214
LEU A 123
 None
 1.19A 4twdI-1c7jA:
0.0
4twdJ-1c7jA:
0.0		 4twdI-1c7jA:
20.00
4twdJ-1c7jA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 GLU A 377
TYR A 265
LEU A 266
PHE A 380
 None
 1.27A 4twdI-1cs1A:
0.0
4twdJ-1cs1A:
0.0		 4twdI-1cs1A:
21.66
4twdJ-1cs1A:
21.66
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.
1d5v S12 TRANSCRIPTION
FACTOR (FKH-14)

(Homo sapiens) 		PF00250
(Forkhead) 		4 ASN A  19
TYR A   7
LEU A  12
PHE A  38
 None
 1.31A 4twdI-1d5vA:
0.0
4twdJ-1d5vA:
undetectable		 4twdI-1d5vA:
16.05
4twdJ-1d5vA:
16.05
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		4 GLU A 339
TYR A 305
LEU A 385
PHE A 337
 None
 0.88A 4twdI-1fokA:
undetectable
4twdJ-1fokA:
0.0		 4twdI-1fokA:
19.32
4twdJ-1fokA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 355
GLU A 361
TYR A 415
PHE A 381
 None
 0.78A 4twdI-1nylA:
0.0
4twdJ-1nylA:
0.0		 4twdI-1nylA:
19.37
4twdJ-1nylA:
19.37
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		4 TYR A 342
GLU A 230
LEU A 364
PHE A 231
 None
 1.18A 4twdI-1ocmA:
0.0
4twdJ-1ocmA:
0.0		 4twdI-1ocmA:
22.14
4twdJ-1ocmA:
22.14
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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		4 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.22A 4twdI-1od5A:
0.0
4twdJ-1od5A:
0.0		 4twdI-1od5A:
19.68
4twdJ-1od5A:
19.68
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 330
TYR A 115
LEU A 120
PHE A 170
 None
 0.98A 4twdI-1rxtA:
0.0
4twdJ-1rxtA:
0.0		 4twdI-1rxtA:
20.48
4twdJ-1rxtA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		4 ASN A 229
GLU A 264
TYR A  40
LEU A  37
 None
 1.27A 4twdI-1sqhA:
undetectable
4twdJ-1sqhA:
undetectable		 4twdI-1sqhA:
22.67
4twdJ-1sqhA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		4 TYR A 281
ASN A 282
LEU A  46
PHE A  60
 None
 1.31A 4twdI-1xqwA:
undetectable
4twdJ-1xqwA:
undetectable		 4twdI-1xqwA:
20.71
4twdJ-1xqwA:
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		4 GLU C 490
TYR C 466
LEU C 472
PHE C 489
 None
 1.12A 4twdI-1zq1C:
undetectable
4twdJ-1zq1C:
undetectable		 4twdI-1zq1C:
17.80
4twdJ-1zq1C:
17.80
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.
2ah6 BH1595, UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF01923
(Cob_adeno_trans) 		4 TYR A 160
GLU A  65
TYR A 153
LEU A 154
 None
 1.28A 4twdI-2ah6A:
undetectable
4twdJ-2ah6A:
undetectable		 4twdI-2ah6A:
22.68
4twdJ-2ah6A:
22.68
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		4 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.26A 4twdI-2ayiA:
undetectable
4twdJ-2ayiA:
undetectable		 4twdI-2ayiA:
20.36
4twdJ-2ayiA:
20.36
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.
2dg7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 TYR A  20
TYR A  44
LEU A  12
PHE A  48
 None
 0.99A 4twdI-2dg7A:
undetectable
4twdJ-2dg7A:
undetectable		 4twdI-2dg7A:
20.59
4twdJ-2dg7A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ASN A 108
GLU A 578
TYR A 541
LEU A 546
 None
 0.97A 4twdI-2eaeA:
undetectable
4twdJ-2eaeA:
1.3		 4twdI-2eaeA:
15.77
4twdJ-2eaeA:
15.77
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.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 GLU B 328
TYR B 303
LEU B 309
PHE B 327
 None
 1.17A 4twdI-2f2aB:
undetectable
4twdJ-2f2aB:
undetectable		 4twdI-2f2aB:
20.13
4twdJ-2f2aB:
20.13
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 TYR A 373
GLU A 359
TYR A 228
LEU A 152
 None
 0.98A 4twdI-2fv0A:
undetectable
4twdJ-2fv0A:
undetectable		 4twdI-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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 ASN A 749
TYR A 744
LEU A 745
PHE A 685
 None
 1.16A 4twdI-2henA:
undetectable
4twdJ-2henA:
undetectable		 4twdI-2henA:
19.49
4twdJ-2henA:
19.49
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 GLU A  30
TYR A  94
LEU A  98
PHE A  29
 None
 1.10A 4twdI-2jb1A:
undetectable
4twdJ-2jb1A:
undetectable		 4twdI-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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 467
ASN A 420
GLU A 376
TYR A 387
 None
 1.26A 4twdI-2jf4A:
undetectable
4twdJ-2jf4A:
undetectable		 4twdI-2jf4A:
20.00
4twdJ-2jf4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k0n MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 15

(Saccharomyces
cerevisiae) 		PF16987
(KIX_2) 		4 ASN A  14
TYR A  66
LEU A  12
PHE A  57
 None
 1.31A 4twdI-2k0nA:
undetectable
4twdJ-2k0nA:
undetectable		 4twdI-2k0nA:
16.33
4twdJ-2k0nA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans) 		no annotation 4 ASN A  24
GLU A  52
LEU A  31
PHE A  51
 GOL  A 232 (-3.1A)
None
None
None
 1.25A 4twdI-2p11A:
undetectable
4twdJ-2p11A:
undetectable		 4twdI-2p11A:
19.81
4twdJ-2p11A:
19.81
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		4 ASN A 273
GLU A 241
LEU A 268
PHE A 168
 None
 1.18A 4twdI-2qikA:
undetectable
4twdJ-2qikA:
undetectable		 4twdI-2qikA:
19.88
4twdJ-2qikA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vza CELL FILAMENTATION
PROTEIN

(Bartonella
henselae) 		PF02661
(Fic) 		4 ASN A 145
GLU A 174
LEU A 213
PHE A 186
 None
 1.10A 4twdI-2vzaA:
undetectable
4twdJ-2vzaA:
undetectable		 4twdI-2vzaA:
20.29
4twdJ-2vzaA:
20.29
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.
2wqh CTPR3Y3

(synthetic
construct) 		PF13414
(TPR_11)
PF13432
(TPR_16) 		4 TYR A  20
ASN A  17
GLU A  78
TYR A  47
 None
 1.16A 4twdI-2wqhA:
undetectable
4twdJ-2wqhA:
undetectable		 4twdI-2wqhA:
16.49
4twdJ-2wqhA:
16.49
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 315
TYR A 107
LEU A 112
PHE A 162
 None
 1.14A 4twdI-2yneA:
undetectable
4twdJ-2yneA:
undetectable		 4twdI-2yneA:
24.51
4twdJ-2yneA:
24.51
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ASN A 201
GLU A 187
LEU A 245
PHE A 186
 None
 1.02A 4twdI-2zufA:
2.8
4twdJ-2zufA:
undetectable		 4twdI-2zufA:
19.55
4twdJ-2zufA:
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLU A 165
TYR A 141
LEU A 159
PHE A 134
 None
 1.18A 4twdI-3ak5A:
undetectable
4twdJ-3ak5A:
undetectable		 4twdI-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.
3b12 FLUOROACETATE
DEHALOGENASE

(Burkholderia
sp.) 		PF00561
(Abhydrolase_1) 		4 TYR A 147
TYR A 212
LEU A 153
PHE A  34
 FAH  A 501 ( 4.9A)
FAH  A 501 (-4.7A)
None
None
 1.15A 4twdI-3b12A:
undetectable
4twdJ-3b12A:
undetectable		 4twdI-3b12A:
21.65
4twdJ-3b12A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A  96
GLU A  57
TYR A  32
LEU A  63
 None
 1.17A 4twdI-3d6bA:
undetectable
4twdJ-3d6bA:
2.0		 4twdI-3d6bA:
20.19
4twdJ-3d6bA:
20.19
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.
3epc PROTEIN VP1
PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		4 TYR 1 286
ASN 2 183
LEU 2 187
PHE 2 157
 None
 1.19A 4twdI-3epc1:
undetectable
4twdJ-3epc1:
undetectable		 4twdI-3epc1:
20.00
4twdJ-3epc1:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		4 GLU A 169
TYR A  73
LEU A  59
PHE A 167
 None
 1.18A 4twdI-3fvrA:
undetectable
4twdJ-3fvrA:
undetectable		 4twdI-3fvrA:
24.15
4twdJ-3fvrA:
24.15
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.
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
 1.11A 4twdI-3h09A:
undetectable
4twdJ-3h09A:
undetectable		 4twdI-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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 TYR A 789
ASN A 796
TYR A 828
LEU A 824
 None
 1.23A 4twdI-3h6zA:
undetectable
4twdJ-3h6zA:
undetectable		 4twdI-3h6zA:
22.59
4twdJ-3h6zA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho6 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80) 		4 ASN A  27
GLU A  52
TYR A  18
LEU A  19
 None
 1.14A 4twdI-3ho6A:
undetectable
4twdJ-3ho6A:
undetectable		 4twdI-3ho6A:
21.15
4twdJ-3ho6A:
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.
3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN

(Porcine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ASN A 177
TYR A 256
LEU A 208
PHE A 132
 None
 1.19A 4twdI-3i1lA:
undetectable
4twdJ-3i1lA:
undetectable		 4twdI-3i1lA:
20.31
4twdJ-3i1lA:
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.
3i27 HEMAGGLUTININ-ESTERA
SE

(Bovine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ASN A 165
TYR A 248
LEU A 196
PHE A 123
 None
 1.31A 4twdI-3i27A:
undetectable
4twdJ-3i27A:
undetectable		 4twdI-3i27A:
20.95
4twdJ-3i27A:
20.95
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A1152
ASN A1103
GLU A1246
LEU A1157
 None
 0.93A 4twdI-3k9bA:
undetectable
4twdJ-3k9bA:
undetectable		 4twdI-3k9bA:
19.89
4twdJ-3k9bA:
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 140
TYR A 132
LEU A 133
PHE A 102
 None
 1.15A 4twdI-3ll8A:
undetectable
4twdJ-3ll8A:
undetectable		 4twdI-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
 1.19A 4twdI-3m49A:
undetectable
4twdJ-3m49A:
undetectable		 4twdI-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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 401
ASN A 481
GLU A 301
LEU A 452
 None
 0.99A 4twdI-3n6rA:
undetectable
4twdJ-3n6rA:
undetectable		 4twdI-3n6rA:
18.94
4twdJ-3n6rA:
18.94
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.
3p0s CAPSID PROTEIN VP

(Lepidopteran
iteradensovirus
1) 		PF01057
(Parvo_NS1) 		4 TYR A 351
ASN A 270
GLU A 129
LEU A 273
 None
 1.30A 4twdI-3p0sA:
undetectable
4twdJ-3p0sA:
undetectable		 4twdI-3p0sA:
19.55
4twdJ-3p0sA:
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 1.06A 4twdI-3rm5A:
undetectable
4twdJ-3rm5A:
undetectable		 4twdI-3rm5A:
16.91
4twdJ-3rm5A:
16.91
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ASN A  90
GLU A 152
TYR A 121
LEU A 146
 None
 1.25A 4twdI-3syjA:
undetectable
4twdJ-3syjA:
undetectable		 4twdI-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.
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
 1.01A 4twdI-3syjA:
undetectable
4twdJ-3syjA:
undetectable		 4twdI-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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 387
ASN A 466
GLU A 287
LEU A 437
 None
 1.23A 4twdI-3u9sA:
undetectable
4twdJ-3u9sA:
undetectable		 4twdI-3u9sA:
18.56
4twdJ-3u9sA:
18.56
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 403
ASN A 404
TYR A 104
PHE A 181
 QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.4A)
 1.31A 4twdI-3uonA:
undetectable
4twdJ-3uonA:
undetectable		 4twdI-3uonA:
19.33
4twdJ-3uonA:
19.33
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 TYR A 708
ASN A 706
LEU A 624
PHE A 673
 None
AP2  A 806 (-3.7A)
None
None
 0.85A 4twdI-3vthA:
undetectable
4twdJ-3vthA:
undetectable		 4twdI-3vthA:
17.11
4twdJ-3vthA:
17.11
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.
4a56 PULLULANASE
SECRETION PROTEIN
PULS

(Klebsiella
oxytoca) 		PF09691
(T2SS_PulS_OutS) 		4 ASN A  54
GLU A 103
TYR A  48
LEU A  49
 MRD  A1123 (-4.3A)
None
None
None
 1.27A 4twdI-4a56A:
undetectable
4twdJ-4a56A:
undetectable		 4twdI-4a56A:
15.73
4twdJ-4a56A:
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 401
TYR A 192
LEU A 197
PHE A 247
 None
 1.07A 4twdI-4c2xA:
undetectable
4twdJ-4c2xA:
undetectable		 4twdI-4c2xA:
21.13
4twdJ-4c2xA:
21.13
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		4 ASN A  95
GLU A 100
TYR A 215
LEU A 226
 None
 0.80A 4twdI-4dapA:
undetectable
4twdJ-4dapA:
undetectable		 4twdI-4dapA:
23.72
4twdJ-4dapA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ASN A  67
GLU A  73
TYR A 313
LEU A  53
 None
 1.26A 4twdI-4dxyA:
undetectable
4twdJ-4dxyA:
undetectable		 4twdI-4dxyA:
22.43
4twdJ-4dxyA:
22.43
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B

(Mus musculus) 		PF02373
(JmjC) 		4 TYR A1622
ASN A1584
GLU A1570
LEU A1619
 None
 1.23A 4twdI-4eyuA:
undetectable
4twdJ-4eyuA:
undetectable		 4twdI-4eyuA:
20.40
4twdJ-4eyuA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4feq TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 ASN A 640
TYR A 635
LEU A 636
PHE A 565
 None
 1.14A 4twdI-4feqA:
undetectable
4twdJ-4feqA:
undetectable		 4twdI-4feqA:
23.42
4twdJ-4feqA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		4 TYR A  94
TYR A 181
LEU A 184
PHE A 150
 None
 1.30A 4twdI-4fogA:
undetectable
4twdJ-4fogA:
undetectable		 4twdI-4fogA:
19.33
4twdJ-4fogA:
19.33
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.
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 4twdI-4fxqA:
undetectable
4twdJ-4fxqA:
undetectable		 4twdI-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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 TYR A 473
TYR A 465
LEU A 466
PHE A 435
 None
 1.24A 4twdI-4il1A:
undetectable
4twdJ-4il1A:
undetectable		 4twdI-4il1A:
17.22
4twdJ-4il1A:
17.22
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.
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
 1.20A 4twdI-4ioxA:
undetectable
4twdJ-4ioxA:
undetectable		 4twdI-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.
4j8s CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16417
(CNOT1_TTP_bind) 		4 GLU A 888
TYR A 895
LEU A 900
PHE A 892
 None
 1.27A 4twdI-4j8sA:
undetectable
4twdJ-4j8sA:
undetectable		 4twdI-4j8sA:
21.70
4twdJ-4j8sA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 TYR A 229
ASN A 232
TYR A 201
PHE A 283
 None
None
FMT  A 501 (-3.3A)
FMT  A 501 (-3.1A)
 1.25A 4twdI-4kv7A:
undetectable
4twdJ-4kv7A:
undetectable		 4twdI-4kv7A:
21.68
4twdJ-4kv7A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 ASN A 421
GLU A 414
TYR A 441
LEU A 442
 None
 1.13A 4twdI-4kwgA:
undetectable
4twdJ-4kwgA:
undetectable		 4twdI-4kwgA:
21.78
4twdJ-4kwgA:
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 ASN A 867
GLU A 929
LEU A 872
PHE A 932
 None
 1.31A 4twdI-4ldeA:
undetectable
4twdJ-4ldeA:
undetectable		 4twdI-4ldeA:
20.08
4twdJ-4ldeA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 TYR A 120
ASN A 117
LEU A 112
PHE A 163
 None
 1.20A 4twdI-4n2xA:
undetectable
4twdJ-4n2xA:
undetectable		 4twdI-4n2xA:
20.48
4twdJ-4n2xA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		4 TYR A 141
GLU A 149
TYR A 155
LEU A 156
 None
 1.31A 4twdI-4nwzA:
undetectable
4twdJ-4nwzA:
undetectable		 4twdI-4nwzA:
23.37
4twdJ-4nwzA:
23.37
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 149
TYR A 141
LEU A 142
PHE A 111
 None
 1.13A 4twdI-4oraA:
undetectable
4twdJ-4oraA:
undetectable		 4twdI-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 140
TYR A 132
LEU A 133
PHE A 102
 None
 1.17A 4twdI-4orbA:
undetectable
4twdJ-4orbA:
undetectable		 4twdI-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 TYR A  46
GLU A 244
LEU A  52
PHE A 151
 None
BDP  A 401 (-3.0A)
None
None
 1.11A 4twdI-4p1lA:
undetectable
4twdJ-4p1lA:
undetectable		 4twdI-4p1lA:
23.29
4twdJ-4p1lA:
23.29
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.69A 4twdI-4p2bA:
undetectable
4twdJ-4p2bA:
undetectable		 4twdI-4p2bA:
17.79
4twdJ-4p2bA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 TYR A 431
GLU A 480
TYR A 425
LEU A 426
 GOL  A 602 (-4.5A)
GOL  A 602 (-4.9A)
None
None
 1.19A 4twdI-4pysA:
undetectable
4twdJ-4pysA:
undetectable		 4twdI-4pysA:
19.85
4twdJ-4pysA:
19.85
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ASN A 461
TYR A 453
LEU A 454
PHE A 167
 None
 1.26A 4twdI-4q73A:
undetectable
4twdJ-4q73A:
undetectable		 4twdI-4q73A:
14.95
4twdJ-4q73A:
14.95
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.
4tr4 TYPE III
IODOTHYRONINE
DEIODINASE

(Mus musculus) 		PF00837
(T4_deiodinase) 		4 ASN A 248
GLU A 200
TYR A 197
LEU A 243
 None
 1.16A 4twdI-4tr4A:
undetectable
4twdJ-4tr4A:
undetectable		 4twdI-4tr4A:
19.74
4twdJ-4tr4A:
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 663
TYR A 592
LEU A 596
PHE A 666
 None
 1.26A 4twdI-4tweA:
undetectable
4twdJ-4tweA:
undetectable		 4twdI-4tweA:
16.85
4twdJ-4tweA:
16.85
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		4 TYR A 199
ASN A 196
LEU A 298
PHE A 187
 None
PEG  A 502 (-2.7A)
None
None
 1.15A 4twdI-4uacA:
undetectable
4twdJ-4uacA:
undetectable		 4twdI-4uacA:
21.78
4twdJ-4uacA:
21.78
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) 		4 GLU A 131
TYR A 175
LEU A 178
PHE A 188
 None
 0.61A 4twdI-4yeuA:
29.5
4twdJ-4yeuA:
29.4		 4twdI-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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		4 ASN A 639
GLU A 419
TYR A 594
LEU A 697
 None
 1.31A 4twdI-5b16A:
undetectable
4twdJ-5b16A:
undetectable		 4twdI-5b16A:
14.23
4twdJ-5b16A:
14.23
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 TYR A 158
TYR A 150
LEU A 151
PHE A 120
 None
 1.10A 4twdI-5b8iA:
undetectable
4twdJ-5b8iA:
undetectable		 4twdI-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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.75A 4twdI-5bnzA:
undetectable
4twdJ-5bnzA:
undetectable		 4twdI-5bnzA:
21.68
4twdJ-5bnzA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz6 LYSOZYME,CALCIUM
UNIPORTER PROTEIN,
MITOCHONDRIAL

(Escherichia
virus T4;
Homo sapiens) 		PF00959
(Phage_lysozyme) 		4 ASN A   2
GLU A  64
LEU A   7
PHE A  67
 None
 1.27A 4twdI-5bz6A:
undetectable
4twdJ-5bz6A:
undetectable		 4twdI-5bz6A:
24.32
4twdJ-5bz6A:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2w HYPOTHETICAL (DI
HEME) PROTEIN

(Candidatus
Kuenenia
stuttgartiensis) 		PF00034
(Cytochrom_C) 		4 GLU C 219
TYR C 349
LEU C 350
PHE C 218
 None
None
HEC  C 405 ( 4.9A)
None
 1.16A 4twdI-5c2wC:
undetectable
4twdJ-5c2wC:
undetectable		 4twdI-5c2wC:
23.75
4twdJ-5c2wC:
23.75
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		4 ASN A 186
GLU A 206
LEU A 245
PHE A 213
 None
 0.86A 4twdI-5c3uA:
undetectable
4twdJ-5c3uA:
undetectable		 4twdI-5c3uA:
22.02
4twdJ-5c3uA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 ASN A 102
GLU A  17
TYR A 123
LEU A 120
 None
FE  A 203 ( 4.7A)
IMD  A 204 (-3.7A)
None
 1.24A 4twdI-5c6fA:
undetectable
4twdJ-5c6fA:
undetectable		 4twdI-5c6fA:
17.63
4twdJ-5c6fA:
17.63
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 TYR A 469
TYR A 525
LEU A 476
PHE A 593
 None
 1.16A 4twdI-5fwjA:
undetectable
4twdJ-5fwjA:
undetectable		 4twdI-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.
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
 1.10A 4twdI-5hpkA:
undetectable
4twdJ-5hpkA:
undetectable		 4twdI-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.
5kx6 GALACTOSIDE
2-ALPHA-L-FUCOSYLTRA
NSFERASE

(Arabidopsis
thaliana) 		PF03254
(XG_FTase) 		4 GLU A 140
TYR A 334
LEU A 335
PHE A 219
 None
 1.21A 4twdI-5kx6A:
undetectable
4twdJ-5kx6A:
undetectable		 4twdI-5kx6A:
19.18
4twdJ-5kx6A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		4 ASN A 493
TYR A 255
LEU A 247
PHE A 322
 None
 1.22A 4twdI-5l2rA:
undetectable
4twdJ-5l2rA:
undetectable		 4twdI-5l2rA:
19.93
4twdJ-5l2rA:
19.93
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.
5mza ERYTHROCYTE MEMBRANE
PROTEIN 1 (PFEMP1)

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 TYR A 880
ASN A 846
LEU A 875
PHE A 783
 3PO  A1301 (-3.8A)
None
None
None
 1.16A 4twdI-5mzaA:
undetectable
4twdJ-5mzaA:
undetectable		 4twdI-5mzaA:
18.67
4twdJ-5mzaA:
18.67
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.
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
 1.19A 4twdI-5nd5A:
undetectable
4twdJ-5nd5A:
undetectable		 4twdI-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.
5oqm MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31,MEDIATOR
OF RNA POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		no annotation 4 TYR o  66
TYR o  60
LEU o  61
PHE o  32
 None
 1.13A 4twdI-5oqmo:
undetectable
4twdJ-5oqmo:
undetectable		 4twdI-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  63
TYR X  57
LEU X  58
PHE X  29
 None
 1.05A 4twdI-5svaX:
undetectable
4twdJ-5svaX:
undetectable		 4twdI-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.
5sxg DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		no annotation 4 GLU A 342
TYR A 338
LEU A 362
PHE A 356
 None
 1.25A 4twdI-5sxgA:
undetectable
4twdJ-5sxgA:
undetectable		 4twdI-5sxgA:
13.42
4twdJ-5sxgA:
13.42
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.
5syt CAAX PRENYL PROTEASE
1 HOMOLOG

(Homo sapiens) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		4 GLU A 150
TYR A  70
LEU A 443
PHE A 155
 None
 1.03A 4twdI-5sytA:
undetectable
4twdJ-5sytA:
undetectable		 4twdI-5sytA:
20.82
4twdJ-5sytA:
20.82
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.
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
 1.14A 4twdI-5v4nC:
undetectable
4twdJ-5v4nC:
2.4		 4twdI-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 438
TYR A 494
LEU A 445
PHE A 562
 None
 1.20A 4twdI-5v9pA:
undetectable
4twdJ-5v9pA:
undetectable		 4twdI-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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ASN A 158
GLU A 145
TYR A 203
LEU A 171
 None
 1.20A 4twdI-5wvbA:
undetectable
4twdJ-5wvbA:
undetectable		 4twdI-5wvbA:
13.68
4twdJ-5wvbA:
13.68
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.
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
 1.02A 4twdI-5xhwA:
undetectable
4twdJ-5xhwA:
undetectable		 4twdI-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 264
TYR A 320
LEU A 271
PHE A 388
 None
 1.10A 4twdI-5yknA:
undetectable
4twdJ-5yknA:
undetectable		 4twdI-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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 4 TYR A 438
TYR A 494
LEU A 445
PHE A 562
 None
 1.19A 4twdI-6bgzA:
undetectable
4twdJ-6bgzA:
undetectable		 4twdI-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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 TYR A 454
TYR A 510
LEU A 461
PHE A 578
 None
 1.20A 4twdI-6ek6A:
undetectable
4twdJ-6ek6A:
undetectable		 4twdI-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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 4 ASN A 624
GLU A 533
TYR A 538
LEU A 621
 None
 1.04A 4twdI-6fcxA:
undetectable
4twdJ-6fcxA:
undetectable		 4twdI-6fcxA:
12.97
4twdJ-6fcxA:
12.97