SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9S_B_TOPB1160_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.
1amx COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05737
(Collagen_bind) 		5 ILE A 205
ALA A 297
LEU A 192
ILE A 194
ILE A 252
 None
 1.05A 2w9sB-1amxA:
undetectable		 2w9sB-1amxA:
24.74
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
ILE A  60
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
 0.88A 2w9sB-1dr6A:
20.3		 2w9sB-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) 		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 2w9sB-1dr6A:
20.3		 2w9sB-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
 1.06A 2w9sB-1i36A:
undetectable		 2w9sB-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
 0.96A 2w9sB-1jroA:
undetectable		 2w9sB-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
 0.95A 2w9sB-1l1nA:
undetectable		 2w9sB-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.
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
 0.99A 2w9sB-1pchA:
undetectable		 2w9sB-1pchA:
18.01
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)
 0.74A 2w9sB-1u70A:
20.3		 2w9sB-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)
 0.77A 2w9sB-1u71A:
20.7		 2w9sB-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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 142
ALA A 144
LEU A 211
ILE A 214
ILE A 224
 None
 1.08A 2w9sB-1ycgA:
undetectable		 2w9sB-1ycgA:
17.30
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.
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 2w9sB-1yrwA:
undetectable		 2w9sB-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
 1.44A 2w9sB-1z7eA:
undetectable		 2w9sB-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
 0.66A 2w9sB-1zdrA:
26.3		 2w9sB-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
 1.23A 2w9sB-1zj9A:
undetectable		 2w9sB-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.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 123
LEU A 105
LEU A 147
ILE A 157
ILE A 154
 None
 1.09A 2w9sB-1zwsA:
undetectable		 2w9sB-1zwsA:
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.
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
 1.08A 2w9sB-2akzA:
undetectable		 2w9sB-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 2w9sB-2awaA:
undetectable		 2w9sB-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)
 0.80A 2w9sB-2blbA:
19.8		 2w9sB-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.
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
 0.68A 2w9sB-2h2qA:
19.5		 2w9sB-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
 0.93A 2w9sB-2h2qA:
19.5		 2w9sB-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.
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
 0.97A 2w9sB-2of5A:
undetectable		 2w9sB-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)
 0.67A 2w9sB-2oipA:
21.5		 2w9sB-2oipA:
16.73
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ILE A 295
LEU A 321
LEU A 177
ILE A 186
ILE A 168
 None
 1.05A 2w9sB-2q0fA:
undetectable		 2w9sB-2q0fA:
16.91
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)
 0.76A 2w9sB-2qk8A:
25.4		 2w9sB-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)
 0.50A 2w9sB-2qk8A:
25.4		 2w9sB-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.
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)
 1.08A 2w9sB-2rciA:
undetectable		 2w9sB-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 2w9sB-2w3wA:
22.8		 2w9sB-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
 1.00A 2w9sB-2wd9A:
undetectable		 2w9sB-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 2w9sB-2wtbA:
undetectable		 2w9sB-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
 1.04A 2w9sB-2x26A:
undetectable		 2w9sB-2x26A:
18.90
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)
 0.71A 2w9sB-3dfrA:
23.9		 2w9sB-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)
 0.78A 2w9sB-3dg8A:
20.5		 2w9sB-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.
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
 1.07A 2w9sB-3gitA:
undetectable		 2w9sB-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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 255
ALA B 257
LEU B 364
ILE B 368
ILE B 283
 None
 1.08A 2w9sB-3h0gB:
undetectable		 2w9sB-3h0gB:
8.84
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.
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
 1.33A 2w9sB-3hs0A:
undetectable		 2w9sB-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)
 0.61A 2w9sB-3i8aX:
30.1		 2w9sB-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)
 0.51A 2w9sB-3ia4A:
25.9		 2w9sB-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)
 0.28A 2w9sB-3ix9A:
25.1		 2w9sB-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 2w9sB-3kjrA:
20.9		 2w9sB-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
 0.90A 2w9sB-3l4kA:
undetectable		 2w9sB-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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 ILE A 213
LEU A 201
ILE A 204
ILE A 243
PHE A 275
 None
 1.06A 2w9sB-3l6aA:
undetectable		 2w9sB-3l6aA:
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.
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
 0.92A 2w9sB-3lddA:
undetectable		 2w9sB-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.
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
 0.95A 2w9sB-3n0gA:
undetectable		 2w9sB-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
 0.94A 2w9sB-3nheA:
undetectable		 2w9sB-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
 1.07A 2w9sB-3nurA:
undetectable		 2w9sB-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 2w9sB-3pfiA:
undetectable		 2w9sB-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)
 0.69A 2w9sB-3rg9A:
19.7		 2w9sB-3rg9A:
27.50
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.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		5 ILE A 822
LEU A 730
ILE A 827
TYR A 797
THR A 781
 None
 1.09A 2w9sB-3swvA:
undetectable		 2w9sB-3swvA:
21.89
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)
 0.46A 2w9sB-3tq9A:
25.4		 2w9sB-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
 1.00A 2w9sB-3u44A:
undetectable		 2w9sB-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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ILE A 280
ALA A 350
LEU A 377
ILE A 376
ILE A 338
 None
 0.93A 2w9sB-3uhjA:
undetectable		 2w9sB-3uhjA:
16.80
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.
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)
 0.62A 2w9sB-3um6A:
20.7		 2w9sB-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.
3umg HALOACID
DEHALOGENASE

(Rhodococcus
jostii) 		PF00702
(Hydrolase) 		5 ILE A 134
ALA A  17
LEU A 246
ILE A 128
PHE A  20
 None
 1.09A 2w9sB-3umgA:
undetectable		 2w9sB-3umgA:
15.48
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
 0.89A 2w9sB-3vcoA:
17.4		 2w9sB-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.
4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 176
ALA A 174
LEU A 104
ILE A  73
ILE A 110
 None
 1.06A 2w9sB-4dfeA:
undetectable		 2w9sB-4dfeA:
18.96
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.
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
 1.00A 2w9sB-4eeiA:
undetectable		 2w9sB-4eeiA:
17.24
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)
 0.53A 2w9sB-4g8zX:
20.0		 2w9sB-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
 0.92A 2w9sB-4gfhA:
undetectable		 2w9sB-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
 1.03A 2w9sB-4gp1A:
undetectable		 2w9sB-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
 0.96A 2w9sB-4gpvA:
undetectable		 2w9sB-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)
 0.91A 2w9sB-4h96A:
18.1		 2w9sB-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 2w9sB-4h98A:
19.3		 2w9sB-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.
4k1x NADPH:FERREDOXIN
REDUCTASE

(Rhodobacter
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ILE A  96
LEU A 104
ILE A 102
SER A  70
PHE A  34
 None
 1.06A 2w9sB-4k1xA:
2.7		 2w9sB-4k1xA:
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.
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
 0.96A 2w9sB-4li3X:
2.7		 2w9sB-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 2w9sB-4m2xA:
23.0		 2w9sB-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)
 0.41A 2w9sB-4m7vA:
25.6		 2w9sB-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 2w9sB-4p68A:
26.0		 2w9sB-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
 1.03A 2w9sB-4r8uB:
undetectable		 2w9sB-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.
4r9o PUTATIVE ALDO/KETO
REDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		5 ALA A  71
LEU A  42
ILE A  38
ILE A  80
PHE A  64
 None
 1.01A 2w9sB-4r9oA:
undetectable		 2w9sB-4r9oA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 2w9sB-4sliA:
undetectable		 2w9sB-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
 0.94A 2w9sB-4wlpA:
undetectable		 2w9sB-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
 1.06A 2w9sB-4xriA:
undetectable		 2w9sB-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.
4y5j MINI SPINDLES TOG3

(Drosophila
melanogaster) 		no annotation 5 ALA A 693
LEU A 645
ILE A 681
ILE A 635
PHE A 701
 None
 1.06A 2w9sB-4y5jA:
undetectable		 2w9sB-4y5jA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2w9sB-5a31A:
undetectable		 2w9sB-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
 0.86A 2w9sB-5ceeA:
undetectable		 2w9sB-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)
 0.65A 2w9sB-5dxvA:
14.2		 2w9sB-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)
 0.97A 2w9sB-5dxvA:
14.2		 2w9sB-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
 1.02A 2w9sB-5f0oA:
undetectable		 2w9sB-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
 0.66A 2w9sB-5fdaA:
17.7		 2w9sB-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
 1.06A 2w9sB-5g39A:
undetectable		 2w9sB-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
 0.97A 2w9sB-5g4qA:
undetectable		 2w9sB-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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 ALA A 171
LEU A 128
ILE A 152
ILE A 119
PHE A 175
 None
 1.06A 2w9sB-5hlbA:
undetectable		 2w9sB-5hlbA:
11.90
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.
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 2w9sB-5kdrA:
undetectable		 2w9sB-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.
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
 1.03A 2w9sB-5lcwA:
undetectable		 2w9sB-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
 0.99A 2w9sB-5m2nA:
undetectable		 2w9sB-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.
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
 1.02A 2w9sB-5ngkA:
undetectable		 2w9sB-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)
 0.76A 2w9sB-5t0lA:
20.5		 2w9sB-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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 7

(Homo sapiens) 		PF00004
(AAA) 		5 LEU A 337
ASP A 307
LEU A 306
ILE A 303
ILE A 277
 None
 1.06A 2w9sB-5vhjA:
undetectable		 2w9sB-5vhjA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 2w9sB-5wroA:
undetectable		 2w9sB-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 2w9sB-5zbiA:
undetectable		 2w9sB-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 2w9sB-6b7kA:
undetectable		 2w9sB-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
 0.96A 2w9sB-6c6lB:
undetectable		 2w9sB-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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ILE A 133
ALA A  30
LEU A 228
ILE A 231
ILE A 277
 None
 1.06A 2w9sB-6c8zA:
undetectable		 2w9sB-6c8zA:
21.02
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.
6c9e CYSTEINE DESULFURASE

(Legionella
pneumophila) 		no annotation 5 ALA A 384
ILE A 355
SER A 389
ILE A 388
PHE A 345
 None
 0.98A 2w9sB-6c9eA:
undetectable		 2w9sB-6c9eA:
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.
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
 1.06A 2w9sB-6cfzJ:
undetectable		 2w9sB-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)
 0.83A 2w9sB-6cxmA:
22.1		 2w9sB-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)
 0.55A 2w9sB-6e4eA:
30.1		 2w9sB-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 2w9sB-6ehiA:
undetectable		 2w9sB-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 2w9sB-6f8zA:
undetectable		 2w9sB-6f8zA:
17.07