SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9S_C_TOPC1160_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
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 2w9sC-1dr6A:
20.4		 2w9sC-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
 0.91A 2w9sC-1dr6A:
20.4		 2w9sC-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.
1g6q HNRNP ARGININE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF06325
(PrmA) 		5 ILE 1 251
LEU 1 170
ILE 1 303
ILE 1 323
PHE 1 291
 None
 1.17A 2w9sC-1g6q1:
undetectable		 2w9sC-1g6q1:
21.22
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.
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 2w9sC-1i36A:
undetectable		 2w9sC-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.
1krq FERRITIN

(Campylobacter
jejuni) 		PF00210
(Ferritin) 		5 ILE A 161
ALA A  39
LEU A  83
ILE A 137
ILE A 144
 None
 1.17A 2w9sC-1krqA:
undetectable		 2w9sC-1krqA:
25.13
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 453
LEU A 492
ILE A 344
ILE A 571
PHE A 578
 3AG  A 900 ( 4.4A)
3AG  A 900 (-4.9A)
3AG  A 900 (-3.6A)
None
3AG  A 900 (-3.6A)
 1.19A 2w9sC-1n21A:
undetectable		 2w9sC-1n21A:
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.
1or8 PROTEIN ARGININE
N-METHYLTRANSFERASE
1

(Rattus
norvegicus) 		PF13649
(Methyltransf_25) 		5 ILE A 317
ALA A 268
ILE A 333
ILE A 313
PHE A 253
 None
 1.13A 2w9sC-1or8A:
undetectable		 2w9sC-1or8A:
20.83
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ILE A  75
ALA A 241
LEU A 317
SER A 113
THR A 335
 None
 1.20A 2w9sC-1s0uA:
undetectable		 2w9sC-1s0uA:
17.93
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.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 ILE A 228
ILE A 239
ILE A 167
PHE A 180
THR A 231
 None
 1.20A 2w9sC-1sjjA:
undetectable		 2w9sC-1sjjA:
11.77
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 2w9sC-1u70A:
20.3		 2w9sC-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)
 0.76A 2w9sC-1u71A:
20.7		 2w9sC-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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 ILE A 222
LEU A 266
ILE A 210
ILE A 314
TYR A 296
 None
 1.13A 2w9sC-1w8oA:
undetectable		 2w9sC-1w8oA:
12.76
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.
1yr0 PHOSPHINOTHRICIN
ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13420
(Acetyltransf_4) 		5 ALA A  10
ASP A  14
ILE A  61
ILE A 100
THR A  11
 None
None
None
SO4  A1001 (-4.6A)
None
 1.18A 2w9sC-1yr0A:
undetectable		 2w9sC-1yr0A:
22.78
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) 		6 ILE A   5
ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
None
 0.65A 2w9sC-1zdrA:
26.2		 2w9sC-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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 ILE A 528
ILE A 525
ILE A 353
PHE A 395
THR A 534
 None
 1.21A 2w9sC-2b0tA:
2.2		 2w9sC-2b0tA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b8t THYMIDINE KINASE

(Ureaplasma
parvum) 		PF00265
(TK) 		5 ILE A  77
ALA A 109
LEU A 139
ILE A  95
PHE A 101
 None
 1.17A 2w9sC-2b8tA:
undetectable		 2w9sC-2b8tA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2w9sC-2blbA:
19.7		 2w9sC-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.
2ehb CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF03822
(NAF) 		5 ILE D 391
LEU D 420
ILE D 350
ILE D 428
THR D 372
 None
 1.04A 2w9sC-2ehbD:
undetectable		 2w9sC-2ehbD:
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 LEU A  64
ILE A 379
ILE A 329
PHE A 147
THR A  56
 None
 1.20A 2w9sC-2gfiA:
undetectable		 2w9sC-2gfiA:
16.56
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.
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
 0.67A 2w9sC-2h2qA:
19.4		 2w9sC-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
 0.92A 2w9sC-2h2qA:
19.4		 2w9sC-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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
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)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.68A 2w9sC-2oipA:
21.5		 2w9sC-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) 		5 ALA A   8
ILE A  51
PHE A  96
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
None
MTX  A 200 ( 4.4A)
 0.43A 2w9sC-2qk8A:
25.4		 2w9sC-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) 		5 ALA A   8
LEU A  21
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.77A 2w9sC-2qk8A:
25.4		 2w9sC-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 2w9sC-2rciA:
undetectable		 2w9sC-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) 		5 ALA A  11
ASP A  31
SER A  53
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.7A)
 0.63A 2w9sC-2w3wA:
22.9		 2w9sC-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.
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
 1.07A 2w9sC-2wtbA:
undetectable		 2w9sC-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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		5 ILE A 313
ALA A 302
ILE A 315
ILE A   6
THR A 301
 None
 1.12A 2w9sC-2yjgA:
undetectable		 2w9sC-2yjgA:
17.35
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.
2zbk TYPE II DNA
TOPOISOMERASE VI
SUBUNIT A

(Sulfolobus
shibatae) 		PF04406
(TP6A_N) 		5 ILE A 195
LEU A 252
ILE A 169
ILE A 229
PHE A 244
 None
 1.20A 2w9sC-2zbkA:
undetectable		 2w9sC-2zbkA:
18.65
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 ILE A 325
LEU A 420
ILE A 334
SER A 395
ILE A 394
 None
 1.19A 2w9sC-2ze4A:
undetectable		 2w9sC-2ze4A:
14.54
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A  13
LEU A 154
ILE A  51
SER A 316
ILE A 317
 None
 1.13A 2w9sC-3a31A:
undetectable		 2w9sC-3a31A:
18.27
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.
3bcq ALPHA-CHAIN
HEMOGLOBIN

(Brycon cephalus) 		PF00042
(Globin) 		5 ILE A  24
ALA A 111
ILE A  17
SER A 125
ILE A  10
 None
 1.20A 2w9sC-3bcqA:
undetectable		 2w9sC-3bcqA:
22.67
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) 		5 ALA A   6
LEU A  19
ASP A  26
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.60A 2w9sC-3dfrA:
23.9		 2w9sC-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 2w9sC-3dg8A:
20.5		 2w9sC-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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ALA A 388
LEU A 385
ILE A 441
ILE A 411
THR A 463
 None
 1.10A 2w9sC-3fawA:
undetectable		 2w9sC-3fawA:
12.15
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.
3fxa SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 ILE A  47
ILE A  40
SER A 165
PHE A  66
THR A 120
 None
 1.08A 2w9sC-3fxaA:
undetectable		 2w9sC-3fxaA:
23.76
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.
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
 1.09A 2w9sC-3gitA:
undetectable		 2w9sC-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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 ILE A  22
ILE A 137
SER A 187
ILE A 185
THR A  12
 None
 1.16A 2w9sC-3grpA:
undetectable		 2w9sC-3grpA:
21.03
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.
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 2w9sC-3hs0A:
undetectable		 2w9sC-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) 		8 ALA X   7
LEU X  20
ASP X  27
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 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
None
N22  X 219 (-4.4A)
 0.60A 2w9sC-3i8aX:
30.0		 2w9sC-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) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-4.3A)
 0.33A 2w9sC-3ia4A:
25.9		 2w9sC-3ia4A:
41.21
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.
3ikb UNCHARACTERIZED
CONSERVED PROTEIN

(Streptococcus
mutans) 		PF03167
(UDG) 		5 ILE A  83
ILE A 112
ILE A  11
PHE A  87
TYR A  54
 None
None
None
None
FLC  A 196 (-4.2A)
 1.15A 2w9sC-3ikbA:
undetectable		 2w9sC-3ikbA:
22.80
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.
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 2w9sC-3kjrA:
20.9		 2w9sC-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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		5 ILE A  61
ALA A 301
LEU A 268
ILE A 285
THR A 298
 None
 0.97A 2w9sC-3m1rA:
undetectable		 2w9sC-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.
3nea PEPTIDYL-TRNA
HYDROLASE

(Francisella
tularensis) 		PF01195
(Pept_tRNA_hydro) 		5 ILE A 166
ASP A  35
ILE A 170
ILE A   7
PHE A  28
 None
EDO  A 512 (-3.6A)
EDO  A 512 (-4.1A)
None
None
 1.17A 2w9sC-3neaA:
undetectable		 2w9sC-3neaA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 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 2w9sC-3nurA:
undetectable		 2w9sC-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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 ILE A 347
ALA A 384
ILE A 475
SER A 520
ILE A 518
 None
 1.15A 2w9sC-3ob8A:
undetectable		 2w9sC-3ob8A:
8.60
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 ILE A 315
LEU A 436
ILE A 417
ILE A 432
PHE A 312
 None
 1.19A 2w9sC-3odmA:
undetectable		 2w9sC-3odmA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ALA A1250
LEU A1191
ILE A1220
ILE A1111
THR A1228
 None
 1.19A 2w9sC-3oggA:
undetectable		 2w9sC-3oggA:
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.
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
 1.05A 2w9sC-3pfiA:
undetectable		 2w9sC-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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 ILE A  72
LEU A  29
SER A  84
ILE A  83
PHE A  76
 None
 1.15A 2w9sC-3q3hA:
undetectable		 2w9sC-3q3hA:
12.84
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.
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 2w9sC-3rg9A:
19.6		 2w9sC-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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		5 ILE A 410
ILE A 442
SER A 510
ILE A 486
THR A 380
 None
 1.11A 2w9sC-3riqA:
undetectable		 2w9sC-3riqA:
15.47
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
ASP A  28
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)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.44A 2w9sC-3tq9A:
25.4		 2w9sC-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 2w9sC-3u44A:
undetectable		 2w9sC-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)
 0.62A 2w9sC-3um6A:
20.6		 2w9sC-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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B 615
ALA B 753
LEU B 749
ILE B 618
ILE B 598
 None
 1.11A 2w9sC-3v0aB:
undetectable		 2w9sC-3v0aB:
8.51
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.
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
 0.90A 2w9sC-3vcoA:
17.4		 2w9sC-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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 126
ALA A 113
ILE A 103
PHE A  99
THR A 134
 None
 1.15A 2w9sC-3vpxA:
undetectable		 2w9sC-3vpxA:
18.70
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.
3wyd LC-EST1C

(uncultured
organism) 		PF00326
(Peptidase_S9) 		5 ILE A 393
LEU A 325
ILE A 379
SER A 407
PHE A 416
 None
 1.16A 2w9sC-3wydA:
undetectable		 2w9sC-3wydA:
20.43
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 ILE A 135
ILE A 173
SER A 613
ILE A 635
TYR A 517
 None
 1.18A 2w9sC-4aeeA:
undetectable		 2w9sC-4aeeA:
12.42
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 ILE A  69
ALA A  67
LEU A  97
ILE A 230
PHE A  51
 None
 1.17A 2w9sC-4bq4A:
undetectable		 2w9sC-4bq4A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2w9sC-4dngA:
undetectable		 2w9sC-4dngA:
17.58
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 2w9sC-4g8zX:
19.9		 2w9sC-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.
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 2w9sC-4gp1A:
undetectable		 2w9sC-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 2w9sC-4gpvA:
undetectable		 2w9sC-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 2w9sC-4h96A:
18.1		 2w9sC-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)
 0.55A 2w9sC-4h98A:
19.4		 2w9sC-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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		5 ILE A 252
SER A 176
ILE A 160
PHE A 233
THR A 131
 None
 1.13A 2w9sC-4haoA:
undetectable		 2w9sC-4haoA:
21.91
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.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		5 ILE A 306
ALA A 314
ILE A 363
ILE A 326
PHE A 345
 None
 1.15A 2w9sC-4iw7A:
undetectable		 2w9sC-4iw7A:
15.56
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 ILE A 222
LEU A 266
ILE A 210
ILE A 314
TYR A 296
 None
 1.14A 2w9sC-4j9tA:
undetectable		 2w9sC-4j9tA:
15.38
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		5 ILE A 772
ALA A 682
ILE A 768
SER A 710
THR A 683
 None
 1.18A 2w9sC-4k6jA:
undetectable		 2w9sC-4k6jA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqb PROTEIN H03A11.1

(Caenorhabditis
elegans) 		PF06702
(Fam20C) 		5 ALA A 189
LEU A 160
ILE A 234
ILE A 153
PHE A 137
 None
None
ADP  A 608 ( 4.6A)
None
None
 1.17A 2w9sC-4kqbA:
undetectable		 2w9sC-4kqbA:
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.
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
 0.94A 2w9sC-4li3X:
2.7		 2w9sC-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)
 0.63A 2w9sC-4m2xA:
23.0		 2w9sC-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) 		5 ILE A   5
ALA A   7
LEU A  20
ASP A  27
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 (-4.4A)
 0.20A 2w9sC-4m7vA:
25.6		 2w9sC-4m7vA:
42.29
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.
4oen SECOND SUBSTRATE
BINDING DOMAIN OF
PUTATIVE AMINO ACID
ABC TRANSPORTER

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ILE A 297
ALA A 332
ILE A 271
PHE A 451
TYR A 350
 None
ACT  A 507 (-4.3A)
None
None
None
 1.18A 2w9sC-4oenA:
undetectable		 2w9sC-4oenA:
23.11
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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 ALA A  49
ILE A  66
ILE A   6
PHE A  97
TYR A  70
 None
 1.16A 2w9sC-4oseA:
undetectable		 2w9sC-4oseA:
20.60
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 2w9sC-4p68A:
25.9		 2w9sC-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 2w9sC-4r8uB:
undetectable		 2w9sC-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.
4x0q DNA POLYMERASE THETA

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 ILE A2326
ALA A2328
LEU A2538
ILE A2535
ILE A2249
 None
 1.16A 2w9sC-4x0qA:
undetectable		 2w9sC-4x0qA:
11.76
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.
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
 0.87A 2w9sC-5ceeA:
undetectable		 2w9sC-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 2w9sC-5dxvA:
14.2		 2w9sC-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 2w9sC-5f0oA:
undetectable		 2w9sC-5f0oA:
10.30
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.
5f64 POSITIVE
TRANSCRIPTION
REGULATOR EVGA

(Shigella
flexneri) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 ILE A  75
ALA A   3
LEU A  20
ILE A  77
ILE A 110
 None
 1.20A 2w9sC-5f64A:
undetectable		 2w9sC-5f64A:
22.17
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
 0.67A 2w9sC-5fdaA:
17.7		 2w9sC-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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 ILE A 660
ALA A 616
LEU A 681
SER A 697
THR A 612
 None
 1.11A 2w9sC-5jjrA:
undetectable		 2w9sC-5jjrA:
10.70
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.
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 2w9sC-5t0lA:
20.5		 2w9sC-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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 479
LEU B 437
ILE B 410
ILE B 424
PHE B 484
 None
 1.19A 2w9sC-5txrB:
undetectable		 2w9sC-5txrB:
16.00
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.
5vzj EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		5 ILE J 235
LEU J 239
ILE J 256
PHE J 281
THR J 366
 None
 1.18A 2w9sC-5vzjJ:
undetectable		 2w9sC-5vzjJ:
14.82
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 ILE A 350
LEU A 375
ILE A 347
SER A 439
ILE A 440
 None
 1.20A 2w9sC-5z06A:
undetectable		 2w9sC-5z06A:
19.39
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.
6b1z GLUTAMATE--TRNA
LIGASE

(Elizabethkingia
anophelis) 		PF00749
(tRNA-synt_1c) 		5 ILE A 161
LEU A 230
ILE A  98
ILE A 207
PHE A 204
 None
 1.17A 2w9sC-6b1zA:
undetectable		 2w9sC-6b1zA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2w9sC-6b7kA:
undetectable		 2w9sC-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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.60A 2w9sC-6cxmA:
22.2		 2w9sC-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 7 ALA A   7
LEU A  20
ASP A  27
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)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.56A 2w9sC-6e4eA:
30.1		 2w9sC-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
 0.86A 2w9sC-6ehiA:
undetectable		 2w9sC-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.
6f0k ACTF
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 5 ALA C 273
SER F 288
ILE F 285
PHE F 281
THR C 315
 None
 1.19A 2w9sC-6f0kC:
undetectable		 2w9sC-6f0kC:
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.
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
 0.85A 2w9sC-6f8zA:
undetectable		 2w9sC-6f8zA:
17.07
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.
6g3u -

(-) 		no annotation 5 ILE A 698
ALA A 690
LEU A 687
ILE A  26
PHE A 733
 None
 1.15A 2w9sC-6g3uA:
2.4		 2w9sC-6g3uA:
undetectable