SIMILAR PATTERNS OF AMINO ACIDS FOR 2W3B_B_FOLB401_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  31
ILE A  51
LEU A  55
THR A 121
 None
 0.63A 2w3bB-1cz3A:
16.1		 2w3bB-1cz3A:
28.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
LEU A  22
PHE A  34
ILE A  60
PRO A  61
ASN A  64
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
None
None
None
None
None
HBI  A 198 ( 4.5A)
 0.62A 2w3bB-1dr6A:
32.3		 2w3bB-1dr6A:
74.73
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 ILE M 185
PHE M 140
ILE M  50
ASN M  49
THR M 255
 None
None
GOL  M 933 ( 4.8A)
None
None
 1.14A 2w3bB-1dwaM:
undetectable		 2w3bB-1dwaM:
17.67
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 460
LEU A 375
PHE A 458
PRO A 477
LEU A 380
 None
 1.17A 2w3bB-1jmoA:
undetectable		 2w3bB-1jmoA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 ILE A 139
PHE A 128
PRO A 116
LEU A 151
THR A 135
 None
 1.18A 2w3bB-1ne2A:
2.9		 2w3bB-1ne2A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
PHE A  31
PHE A  34
ILE A  60
PRO A  61
ASN A  64
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.32A 2w3bB-1u70A:
30.8		 2w3bB-1u70A:
89.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
PHE A  34
ILE A  60
PRO A  61
ASN A  64
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
MXA  A 187 (-4.3A)
 0.39A 2w3bB-1u71A:
32.3		 2w3bB-1u71A:
99.46
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 ILE A 241
LEU A 263
PHE A 312
ILE A 322
ASN A  34
 None
 1.05A 2w3bB-1ur1A:
undetectable		 2w3bB-1ur1A:
18.32
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.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		5 ALA A 102
PHE A 277
ILE A 115
LEU A 281
THR A  99
 None
 1.15A 2w3bB-1z2iA:
undetectable		 2w3bB-1z2iA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 2w3bB-1zdrA:
20.2		 2w3bB-1zdrA:
33.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.64A 2w3bB-2blbA:
22.0		 2w3bB-2blbA:
29.96
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 455
LEU A 285
PHE A 431
ILE A 276
PRO A 302
 None
 1.02A 2w3bB-2db3A:
undetectable		 2w3bB-2db3A:
15.67
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.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		5 ILE A  20
PHE A  26
ILE A  31
ASN A 115
LEU A 119
 None
 1.06A 2w3bB-2ejxA:
undetectable		 2w3bB-2ejxA:
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 303
LEU A 164
PHE A 285
PHE A 250
LEU A 351
 None
 1.04A 2w3bB-2f3oA:
undetectable		 2w3bB-2f3oA:
13.91
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
ILE A  84
PRO A  85
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.47A 2w3bB-2h2qA:
21.9		 2w3bB-2h2qA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lnu UNCHARACTERIZED
PROTEIN

(Haloarcula
marismortui) 		PF07920
(DUF1684) 		5 LEU A 130
PHE A  86
PRO A 111
ASN A 169
LEU A 171
 None
 1.15A 2w3bB-2lnuA:
undetectable		 2w3bB-2lnuA:
22.38
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A  43
LEU A 260
PHE A 185
ILE A 181
LEU A 174
 None
 1.03A 2w3bB-2nwhA:
undetectable		 2w3bB-2nwhA:
19.30
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.
2oh3 COG1633:
UNCHARACTERIZED
CONSERVED PROTEIN

(Magnetospirillum
magnetotacticum) 		PF02915
(Rubrerythrin) 		5 ILE A  56
ALA A  14
LEU A  68
TYR A 111
THR A  17
 None
 1.15A 2w3bB-2oh3A:
undetectable		 2w3bB-2oh3A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
PHE A  36
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.54A 2w3bB-2oipA:
22.5		 2w3bB-2oipA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 LEU A 313
PHE A 401
ASN A  80
LEU A  82
TYR A 267
 None
 1.12A 2w3bB-2pefA:
undetectable		 2w3bB-2pefA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 ALA A 294
LEU A  62
PHE A  81
ILE A 284
TYR A 217
 None
 1.15A 2w3bB-2po4A:
undetectable		 2w3bB-2po4A:
12.55
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 PHE A 143
ILE A 194
PRO A 195
LEU A 202
TYR A 259
 None
 0.99A 2w3bB-2qikA:
undetectable		 2w3bB-2qikA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.87A 2w3bB-2qk8A:
20.8		 2w3bB-2qk8A:
34.76
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.08A 2w3bB-2veoA:
undetectable		 2w3bB-2veoA:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
PRO A  55
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.39A 2w3bB-2w3wA:
21.9		 2w3bB-2w3wA:
31.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.67A 2w3bB-2w9sA:
20.6		 2w3bB-2w9sA:
32.80
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 ILE A 287
ALA A 254
PHE A 291
ILE A 318
LEU A 298
 None
 1.17A 2w3bB-2ziiA:
undetectable		 2w3bB-2ziiA:
22.65
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 ILE B 594
ALA B 425
ILE B 571
PRO B 572
TYR B 502
 None
 1.17A 2w3bB-3b78B:
undetectable		 2w3bB-3b78B:
21.24
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 716
LEU A 694
PHE A 706
LEU A 745
THR A 677
 None
 0.93A 2w3bB-3bwtA:
undetectable		 2w3bB-3bwtA:
21.56
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ILE A  38
LEU A 114
PHE A  76
ILE A  58
LEU A  52
 None
 1.06A 2w3bB-3d7nA:
undetectable		 2w3bB-3d7nA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
PHE A  30
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.71A 2w3bB-3dfrA:
20.8		 2w3bB-3dfrA:
31.05
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.51A 2w3bB-3dg8A:
22.5		 2w3bB-3dg8A:
25.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 376
LEU A 205
PHE A 352
ILE A 196
PRO A 222
 None
 1.06A 2w3bB-3dkpA:
undetectable		 2w3bB-3dkpA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.09A 2w3bB-3dwoX:
undetectable		 2w3bB-3dwoX:
19.38
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 ILE A 268
LEU A 203
PHE A 257
ILE A 207
LEU A 223
 None
 1.13A 2w3bB-3emyA:
undetectable		 2w3bB-3emyA:
19.69
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.
3fa3 2,3-DIMETHYLMALATE
LYASE

(Aspergillus
niger) 		PF13714
(PEP_mutase) 		5 ILE A 238
PRO A 240
ASN A 214
LEU A 212
THR A 101
 None
OAF  A 501 (-4.0A)
OAF  A 501 (-3.6A)
None
None
 0.97A 2w3bB-3fa3A:
undetectable		 2w3bB-3fa3A:
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.
3gbz KINASE, CMGC CDK

(Giardia
intestinalis) 		PF00069
(Pkinase) 		5 ALA A 165
LEU A  66
ILE A 157
LEU A 137
TYR A  26
 None
 1.11A 2w3bB-3gbzA:
undetectable		 2w3bB-3gbzA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.83A 2w3bB-3i8aX:
20.3		 2w3bB-3i8aX:
29.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.60A 2w3bB-3ia4A:
20.7		 2w3bB-3ia4A:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  23
PHE A  34
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.70A 2w3bB-3ix9A:
20.7		 2w3bB-3ix9A:
31.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 0.98A 2w3bB-3kaoA:
undetectable		 2w3bB-3kaoA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  73
PRO A  74
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.79A 2w3bB-3kjrA:
23.0		 2w3bB-3kjrA:
23.54
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.
3nas BETA-PHOSPHOGLUCOMUT
ASE

(Bacillus
subtilis) 		PF13419
(HAD_2) 		5 ILE A 129
ALA A 119
LEU A   8
ILE A  96
LEU A 100
 None
 1.17A 2w3bB-3nasA:
2.9		 2w3bB-3nasA:
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.
3nyf D-ARGININE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		5 ALA A1047
LEU A1258
PRO A1261
ASN A1263
THR A1147
 None
 0.95A 2w3bB-3nyfA:
undetectable		 2w3bB-3nyfA:
17.60
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.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ALA A 165
ILE A 118
PRO A 117
LEU A  52
TYR A 149
 None
None
HEM  A 401 (-4.2A)
None
None
 1.14A 2w3bB-3o5cA:
undetectable		 2w3bB-3o5cA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3onk EPSIN-3

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		5 ILE A  87
ALA A  90
PHE A  73
ASN A 114
THR A  40
 None
 1.03A 2w3bB-3onkA:
undetectable		 2w3bB-3onkA:
21.88
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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE D  41
ALA D   7
ILE D  18
LEU D  60
THR D  43
 None
 1.11A 2w3bB-3ossD:
undetectable		 2w3bB-3ossD:
23.04
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		5 ILE A 101
ALA A 114
ILE A 243
PRO A 244
ASN A 245
 None
 1.16A 2w3bB-3qvmA:
undetectable		 2w3bB-3qvmA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4c HYDROLASE, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 ALA A 100
PHE A 149
ILE A  82
ASN A 179
LEU A 166
 None
 1.07A 2w3bB-3r4cA:
undetectable		 2w3bB-3r4cA:
20.07
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
PRO A  91
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 (-4.2A)
 0.54A 2w3bB-3rg9A:
21.9		 2w3bB-3rg9A:
29.27
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 ALA A 168
PHE A 114
PHE A 115
ILE A 159
LEU A  82
 None
 1.13A 2w3bB-3rh9A:
undetectable		 2w3bB-3rh9A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sft CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE

(Thermotoga
maritima) 		PF01339
(CheB_methylest) 		5 ILE A 279
LEU A 283
ILE A 177
ASN A 179
LEU A 180
 None
 1.01A 2w3bB-3sftA:
undetectable		 2w3bB-3sftA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
LEU A  21
PHE A  32
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.56A 2w3bB-3tq9A:
21.1		 2w3bB-3tq9A:
30.35
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.64A 2w3bB-3um6A:
22.4		 2w3bB-3um6A:
14.14
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
ASN A  31
TYR A 228
 None
 1.05A 2w3bB-3ut3A:
undetectable		 2w3bB-3ut3A:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
ILE A  57
PRO A  58
LEU A  64
TYR A 117
THR A 133
 None
 0.72A 2w3bB-3vcoA:
23.7		 2w3bB-3vcoA:
37.56
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 ILE B1400
ALA B1402
PHE B1312
ILE B1319
TYR B1389
 None
 1.15A 2w3bB-3zefB:
undetectable		 2w3bB-3zefB:
8.19
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE C 399
ALA C 397
LEU C  96
ILE C   7
THR C 307
 None
 1.15A 2w3bB-4b3iC:
undetectable		 2w3bB-4b3iC:
17.46
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.
4bhc METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ILE A 123
ALA A  50
ILE A  11
PRO A  10
LEU A 149
 None
 1.16A 2w3bB-4bhcA:
undetectable		 2w3bB-4bhcA:
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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 312
ALA A 298
LEU A 295
ILE A 327
LEU A 125
 None
 1.17A 2w3bB-4e5tA:
undetectable		 2w3bB-4e5tA:
17.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		10 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 2w3bB-4g8zX:
25.3		 2w3bB-4g8zX:
37.38
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.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 ILE A  46
LEU A  37
PHE A  54
ILE A 282
ASN A 283
 None
 1.05A 2w3bB-4gl0A:
undetectable		 2w3bB-4gl0A:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.76A 2w3bB-4h96A:
21.3		 2w3bB-4h96A:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LEU A  25
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 (-4.2A)
 0.50A 2w3bB-4h98A:
22.0		 2w3bB-4h98A:
38.22
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 LEU A 327
PHE A 261
ILE A 385
LEU A 367
THR A 377
 None
 1.05A 2w3bB-4hz8A:
undetectable		 2w3bB-4hz8A:
18.69
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 448
PRO A 449
ASN A 452
LEU A 476
THR A 590
 None
None
None
None
SO4  A 904 (-4.5A)
 0.73A 2w3bB-4i3gA:
undetectable		 2w3bB-4i3gA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		5 ALA B  48
ILE A 603
ASN A 599
LEU A 566
TYR B  45
 None
 1.13A 2w3bB-4k90B:
undetectable		 2w3bB-4k90B:
21.82
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.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		5 ILE A 334
LEU A 315
PHE A 366
ILE A 424
LEU A 428
 None
 1.10A 2w3bB-4lmoA:
undetectable		 2w3bB-4lmoA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvr INTRAFLAGELLAR
TRANSPORT PROTEIN 81

(Chlamydomonas
reinhardtii) 		no annotation 5 ILE A  44
LEU A  36
PHE A  41
ILE A  99
LEU A  69
 None
 1.12A 2w3bB-4lvrA:
undetectable		 2w3bB-4lvrA:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
PRO A  51
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 (-4.2A)
 0.49A 2w3bB-4m2xA:
20.9		 2w3bB-4m2xA:
32.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.67A 2w3bB-4m7vA:
20.0		 2w3bB-4m7vA:
32.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A  24
ALA A  28
ILE A  37
LEU A  59
THR A  26
 None
 1.14A 2w3bB-4nq3A:
undetectable		 2w3bB-4nq3A:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  31
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.37A 2w3bB-4p68A:
20.6		 2w3bB-4p68A:
32.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 867
LEU A 668
PHE A 801
ILE A 827
ASN A 673
 None
None
None
P30  A1001 ( 4.8A)
None
 0.97A 2w3bB-4rt7A:
undetectable		 2w3bB-4rt7A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 738
LEU A 696
PHE A 713
ILE A 667
TYR A 754
 None
 1.01A 2w3bB-4xriA:
undetectable		 2w3bB-4xriA:
12.97
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.
4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.10A 2w3bB-4xtbA:
undetectable		 2w3bB-4xtbA:
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.
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 867
LEU A 668
PHE A 801
ILE A 827
ASN A 673
 None
None
None
P30  A1001 (-4.7A)
None
 1.14A 2w3bB-4xufA:
undetectable		 2w3bB-4xufA:
21.81
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 ALA A 724
LEU A 600
PRO A 736
ASN A 739
LEU A 743
 None
 1.04A 2w3bB-4yplA:
undetectable		 2w3bB-4yplA:
15.60
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 ILE A 813
ALA A 760
LEU A 669
PHE A 831
LEU A 795
 None
 1.17A 2w3bB-4z7gA:
undetectable		 2w3bB-4z7gA:
19.38
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 ILE A 438
ALA A 441
LEU A 445
ILE A 427
PRO A 426
 None
 1.16A 2w3bB-5ah5A:
undetectable		 2w3bB-5ah5A:
12.38
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.
5bz6 LYSOZYME,CALCIUM
UNIPORTER PROTEIN,
MITOCHONDRIAL

(Homo sapiens;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 LEU A1112
PHE A1149
ILE A1141
LEU A1145
THR A1157
 None
None
None
None
SO4  A2004 (-3.3A)
 1.16A 2w3bB-5bz6A:
undetectable		 2w3bB-5bz6A:
17.69
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.63A 2w3bB-5dxvA:
12.5		 2w3bB-5dxvA:
28.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.49A 2w3bB-5fdaA:
14.2		 2w3bB-5fdaA:
32.46
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.
5fii PHENYLALANINE-4-HYDR
OXYLASE

(Homo sapiens) 		PF01842
(ACT) 		5 ILE A  94
LEU A  41
PHE A  55
ILE A  65
LEU A  62
 None
None
None
PHE  A 901 ( 4.3A)
PHE  A 901 (-3.6A)
 1.10A 2w3bB-5fiiA:
undetectable		 2w3bB-5fiiA:
21.79
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		6 ILE B 204
ALA B 236
LEU B 358
ILE B 226
ASN B 220
LEU B 197
 None
 1.44A 2w3bB-5fwxB:
2.3		 2w3bB-5fwxB:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		5 ALA A 200
PHE A  49
ILE A  79
ASN A  78
LEU A  76
 None
 1.16A 2w3bB-5gplA:
undetectable		 2w3bB-5gplA:
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 LEU A 321
PHE A 323
ILE A 243
PRO A 244
LEU A 217
 None
 1.09A 2w3bB-5gs6A:
undetectable		 2w3bB-5gs6A:
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		5 ILE A 270
LEU A 313
PHE A 244
ILE A 319
LEU A 249
 None
 1.07A 2w3bB-5gviA:
undetectable		 2w3bB-5gviA:
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.06A 2w3bB-5husA:
3.0		 2w3bB-5husA:
22.15
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 ALA B 196
LEU B 226
ILE B 234
PRO B 231
LEU B 237
 None
 1.10A 2w3bB-5hz1B:
undetectable		 2w3bB-5hz1B:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 LEU B  37
PHE B  24
ILE B  57
PRO B  58
LEU B  72
 None
 1.11A 2w3bB-5hzlB:
undetectable		 2w3bB-5hzlB:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.16A 2w3bB-5jtaA:
undetectable		 2w3bB-5jtaA:
14.03
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.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.17A 2w3bB-5m4aA:
undetectable		 2w3bB-5m4aA:
17.01
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.
5ohk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Homo sapiens) 		PF00443
(UCH) 		5 ILE A 274
LEU A 317
PHE A 248
ILE A 323
LEU A 253
 None
 1.03A 2w3bB-5ohkA:
undetectable		 2w3bB-5ohkA:
18.18
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
PHE A  32
PHE A  35
PRO A  88
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.47A 2w3bB-5t0lA:
24.1		 2w3bB-5t0lA:
16.02
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ILE A1146
ALA A1234
ILE A1021
PRO A1022
LEU A1124
 None
 1.17A 2w3bB-5vsdA:
undetectable		 2w3bB-5vsdA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 5 ILE A 288
LEU A 233
ILE A 171
ASN A 170
LEU A 181
 None
 1.17A 2w3bB-5x1tA:
undetectable		 2w3bB-5x1tA:
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
 None
None
None
None
IOD  A 403 ( 4.8A)
 1.12A 2w3bB-6b4mA:
undetectable		 2w3bB-6b4mA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.48A 2w3bB-6cxmA:
20.3		 2w3bB-6cxmA:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.71A 2w3bB-6e4eA:
20.4		 2w3bB-6e4eA:
undetectable