SIMILAR PATTERNS OF AMINO ACIDS FOR 2W3V_A_TOPA1169_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  27
PHE A  31
ILE A 100
THR A 121
 None
 0.63A 2w3vA-1cz3A:
18.9		 2w3vA-1cz3A:
29.44
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 354
ILE A  24
LEU A 389
ILE A 350
THR A 366
 None
 1.12A 2w3vA-1ee0A:
undetectable		 2w3vA-1ee0A:
19.24
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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ILE A 364
PHE A 196
LEU A 356
ILE A 163
TYR A 174
 None
 1.13A 2w3vA-1eljA:
undetectable		 2w3vA-1eljA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		5 VAL A  57
ILE A  97
PHE A  85
SER A  93
ILE A   8
 None
 1.12A 2w3vA-1i4wA:
undetectable		 2w3vA-1i4wA:
16.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 VAL A   5
ASP A  36
LEU A  37
PHE A  40
LEU A  59
ILE A 127
 None
 0.85A 2w3vA-1juvA:
16.8		 2w3vA-1juvA:
30.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
ASP A  36
LEU A  37
SER A  58
LEU A  59
 None
None
None
NDP  A 194 ( 3.9A)
None
 0.87A 2w3vA-1juvA:
16.8		 2w3vA-1juvA:
30.50
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 ALA A  87
ILE A 178
LEU A  62
LEU A 171
ILE A  23
 None
 1.09A 2w3vA-1mozA:
undetectable		 2w3vA-1mozA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 ALA A  87
ILE A 178
LEU A  62
LEU A 171
ILE A  90
 None
 1.06A 2w3vA-1mozA:
undetectable		 2w3vA-1mozA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		5 VAL D 138
ALA E 246
LEU E 265
PHE D 119
ILE D 139
 None
 1.09A 2w3vA-1qgeD:
2.7		 2w3vA-1qgeD:
21.46
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.
1rp3 ANTI SIGMA FACTOR
FLGM
RNA POLYMERASE SIGMA
FACTOR SIGMA-28
(FLIA)

(Aquifex
aeolicus) 		PF04316
(FlgM)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		6 ILE A  48
ASP B  35
LEU B  39
LEU A  19
ILE B  11
THR B  17
 None
 1.49A 2w3vA-1rp3A:
undetectable		 2w3vA-1rp3A:
21.99
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.
1shc SHC

(Homo sapiens) 		PF00640
(PID) 		5 VAL A 167
ALA A 165
ILE A  82
ASP A 159
LEU A 110
 None
 1.09A 2w3vA-1shcA:
undetectable		 2w3vA-1shcA:
25.93
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.
1tzx N UTILIZATION
SUBSTANCE PROTEIN B
HOMOLOG

(Thermotoga
maritima) 		PF01029
(NusB) 		5 ALA A 107
SER A  78
LEU A  77
ILE A 126
THR A 103
 None
 1.11A 2w3vA-1tzxA:
undetectable		 2w3vA-1tzxA:
19.19
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) 		5 ALA A   9
PHE A  34
SER A  59
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.71A 2w3vA-1u70A:
21.5		 2w3vA-1u70A:
32.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 VAL A 150
ALA A  47
ILE A  82
ILE A  50
THR A  46
 None
 1.02A 2w3vA-1vcnA:
4.5		 2w3vA-1vcnA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 VAL B 270
ILE B 334
LEU B 116
LEU B 108
THR B 267
 None
 1.13A 2w3vA-1wytB:
undetectable		 2w3vA-1wytB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		6 VAL A 228
ILE A 159
PHE A 217
LEU A  14
ILE A 225
THR A 237
 None
 1.48A 2w3vA-1z9dA:
undetectable		 2w3vA-1z9dA:
20.83
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 ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.42A 2w3vA-1zdrA:
22.5		 2w3vA-1zdrA:
36.84
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.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		5 VAL A 107
LEU A 133
PHE A 130
SER A  92
ILE A  69
 None
 1.12A 2w3vA-1ztvA:
undetectable		 2w3vA-1ztvA:
18.37
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 2w3vA-2blbA:
20.7		 2w3vA-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		5 ALA A 108
LEU A 131
LEU A 114
ILE A 162
THR A 106
 None
 1.09A 2w3vA-2e1tA:
undetectable		 2w3vA-2e1tA:
15.85
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 1.33A 2w3vA-2h2qA:
20.7		 2w3vA-2h2qA:
19.96
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A  26
ALA A  28
ILE A  41
ASP A  48
PHE A  52
ILE A 154
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.62A 2w3vA-2h2qA:
20.7		 2w3vA-2h2qA:
19.96
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A  26
ALA A  28
ILE A  41
ASP A  48
SER A  83
ILE A 154
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 ( 4.4A)
None
None
None
 0.82A 2w3vA-2h2qA:
20.7		 2w3vA-2h2qA:
19.96
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 VAL A 428
ILE A 350
LEU A 239
PHE A 238
SER A 386
 VAL  A 428 ( 0.6A)
ILE  A 350 ( 0.6A)
LEU  A 239 ( 0.6A)
PHE  A 238 ( 1.3A)
SER  A 386 ( 0.0A)
 1.11A 2w3vA-2nvvA:
undetectable		 2w3vA-2nvvA:
15.83
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   9
ALA A  11
ASP A  32
LEU A  33
PHE A  36
SER A  61
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
None
MTX  A 605 ( 4.2A)
 0.59A 2w3vA-2oipA:
21.6		 2w3vA-2oipA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6d DIPHTHINE SYNTHASE

(Pyrococcus
horikoshii) 		PF00590
(TP_methylase) 		5 VAL A 205
ILE A 116
LEU A 163
SER A  37
THR A 123
 None
SAH  A 301 (-3.8A)
None
SAH  A 301 (-3.0A)
None
 1.13A 2w3vA-2p6dA:
undetectable		 2w3vA-2p6dA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 ALA A 180
ILE A 150
LEU A 247
SER A 164
ILE A 220
 None
 1.10A 2w3vA-2pfkA:
undetectable		 2w3vA-2pfkA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A  55
ILE A  81
LEU A 123
ILE A   8
THR A  69
 None
 1.07A 2w3vA-2ppgA:
undetectable		 2w3vA-2ppgA:
18.36
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.
2rk5 PUTATIVE HEMOLYSIN

(Streptococcus
mutans) 		PF03471
(CorC_HlyC) 		5 VAL A  14
ALA A  40
LEU A  20
PHE A  23
ILE A  85
 None
 1.13A 2w3vA-2rk5A:
undetectable		 2w3vA-2rk5A:
18.29
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) 		9 VAL A   9
TRP A  10
ALA A  11
ASP A  31
LEU A  32
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
None
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 1.42A 2w3vA-2w3wA:
31.6		 2w3vA-2w3wA:
100.00
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) 		12 VAL A   9
TRP A  10
ALA A  11
ILE A  24
ASP A  31
LEU A  32
PHE A  35
SER A  53
LEU A  54
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
None
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.50A 2w3vA-2w3wA:
31.6		 2w3vA-2w3wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
LEU A  28
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 1.44A 2w3vA-2w9sA:
23.0		 2w3vA-2w9sA:
32.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
LEU A  28
SER A  49
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.35A 2w3vA-2w9sA:
23.0		 2w3vA-2w9sA:
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 VAL A  58
ILE A 110
LEU A  95
PHE A  92
SER A  49
 None
 1.11A 2w3vA-2xn6A:
undetectable		 2w3vA-2xn6A:
16.62
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		6 VAL A 433
TRP A 435
ILE A 417
LEU A 199
PHE A 202
THR A 438
 None
 1.38A 2w3vA-2zr2A:
undetectable		 2w3vA-2zr2A:
19.00
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 VAL A 393
ALA A 375
LEU A 424
LEU A 435
ILE A 417
 None
 1.08A 2w3vA-2zxhA:
undetectable		 2w3vA-2zxhA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5m UNCHARACTERIZED
PROTEIN

(Rhodopirellula
baltica) 		PF04289
(DUF447) 		5 VAL A 104
LEU A  26
PHE A  37
ILE A  59
THR A 107
 None
 1.11A 2w3vA-3b5mA:
undetectable		 2w3vA-3b5mA:
25.00
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 VAL A 159
TRP A 217
ALA A 216
ILE A 219
THR A 161
 None
 0.97A 2w3vA-3bryA:
undetectable		 2w3vA-3bryA:
16.74
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.
3c4b ENDORIBONUCLEASE
DICER

(Mus musculus) 		PF00636
(Ribonuclease_3) 		5 ALA A1733
ILE A1795
LEU A1667
ILE A1657
TYR A1818
 None
 1.08A 2w3vA-3c4bA:
undetectable		 2w3vA-3c4bA:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 TRP A   5
ALA A   6
ASP A  26
LEU A  27
LEU A  54
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 1.33A 2w3vA-3dfrA:
22.8		 2w3vA-3dfrA:
35.59
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 TRP A   5
ALA A   6
ASP A  26
LEU A  27
PHE A  30
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.3A)
 0.47A 2w3vA-3dfrA:
22.8		 2w3vA-3dfrA:
35.59
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 TRP A   5
ALA A   6
ASP A  26
LEU A  27
SER A  48
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.76A 2w3vA-3dfrA:
22.8		 2w3vA-3dfrA:
35.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ASP A  54
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 1.07A 2w3vA-3dg8A:
20.4		 2w3vA-3dg8A:
22.83
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
PHE A  58
SER A 111
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.63A 2w3vA-3dg8A:
20.4		 2w3vA-3dg8A:
22.83
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 VAL A  83
ILE A 194
LEU A 203
SER A 369
ILE A 198
 None
 1.06A 2w3vA-3epmA:
undetectable		 2w3vA-3epmA:
14.95
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) 		6 ALA X   7
ASP X  27
LEU X  28
SER X  49
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-3.3A)
None
N22  X 219 (-4.4A)
 0.74A 2w3vA-3i8aX:
22.6		 2w3vA-3i8aX:
30.12
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 ALA A   8
LEU A  29
PHE A  32
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.51A 2w3vA-3ia4A:
24.8		 2w3vA-3ia4A:
35.50
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.
3iby FERROUS IRON
TRANSPORT PROTEIN B

(Legionella
pneumophila) 		PF02421
(FeoB_N) 		5 ALA A  20
ILE A 154
LEU A 161
ILE A  52
THR A  16
 None
 1.12A 2w3vA-3ibyA:
undetectable		 2w3vA-3ibyA:
21.83
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 TRP A   9
ALA A  10
LEU A  31
PHE A  34
THR A 119
 None
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.39A 2w3vA-3ix9A:
22.9		 2w3vA-3ix9A:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 1.11A 2w3vA-3kjrA:
20.8		 2w3vA-3kjrA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  29
ASP A  37
SER A  72
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
NAP  A 512 ( 4.2A)
None
None
 0.66A 2w3vA-3kjrA:
20.8		 2w3vA-3kjrA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		5 ILE A 367
LEU A 257
PHE A 256
LEU A 264
ILE A 292
 None
 1.09A 2w3vA-3kq5A:
undetectable		 2w3vA-3kq5A:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 VAL A  44
LEU A 230
LEU A  71
ILE A  13
THR A  46
 None
None
None
FAD  A 500 (-4.8A)
None
 1.11A 2w3vA-3lovA:
undetectable		 2w3vA-3lovA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q34 YCEI-LIKE FAMILY
PROTEIN

(Pseudomonas
savastanoi) 		PF04264
(YceI) 		5 ILE A  96
LEU A  32
LEU A 124
ILE A 155
THR A 149
 UQ8  A   1 (-3.6A)
UQ8  A   1 (-4.3A)
UQ8  A   1 ( 4.7A)
UQ8  A   1 ( 4.8A)
None
 1.08A 2w3vA-3q34A:
undetectable		 2w3vA-3q34A:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 1.34A 2w3vA-3rg9A:
19.9		 2w3vA-3rg9A:
32.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 VAL A  32
ALA A  34
ILE A  47
ASP A  54
PHE A  58
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.54A 2w3vA-3rg9A:
19.9		 2w3vA-3rg9A:
32.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 VAL A  32
ALA A  34
ILE A  47
ASP A  54
PHE A  58
SER A  89
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 0.69A 2w3vA-3rg9A:
19.9		 2w3vA-3rg9A:
32.08
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
LEU A  29
PHE A  32
SER A  50
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.38A 2w3vA-3tq9A:
24.1		 2w3vA-3tq9A:
29.89
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  54
PHE A  58
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 2w3vA-3um6A:
20.3		 2w3vA-3um6A:
13.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  28
PHE A  32
ILE A 111
TYR A 117
THR A 133
 None
 0.56A 2w3vA-3vcoA:
18.6		 2w3vA-3vcoA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  28
SER A  56
TYR A 117
THR A 133
 None
 0.85A 2w3vA-3vcoA:
18.6		 2w3vA-3vcoA:
31.43
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		5 ALA B 156
ILE B 173
LEU B 295
PHE B 274
THR B 153
 None
 0.93A 2w3vA-3vysB:
undetectable		 2w3vA-3vysB:
18.13
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.
3zfc CHROMOSOME-ASSOCIATE
D KINESIN KIF4

(Mus musculus) 		PF00225
(Kinesin) 		5 ALA A  68
ILE A 311
PHE A  65
LEU A 239
ILE A  73
 None
 1.13A 2w3vA-3zfcA:
undetectable		 2w3vA-3zfcA:
18.36
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ALA A 266
PHE A 313
SER A 281
LEU A 285
ILE A 275
 None
 1.13A 2w3vA-4amtA:
undetectable		 2w3vA-4amtA:
16.31
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) 		6 ALA X  12
PHE X  36
SER X  64
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.32A 2w3vA-4g8zX:
21.4		 2w3vA-4g8zX:
32.35
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 ALA A  11
PHE A  36
SER A  61
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.97A 2w3vA-4h96A:
18.2		 2w3vA-4h96A:
30.21
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) 		6 ALA A  11
PHE A  36
SER A  61
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.62A 2w3vA-4h98A:
19.1		 2w3vA-4h98A:
30.97
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 TRP A 282
ALA A 279
ILE A 273
ILE A 448
THR A 283
 None
 1.14A 2w3vA-4i8qA:
undetectable		 2w3vA-4i8qA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jpd PROTEIN CYAY

(Burkholderia
cenocepacia) 		PF01491
(Frataxin_Cyay) 		5 ALA A  91
ILE A  63
PHE A 106
LEU A  42
ILE A 104
 None
 1.04A 2w3vA-4jpdA:
undetectable		 2w3vA-4jpdA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 TRP A   6
ALA A   7
ASP A  27
LEU A  57
ILE A  94
TYR A 100
THR A 113
 None
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 1.35A 2w3vA-4m2xA:
28.1		 2w3vA-4m2xA:
68.26
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) 		10 TRP A   6
ALA A   7
ILE A  20
ASP A  27
PHE A  31
SER A  49
LEU A  50
ILE A  94
TYR A 100
THR A 113
 None
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.52A 2w3vA-4m2xA:
28.1		 2w3vA-4m2xA:
68.26
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 TRP A   6
ALA A   7
ASP A  27
LEU A  28
LEU A  55
THR A 116
 None
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 1.20A 2w3vA-4m7vA:
22.9		 2w3vA-4m7vA:
35.96
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 TRP A   6
ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A 116
 None
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.35A 2w3vA-4m7vA:
22.9		 2w3vA-4m7vA:
35.96
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.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A 225
ILE A 215
LEU A 308
LEU A 329
ILE A 227
 None
 1.13A 2w3vA-4mmoA:
undetectable		 2w3vA-4mmoA:
16.70
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 ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.53A 2w3vA-4p68A:
24.7		 2w3vA-4p68A:
34.50
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.
4pc7 ELONGATION FACTOR TS

(Escherichia
coli) 		PF00889
(EF_TS) 		5 VAL C  60
ASP C  93
LEU C  96
SER C 144
ILE C  61
 None
 1.09A 2w3vA-4pc7C:
undetectable		 2w3vA-4pc7C:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ALA A 193
ILE A 190
LEU A 181
PHE A 152
ILE A  91
 None
 1.02A 2w3vA-4pmhA:
undetectable		 2w3vA-4pmhA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 ALA A 329
ASP A 374
LEU A 375
PHE A 378
SER A 180
 None
 0.87A 2w3vA-4qa9A:
undetectable		 2w3vA-4qa9A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 VAL A  30
ALA A 154
ILE A  62
ILE A  35
THR A  28
 None
 1.11A 2w3vA-4r7fA:
undetectable		 2w3vA-4r7fA:
18.04
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.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		5 VAL A 498
LEU A 433
SER A 443
ILE A 438
TYR A 534
 None
 1.11A 2w3vA-4uxvA:
undetectable		 2w3vA-4uxvA:
16.95
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 ILE A  12
LEU A 352
PHE A 351
LEU A   7
ILE A 303
 None
 1.03A 2w3vA-4wu0A:
undetectable		 2w3vA-4wu0A:
16.89
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.
5cfk PROLIFERATING CELL
NUCLEAR
ANTIGEN,PROLIFERATIN
G CELL NUCLEAR
ANTIGEN

(Leishmania
donovani) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A 241
LEU A  11
ILE A  19
TYR A 249
THR A 220
 None
 1.11A 2w3vA-5cfkA:
undetectable		 2w3vA-5cfkA:
20.83
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) 		5 ALA A   7
PHE A  48
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.33A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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) 		5 ALA A   7
PHE A  48
SER A  66
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.70A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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) 		5 LEU A  45
PHE A  48
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.87A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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) 		5 LEU A  45
PHE A  48
SER A  66
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 1.11A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
PHE A  31
SER A  49
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-4.1A)
5N1  A 202 (-3.6A)
None
 0.74A 2w3vA-5ecxA:
22.4		 2w3vA-5ecxA:
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 ALA A 331
ASP A 376
LEU A 377
PHE A 380
SER A 181
 None
 0.92A 2w3vA-5f4zA:
undetectable		 2w3vA-5f4zA:
18.48
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.
5h3l METHYLGLYOXAL
SYNTHASE

(synthetic
construct) 		PF02142
(MGS) 		5 ALA A  44
ILE A  52
LEU A  26
ILE A  14
THR A  45
 None
None
CME  A  22 ( 4.7A)
None
None
 1.10A 2w3vA-5h3lA:
undetectable		 2w3vA-5h3lA:
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 TRP B  86
ALA B 108
ILE B 106
LEU B  93
LEU B 100
 None
 1.08A 2w3vA-5hzlB:
undetectable		 2w3vA-5hzlB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 5 VAL B 269
ASP B 246
LEU B 536
SER B 550
LEU B 551
 None
 1.11A 2w3vA-5kisB:
undetectable		 2w3vA-5kisB:
10.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjz CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 VAL A 283
ALA A 337
PHE A 324
ILE A 282
THR A 336
 None
PCG  A 401 (-4.0A)
None
None
PCG  A 401 (-3.0A)
 0.85A 2w3vA-5kjzA:
undetectable		 2w3vA-5kjzA:
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.
5lfn CHONDROADHERIN

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 246
PHE A 239
SER A 227
LEU A 226
ILE A 234
 None
 1.13A 2w3vA-5lfnA:
undetectable		 2w3vA-5lfnA:
18.99
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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 5 ALA A 486
ILE A 475
LEU A 458
LEU A 430
THR A 484
 None
 1.10A 2w3vA-5nzgA:
undetectable		 2w3vA-5nzgA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 1.00A 2w3vA-5t0lA:
21.0		 2w3vA-5t0lA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A   8
ALA A  10
ASP A  31
PHE A  35
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.61A 2w3vA-5t0lA:
21.0		 2w3vA-5t0lA:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 LEU A  29
PHE A  32
SER A  50
LEU A  51
ILE A  92
THR A 111
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 1.06A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 TRP A   7
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.25A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
SER A  50
LEU A  51
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.60A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
LEU A  28
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.67A 2w3vA-6e4eA:
22.6		 2w3vA-6e4eA:
undetectable