SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9S_A_TOPA1160

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
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) 		6 ILE A   7
ALA A   9
LEU A  22
SER A  59
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.64A 2w9sA-1dr6A:
20.4		 2w9sA-1dr6A:
30.32
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) 		5 ILE A   7
ALA A   9
SER A  59
ILE A  60
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
 0.92A 2w9sA-1dr6A:
20.4		 2w9sA-1dr6A:
30.32
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.
1i36 CONSERVED
HYPOTHETICAL PROTEIN
MTH1747

(Methanothermobacter
thermautotrophicus) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ALA A 155
ILE A 125
SER A  62
ILE A  61
PHE A 135
 None
 0.99A 2w9sA-1i36A:
undetectable		 2w9sA-1i36A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 ILE A  51
ALA A  62
LEU A  27
LEU A  67
ILE A  70
 None
 0.98A 2w9sA-1jroA:
undetectable		 2w9sA-1jroA:
14.88
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.
1l1n GENOME POLYPROTEIN:
PICORNAIN 3C

(Enterovirus C) 		PF00548
(Peptidase_C3) 		5 ILE A  74
LEU A  28
ILE A  36
ILE A  90
PHE A 179
 None
 0.96A 2w9sA-1l1nA:
undetectable		 2w9sA-1l1nA:
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.
1lbk GLUTATHIONE
S-TRANSFERASE CLASS
PI CHIMAERA (CODA)

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 ALA A  15
ASP A 157
LEU A 158
ILE A 161
ILE A 104
TYR A   7
 None
 1.47A 2w9sA-1lbkA:
undetectable		 2w9sA-1lbkA:
21.32
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.
1n7f AMPA RECEPTOR
INTERACTING PROTEIN
GRIP

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ALA A 712
LEU A 682
ILE A 684
ILE A 719
THR A 710
 None
 1.06A 2w9sA-1n7fA:
undetectable		 2w9sA-1n7fA:
24.46
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.
1pch PHOSPHOCARRIER
PROTEIN

(Mycoplasma
capricolum) 		PF00381
(PTS-HPr) 		5 ILE A  74
ALA A  76
LEU A  22
ILE A  87
PHE A   4
 None
 0.97A 2w9sA-1pchA:
undetectable		 2w9sA-1pchA:
18.01
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 ILE A  23
ALA A 175
LEU A  64
ILE A  53
PHE A  19
 None
 1.09A 2w9sA-1qi7A:
undetectable		 2w9sA-1qi7A:
21.57
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) 		6 ILE A   7
ALA A   9
SER A  59
ILE A  60
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.77A 2w9sA-1u70A:
20.3		 2w9sA-1u70A:
33.85
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) 		6 ILE A   7
ALA A   9
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.78A 2w9sA-1u71A:
20.7		 2w9sA-1u71A:
31.91
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.
1uhg OVALBUMIN

(Gallus gallus) 		PF00079
(Serpin) 		5 ALA A 375
LEU A  87
ILE A  90
ILE A 178
THR A 373
 None
SO4  A 401 ( 4.9A)
None
None
None
 0.81A 2w9sA-1uhgA:
undetectable		 2w9sA-1uhgA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yrw PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		6 ILE A  88
ALA A 100
LEU A  95
ILE A  92
SER A  27
PHE A   6
 None
 1.39A 2w9sA-1yrwA:
undetectable		 2w9sA-1yrwA:
19.06
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		6 ILE A  88
ALA A 100
LEU A  95
ILE A  92
SER A  27
PHE A   6
 None
 1.43A 2w9sA-1z7eA:
undetectable		 2w9sA-1z7eA:
14.11
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
ASP A  27
LEU A  28
ILE A  50
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
None
 0.67A 2w9sA-1zdrA:
26.3		 2w9sA-1zdrA:
49.09
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		6 ILE A 383
ALA A 362
LEU A 358
LEU A 105
ILE A 373
ILE A 127
 None
 1.26A 2w9sA-1zj9A:
undetectable		 2w9sA-1zj9A:
13.85
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 353
LEU A 115
LEU A 129
ILE A 133
ILE A 380
 None
 1.07A 2w9sA-2akzA:
undetectable		 2w9sA-2akzA:
15.95
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 231
LEU A 175
LEU A 137
ILE A 224
PHE A 226
 None
None
GOL  A 379 ( 4.5A)
None
None
 1.07A 2w9sA-2awaA:
undetectable		 2w9sA-2awaA:
17.90
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.81A 2w9sA-2blbA:
19.8		 2w9sA-2blbA:
28.16
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 ILE A  43
ALA A  62
LEU A  77
ILE A  70
PHE A  46
 None
NAD  A 242 (-3.4A)
None
None
None
 1.05A 2w9sA-2dc1A:
undetectable		 2w9sA-2dc1A:
21.28
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
SER A  83
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.69A 2w9sA-2h2qA:
19.4		 2w9sA-2h2qA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
SER A  83
ILE A  84
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
 0.94A 2w9sA-2h2qA:
19.4		 2w9sA-2h2qA:
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.
2l3f UNCHARACTERIZED
PROTEIN

(Methanosarcina
acetivorans) 		PF03167
(UDG) 		5 ILE A  16
LEU A  72
ILE A  18
PHE A 156
THR A  14
 None
 1.09A 2w9sA-2l3fA:
undetectable		 2w9sA-2l3fA:
23.89
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.
2of5 DEATH
DOMAIN-CONTAINING
PROTEIN CRADD

(Homo sapiens) 		PF00531
(Death) 		5 ILE A 165
ALA A 163
LEU A 123
ILE A 120
SER A 179
 None
 1.01A 2w9sA-2of5A:
undetectable		 2w9sA-2of5A:
22.08
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.68A 2w9sA-2oipA:
21.5		 2w9sA-2oipA:
16.73
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
LEU A  29
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.75A 2w9sA-2qk8A:
25.3		 2w9sA-2qk8A:
44.24
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  29
ILE A  51
PHE A  96
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
None
MTX  A 200 ( 4.4A)
 0.51A 2w9sA-2qk8A:
25.3		 2w9sA-2qk8A:
44.24
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 ALA A 153
LEU A 129
ILE A 130
ILE A 161
THR A 150
 None
 1.08A 2w9sA-2qnaA:
undetectable		 2w9sA-2qnaA:
12.77
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.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ILE A 111
ALA A 138
ILE A 114
ILE A 193
PHE A 143
 ILE  A 111 ( 0.7A)
ALA  A 138 ( 0.0A)
ILE  A 114 ( 0.7A)
ILE  A 193 ( 0.6A)
PHE  A 143 ( 1.3A)
 1.07A 2w9sA-2rciA:
undetectable		 2w9sA-2rciA:
22.94
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
ASP A  31
LEU A  32
SER A  53
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.7A)
 0.60A 2w9sA-2w3wA:
22.9		 2w9sA-2w3wA:
32.37
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 357
LEU A 300
LEU A 318
ILE A 260
THR A 353
 None
 0.98A 2w9sA-2wd9A:
undetectable		 2w9sA-2wd9A:
14.13
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ALA A 651
ASP A 655
ILE A 671
SER A 680
ILE A 683
 None
 1.09A 2w9sA-2wtbA:
undetectable		 2w9sA-2wtbA:
12.21
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.
2x26 PERIPLASMIC
ALIPHATIC
SULPHONATES-BINDING
PROTEIN

(Escherichia
coli) 		PF09084
(NMT1) 		5 ASP A 237
LEU A  42
ILE A  38
ILE A 262
THR A 272
 None
None
GOL  A1333 (-4.8A)
None
None
 1.01A 2w9sA-2x26A:
undetectable		 2w9sA-2x26A:
18.90
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 233
ALA A 120
LEU A 154
LEU A 160
ILE A 134
 None
 1.05A 2w9sA-3awkA:
undetectable		 2w9sA-3awkA:
17.96
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
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.72A 2w9sA-3dfrA:
23.9		 2w9sA-3dfrA:
35.71
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
LEU A  46
ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.79A 2w9sA-3dg8A:
20.5		 2w9sA-3dg8A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ALA A  98
LEU A 129
ILE A 133
ILE A  86
PHE A 144
 None
 1.08A 2w9sA-3gg2A:
undetectable		 2w9sA-3gg2A:
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 ILE A 664
LEU A 674
ILE A 667
ILE A 647
PHE A 657
 None
 1.05A 2w9sA-3gitA:
undetectable		 2w9sA-3gitA:
16.86
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		6 ALA A 374
LEU A 376
ILE A 323
ILE A 389
PHE A 325
THR A 368
 None
 1.38A 2w9sA-3hs0A:
undetectable		 2w9sA-3hs0A:
14.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA X   7
LEU X  20
ASP X  27
LEU X  28
SER X  49
ILE X  50
PHE X  92
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
None
N22  X 219 (-4.4A)
 0.63A 2w9sA-3i8aX:
30.1		 2w9sA-3i8aX:
80.00
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
LEU A  29
SER A  50
ILE A  51
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-4.3A)
 0.52A 2w9sA-3ia4A:
25.8		 2w9sA-3ia4A:
41.21
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) 		5 ILE A   8
ALA A  10
LEU A  23
LEU A  31
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.5A)
 0.30A 2w9sA-3ix9A:
25.1		 2w9sA-3ix9A:
34.71
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.81A 2w9sA-3kjrA:
20.8		 2w9sA-3kjrA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ALA A 435
LEU A 445
ASP A 431
LEU A 429
ILE A 423
 None
 0.87A 2w9sA-3l4kA:
undetectable		 2w9sA-3l4kA:
12.30
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.
3ldd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF07885
(Ion_trans_2) 		5 ILE A  57
LEU A  28
ILE A  31
PHE A  54
THR A  86
 None
 0.90A 2w9sA-3lddA:
undetectable		 2w9sA-3lddA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		5 ILE A  61
ALA A 301
LEU A 268
ILE A 285
THR A 298
 None
 1.03A 2w9sA-3m1rA:
undetectable		 2w9sA-3m1rA:
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 393
LEU A 386
ILE A 390
SER A 447
PHE A 454
 None
None
None
DST  A 601 ( 4.4A)
None
 0.97A 2w9sA-3n0gA:
undetectable		 2w9sA-3n0gA:
14.36
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.
3nhe UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2

(Homo sapiens) 		PF00443
(UCH) 		5 LEU A 500
LEU A 528
ILE A 491
PHE A 438
THR A 463
 None
 0.98A 2w9sA-3nheA:
undetectable		 2w9sA-3nheA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		5 ILE A 161
ALA A 165
ILE A 178
SER A 238
ILE A 240
 None
 1.04A 2w9sA-3nurA:
undetectable		 2w9sA-3nurA:
17.09
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.
3pfi HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Campylobacter
jejuni) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ILE A 155
ILE A  72
ILE A  34
PHE A  57
THR A 153
 None
 1.02A 2w9sA-3pfiA:
undetectable		 2w9sA-3pfiA:
16.42
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
SER A  89
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.68A 2w9sA-3rg9A:
19.7		 2w9sA-3rg9A:
27.50
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) 		8 ILE A   6
ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.45A 2w9sA-3tq9A:
25.4		 2w9sA-3tq9A:
42.11
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 ILE A 881
ALA A 552
LEU A 602
ILE A 585
PHE A 805
 None
 1.02A 2w9sA-3u44A:
undetectable		 2w9sA-3u44A:
8.54
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 2w9sA-3um6A:
20.7		 2w9sA-3um6A:
12.48
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
SER A  56
ILE A  57
TYR A 117
THR A 133
 None
 0.91A 2w9sA-3vcoA:
17.4		 2w9sA-3vcoA:
29.76
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.
4dng UNCHARACTERIZED
ALDEHYDE
DEHYDROGENASE ALDY

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 ALA A 115
LEU A 112
ILE A 168
ILE A 190
THR A 119
 None
 1.05A 2w9sA-4dngA:
undetectable		 2w9sA-4dngA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 ILE A 229
LEU A 277
ILE A 233
SER A 123
PHE A 161
 None
None
None
EDO  A 507 (-3.0A)
None
 1.01A 2w9sA-4eeiA:
undetectable		 2w9sA-4eeiA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ALA A 447
LEU A 457
ASP A 443
LEU A 441
ILE A 435
 None
 1.05A 2w9sA-4fm9A:
undetectable		 2w9sA-4fm9A:
12.04
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) 		7 ILE X  10
ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.54A 2w9sA-4g8zX:
19.9		 2w9sA-4g8zX:
33.85
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ALA A 435
LEU A 445
ASP A 431
LEU A 429
ILE A 423
 None
 0.87A 2w9sA-4gfhA:
undetectable		 2w9sA-4gfhA:
8.76
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ALA A 192
LEU A 188
ILE A  73
ILE A 141
THR A  53
 None
 1.05A 2w9sA-4gp1A:
undetectable		 2w9sA-4gp1A:
17.04
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.
4gpv PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
eggerthii) 		PF06321
(P_gingi_FimA) 		5 ILE A 312
ALA A 207
ILE A 179
ILE A 301
PHE A 303
 None
 0.93A 2w9sA-4gpvA:
undetectable		 2w9sA-4gpvA:
17.80
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) 		6 ILE A   9
ALA A  11
SER A  61
ILE A  62
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 0.92A 2w9sA-4h96A:
18.1		 2w9sA-4h96A:
31.96
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) 		7 ILE A   9
ALA A  11
LEU A  25
SER A  61
ILE A  62
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.56A 2w9sA-4h98A:
19.4		 2w9sA-4h98A:
31.19
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 ILE X 234
ALA X 231
ILE X 210
SER X 181
ILE X 182
 None
None
None
LLP  X  42 ( 2.4A)
None
 0.97A 2w9sA-4li3X:
2.7		 2w9sA-4li3X:
20.00
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) 		6 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 (-4.2A)
 0.64A 2w9sA-4m2xA:
23.0		 2w9sA-4m2xA:
31.93
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
ASP A  27
LEU A  28
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.38A 2w9sA-4m7vA:
25.5		 2w9sA-4m7vA:
42.29
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) 		7 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.49A 2w9sA-4p68A:
25.9		 2w9sA-4p68A:
37.89
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.
4r8u DNA POLYMERASE IV

(Escherichia
coli) 		PF00817
(IMS)
PF11798
(IMS_HHH)
PF11799
(IMS_C) 		5 ALA B  16
ILE B  30
SER B  56
ILE B  42
TYR B  80
 None
None
1FZ  B 401 (-3.6A)
None
None
 1.06A 2w9sA-4r8uB:
undetectable		 2w9sA-4r8uB:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ILE A  94
LEU A 121
ILE A 252
ILE A 153
PHE A 248
 None
 0.98A 2w9sA-4sliA:
undetectable		 2w9sA-4sliA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 LEU A  98
LEU A 130
ILE A 136
ILE A  93
PHE A  25
 None
 0.98A 2w9sA-4wlpA:
undetectable		 2w9sA-4wlpA:
18.51
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 596
ALA A 630
LEU A 607
ILE A 603
ILE A 551
 None
 1.04A 2w9sA-4xriA:
undetectable		 2w9sA-4xriA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 226
ALA A 113
LEU A 147
LEU A 153
ILE A 127
 None
 1.08A 2w9sA-4yjyA:
undetectable		 2w9sA-4yjyA:
18.89
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A 609
ALA A  13
LEU A  17
ILE A 607
ILE A 584
 None
 1.08A 2w9sA-5a31A:
undetectable		 2w9sA-5a31A:
8.06
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.
5cee NAD-DEPENDENT MALIC
ENZYME

(Aster yellows
witches'-broom
phytoplasma) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 279
ALA A 304
LEU A 283
ILE A 171
ILE A 189
 None
None
NAD  A 401 (-4.2A)
None
None
 0.89A 2w9sA-5ceeA:
undetectable		 2w9sA-5ceeA:
17.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.66A 2w9sA-5dxvA:
14.2		 2w9sA-5dxvA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
LEU A  45
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.98A 2w9sA-5dxvA:
14.2		 2w9sA-5dxvA:
31.03
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 ILE A 129
ALA A 105
LEU A 154
ILE A 164
PHE A 130
 None
 1.04A 2w9sA-5f0oA:
undetectable		 2w9sA-5f0oA:
10.30
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
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.68A 2w9sA-5fdaA:
17.7		 2w9sA-5fdaA:
40.37
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.
5g39 PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		5 ALA A 120
LEU A 150
LEU A  43
ILE A  40
ILE A 162
 None
 1.01A 2w9sA-5g39A:
undetectable		 2w9sA-5g39A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A  33
LEU A 107
ILE A  70
SER A  80
ILE A  79
 None
 0.96A 2w9sA-5g4qA:
undetectable		 2w9sA-5g4qA:
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.
5kdr ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
ALPHA

(Staphylococcus
aureus) 		PF03255
(ACCA) 		5 ALA A 190
LEU A 202
ILE A 206
ILE A 309
THR A 152
 None
 1.04A 2w9sA-5kdrA:
undetectable		 2w9sA-5kdrA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2v CHITIN-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF03067
(LPMO_10) 		5 ILE A 116
LEU A  75
ILE A 131
SER A   5
ILE A   4
 None
 1.01A 2w9sA-5l2vA:
undetectable		 2w9sA-5l2vA:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A 609
ALA A  13
LEU A  17
ILE A 607
ILE A 584
 None
 1.01A 2w9sA-5lcwA:
undetectable		 2w9sA-5lcwA:
6.19
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE A 146
LEU A 156
ILE A 170
ILE A 128
PHE A 144
 None
 1.01A 2w9sA-5m2nA:
undetectable		 2w9sA-5m2nA:
13.00
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 ILE A 493
ALA A 491
LEU A 414
LEU A 476
SER A 436
 None
 1.08A 2w9sA-5mogA:
undetectable		 2w9sA-5mogA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ILE A 158
LEU A 108
LEU A 379
ILE A  88
ILE A 172
 None
 1.03A 2w9sA-5ngkA:
undetectable		 2w9sA-5ngkA:
15.09
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.77A 2w9sA-5t0lA:
20.6		 2w9sA-5t0lA:
15.63
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		5 ALA A 732
LEU A 737
LEU A 749
ILE A 612
PHE A 724
 None
 1.07A 2w9sA-5tj7A:
undetectable		 2w9sA-5tj7A:
16.29
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 5 ILE A 223
ALA A 110
LEU A 144
LEU A 150
ILE A 124
 None
 1.09A 2w9sA-5uc5A:
undetectable		 2w9sA-5uc5A:
18.01
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.
5wro ENOLASE

(Drosophila
melanogaster) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 422
LEU A 183
LEU A 197
ILE A 201
ILE A 449
 None
 1.05A 2w9sA-5wroA:
undetectable		 2w9sA-5wroA:
16.70
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 ILE A 161
LEU A 180
LEU A 133
ILE A 136
ILE A 186
 None
 0.99A 2w9sA-5zbiA:
undetectable		 2w9sA-5zbiA:
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.
6b7k ENDO-ALPHA-(1->5)-L-
ARABINANASE

(Bacillus
licheniformis) 		no annotation 5 ILE A  17
ILE A 106
ILE A  51
PHE A  26
THR A  22
 None
 1.05A 2w9sA-6b7kA:
undetectable		 2w9sA-6b7kA:
21.85
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 200
LEU B 212
ILE B  98
PHE B  94
THR B 197
 None
 0.99A 2w9sA-6c6lB:
undetectable		 2w9sA-6c6lB:
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.
6cfz DAD1,DAD1
DAD3
DUO1
SPC34

(Chaetomium
thermophilum) 		no annotation 5 ILE J  18
ALA D  79
LEU B  46
LEU F  49
ILE F  42
 None
 1.07A 2w9sA-6cfzJ:
undetectable		 2w9sA-6cfzJ:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.85A 2w9sA-6cxmA:
22.2		 2w9sA-6cxmA:
30.00
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.57A 2w9sA-6e4eA:
30.1		 2w9sA-6e4eA:
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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 5 ILE A  56
ALA A 104
LEU A  17
ILE A  44
PHE A  35
 None
 0.87A 2w9sA-6ehiA:
undetectable		 2w9sA-6ehiA:
20.65
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 696
ILE A 664
ILE A 684
PHE A 724
THR A 613
 None
 0.84A 2w9sA-6f8zA:
undetectable		 2w9sA-6f8zA:
17.07