SIMILAR PATTERNS OF AMINO ACIDS FOR 4I13_A_FOLA201_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
ILE A 100
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.54A 4i13A-1cz3A:
19.9		 4i13A-1cz3A:
29.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.97A 4i13A-1ddgA:
undetectable		 4i13A-1ddgA:
19.46
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) 		7 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
 0.52A 4i13A-1dr6A:
19.8		 4i13A-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eay CHEA

(Escherichia
coli) 		PF09078
(CheY-binding) 		5 ILE C 221
ALA C 210
LEU C 182
LEU C 175
ILE C 216
 None
 0.95A 4i13A-1eayC:
undetectable		 4i13A-1eayC:
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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ILE A  90
ALA A  88
LEU A 136
LEU A 128
ILE A  93
 None
 1.01A 4i13A-1fnnA:
undetectable		 4i13A-1fnnA:
18.09
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 ILE A  63
LEU A  55
ILE A  49
LEU A  98
ILE A  64
 None
 1.00A 4i13A-1j1uA:
undetectable		 4i13A-1j1uA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  37
PHE A  40
LYS A  41
THR A  55
LEU A  63
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
None
None
 1.11A 4i13A-1juvA:
16.8		 4i13A-1juvA:
27.22
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.
1r9w REPLICATION PROTEIN
E1

(Alphapapillomavirus
7) 		PF00519
(PPV_E1_C) 		6 ILE A 282
LEU A 304
PHE A 258
ILE A 266
LEU A 286
ILE A 271
 None
 1.49A 4i13A-1r9wA:
undetectable		 4i13A-1r9wA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
 0.46A 4i13A-1u70A:
19.4		 4i13A-1u70A:
33.51
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) 		7 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
 0.46A 4i13A-1u71A:
19.5		 4i13A-1u71A:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 ILE A 607
THR A 864
ILE A 868
LEU A 819
ILE A 826
 None
 0.99A 4i13A-1urjA:
undetectable		 4i13A-1urjA:
8.70
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 ALA A 612
LEU A 641
THR A 587
LEU A 558
ILE A 564
 None
 0.75A 4i13A-1w8oA:
undetectable		 4i13A-1w8oA:
13.64
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) 		9 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.48A 4i13A-1zdrA:
23.6		 4i13A-1zdrA:
40.49
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.65A 4i13A-2blbA:
19.0		 4i13A-2blbA:
24.59
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.
2bv7 GLYCOLIPID TRANSFER
PROTEIN

(Bos taurus) 		PF08718
(GLTP) 		5 ILE A  18
LEU A  24
PHE A  23
LEU A 101
ILE A 194
 None
 1.00A 4i13A-2bv7A:
undetectable		 4i13A-2bv7A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F) 		PF00541
(Adeno_knob) 		5 ILE A 267
LYS A 365
ILE A 244
LEU A 284
ILE A 269
 None
 1.01A 4i13A-2bzuA:
undetectable		 4i13A-2bzuA:
17.65
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ILE A 257
PHE A 273
ILE A 135
LEU A 266
ILE A 195
 None
 0.98A 4i13A-2cfzA:
undetectable		 4i13A-2cfzA:
12.56
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A 339
PHE A 327
ILE A 404
LEU A 421
ILE A 382
 None
 0.92A 4i13A-2dkdA:
undetectable		 4i13A-2dkdA:
15.26
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 ILE A 291
THR A 158
ILE A 162
LEU A 288
ILE A 290
 None
 0.99A 4i13A-2eguA:
undetectable		 4i13A-2eguA:
18.12
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.
2g3b PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 ILE A  21
ALA A 106
LEU A 118
ILE A  58
ILE A  16
 None
 0.99A 4i13A-2g3bA:
undetectable		 4i13A-2g3bA:
23.50
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.52A 4i13A-2h2qA:
18.4		 4i13A-2h2qA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ILE A 323
LEU A 297
THR A 208
ILE A 212
LEU A 247
 None
 1.02A 4i13A-2hoeA:
undetectable		 4i13A-2hoeA:
17.63
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.
2kbf ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		6 ILE A 335
ALA A 436
THR A 398
ILE A 394
LEU A 390
ILE A 334
 None
 1.41A 4i13A-2kbfA:
undetectable		 4i13A-2kbfA:
22.50
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.
2lp4 CHEMOTAXIS PROTEIN
CHEA

(Escherichia
coli) 		PF01627
(Hpt)
PF09078
(CheY-binding) 		5 ILE A 221
ALA A 210
LEU A 182
LEU A 175
ILE A 216
 None
 0.95A 4i13A-2lp4A:
undetectable		 4i13A-2lp4A:
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.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		5 ALA A  49
TRP A  95
ILE A  22
LEU A  27
ILE A  98
 None
 0.91A 4i13A-2lv5A:
undetectable		 4i13A-2lv5A:
22.56
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
 0.60A 4i13A-2oipA:
19.7		 4i13A-2oipA:
16.88
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
LYS A  33
ILE A  51
LEU A  55
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
 0.78A 4i13A-2qk8A:
23.8		 4i13A-2qk8A:
40.99
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.93A 4i13A-2rjqA:
undetectable		 4i13A-2rjqA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 1.01A 4i13A-2uy3A:
undetectable		 4i13A-2uy3A:
19.44
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) 		7 ALA A  11
LEU A  32
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.36A 4i13A-2w3wA:
23.1		 4i13A-2w3wA:
34.50
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 PHE A  35
LYS A  36
THR A  50
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 1.05A 4i13A-2w3wA:
23.1		 4i13A-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
 0.72A 4i13A-2w9sA:
23.7		 4i13A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.55A 4i13A-2w9sA:
23.7		 4i13A-2w9sA:
38.51
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.89A 4i13A-3b8zA:
undetectable		 4i13A-3b8zA:
21.36
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.
3c3k ALANINE RACEMASE

(Actinobacillus
succinogenes) 		PF13377
(Peripla_BP_3) 		5 ILE A 130
LYS A 172
ILE A 210
LEU A 203
ILE A 188
 None
 0.99A 4i13A-3c3kA:
2.5		 4i13A-3c3kA:
22.02
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 ILE A  95
ALA A  92
PHE A  90
ILE A 263
LEU A 258
 None
 0.96A 4i13A-3cl6A:
undetectable		 4i13A-3cl6A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
PHE A  30
THR A  45
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
 0.60A 4i13A-3dfrA:
22.6		 4i13A-3dfrA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
 0.54A 4i13A-3dg8A:
19.2		 4i13A-3dg8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
 None
None
FAD  A 500 (-3.8A)
None
None
 0.92A 4i13A-3dmeA:
undetectable		 4i13A-3dmeA:
18.03
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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		5 LEU A 114
PHE A 117
ILE A  48
LEU A 121
ILE A 102
 LEU  A 114 ( 0.6A)
PHE  A 117 ( 1.3A)
ILE  A  48 ( 0.7A)
LEU  A 121 ( 0.6A)
ILE  A 102 ( 0.7A)
 0.93A 4i13A-3eqzA:
undetectable		 4i13A-3eqzA:
17.88
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		6 ILE A 165
ALA A 169
LEU A 177
ILE A  73
LEU A 158
ILE A 162
 None
 1.13A 4i13A-3f9kA:
undetectable		 4i13A-3f9kA:
20.18
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 ILE A  83
THR A   6
ILE A  10
LEU A  52
ILE A  82
 None
 1.01A 4i13A-3fsgA:
undetectable		 4i13A-3fsgA:
20.08
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) 		5 ALA X   7
LEU X  28
THR X  46
ILE X  50
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
 0.53A 4i13A-3i8aX:
23.9		 4i13A-3i8aX:
37.50
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
LYS X  32
THR X  46
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.70A 4i13A-3i8aX:
23.9		 4i13A-3i8aX:
37.50
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) 		9 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
 0.52A 4i13A-3ia4A:
26.3		 4i13A-3ia4A:
55.83
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) 		9 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.62A 4i13A-3ia4A:
26.3		 4i13A-3ia4A:
55.83
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.
3ile PUTATIVE
UNCHARACTERIZED
PROTEIN

(Acidianus
filamentous
virus 1) 		PF11646
(DUF3258) 		6 ILE A  73
LEU A  60
PHE A  71
ILE A 102
LEU A 150
ILE A 146
 None
 1.49A 4i13A-3ileA:
undetectable		 4i13A-3ileA:
21.39
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.
3iwt 178AA LONG
HYPOTHETICAL
MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Sulfurisphaera
tokodaii) 		PF00994
(MoCF_biosynth) 		5 ILE A  21
LEU A  70
ILE A 142
LEU A  77
ILE A  85
 None
 0.93A 4i13A-3iwtA:
undetectable		 4i13A-3iwtA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
LEU A  58
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
 0.67A 4i13A-3ix9A:
23.4		 4i13A-3ix9A:
35.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
 0.43A 4i13A-3ix9A:
23.4		 4i13A-3ix9A:
35.79
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 ALA A 743
LEU A 784
PHE A 741
ILE A 761
LEU A 763
ILE A 694
 None
 1.42A 4i13A-3k4xA:
undetectable		 4i13A-3k4xA:
12.29
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ALA A   9
LEU A  98
ILE A  92
LEU A 127
ILE A 105
 None
 0.95A 4i13A-3k96A:
undetectable		 4i13A-3k96A:
18.16
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
 0.68A 4i13A-3kjrA:
19.8		 4i13A-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 ILE A 263
ALA A 221
LEU A 285
ILE A 279
LEU A 325
 None
 0.96A 4i13A-3lggA:
undetectable		 4i13A-3lggA:
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.
3lor THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXINS

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		5 ILE A  60
LEU A 153
ILE A 124
LEU A 146
ILE A  56
 None
 0.73A 4i13A-3lorA:
undetectable		 4i13A-3lorA:
20.12
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.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ALA A 116
LEU A 207
THR A 203
ILE A  92
LEU A 143
 None
 0.97A 4i13A-3mb8A:
undetectable		 4i13A-3mb8A:
20.79
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.
3mcq THIAMINE-MONOPHOSPHA
TE KINASE

(Methylobacillus
flagellatus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 274
ALA A 202
LEU A 262
LEU A 281
ILE A 277
 None
 1.01A 4i13A-3mcqA:
undetectable		 4i13A-3mcqA:
21.97
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 ( 3.9A)
None
 0.31A 4i13A-3rg9A:
18.3		 4i13A-3rg9A:
27.92
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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 ILE B 381
THR B 427
ILE B 431
LEU B 417
ILE B 362
 None
 1.01A 4i13A-3thwB:
undetectable		 4i13A-3thwB:
10.94
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) 		9 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 0.50A 4i13A-3tq9A:
23.7		 4i13A-3tq9A:
43.98
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) 		6 ILE A  94
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
 None
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 1.31A 4i13A-3tq9A:
23.7		 4i13A-3tq9A:
43.98
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) 		6 LEU A  29
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.42A 4i13A-3tq9A:
23.7		 4i13A-3tq9A:
43.98
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.63A 4i13A-3um6A:
19.2		 4i13A-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
ILE A 111
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
 0.89A 4i13A-3vcoA:
18.8		 4i13A-3vcoA:
29.35
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.62A 4i13A-3vcoA:
18.8		 4i13A-3vcoA:
29.35
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A 267
LEU A 361
THR A 336
ILE A 358
LEU A 352
 None
 1.02A 4i13A-4a1oA:
undetectable		 4i13A-4a1oA:
15.02
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 ILE A 119
LEU A 131
ILE A  99
LEU A  97
ILE A 227
 None
 0.96A 4i13A-4bq4A:
undetectable		 4i13A-4bq4A:
12.37
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 298
THR A 333
ILE A 331
LEU A 348
ILE A 297
 None
 1.00A 4i13A-4c23A:
undetectable		 4i13A-4c23A:
17.27
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 0.96A 4i13A-4cnkA:
undetectable		 4i13A-4cnkA:
16.07
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.
4dq6 PUTATIVE PYRIDOXAL
PHOSPHATE-DEPENDENT
TRANSFERASE

(Clostridioides
difficile) 		PF00155
(Aminotran_1_2) 		5 ILE A 387
PHE A 329
ILE A 367
LEU A 351
ILE A 383
 None
 0.99A 4i13A-4dq6A:
undetectable		 4i13A-4dq6A:
18.09
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) 		8 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.42A 4i13A-4g8zX:
18.9		 4i13A-4g8zX:
30.54
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) 		9 ILE A   9
ALA A  11
PHE A  36
LYS A  37
THR A  58
ILE A  62
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
 0.70A 4i13A-4h96A:
17.1		 4i13A-4h96A:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
14Q  A 302 ( 4.0A)
None
 0.47A 4i13A-4h98A:
17.5		 4i13A-4h98A:
27.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 ILE A  83
LEU A  54
ILE A  29
LEU A  41
ILE A  82
 None
 0.99A 4i13A-4lb0A:
undetectable		 4i13A-4lb0A:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 ( 3.8A)
None
 0.31A 4i13A-4m2xA:
21.5		 4i13A-4m2xA:
35.50
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  28
PHE A  31
LEU A  55
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
 0.71A 4i13A-4m7vA:
23.0		 4i13A-4m7vA:
37.71
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  28
PHE A  31
THR A  46
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
 0.37A 4i13A-4m7vA:
23.0		 4i13A-4m7vA:
37.71
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.
4mdy PERIPLASMIC BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01497
(Peripla_BP_2) 		6 TRP A 156
PHE A 222
THR A 255
ILE A 253
LEU A 308
ILE A 293
 None
 1.50A 4i13A-4mdyA:
undetectable		 4i13A-4mdyA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   6
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
 NAP  A 202 ( 4.2A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
 1.42A 4i13A-4p68A:
28.3		 4i13A-4p68A:
98.11
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) 		9 ILE A   5
ALA A   7
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
 0.40A 4i13A-4p68A:
28.3		 4i13A-4p68A:
98.11
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.
4r7r PUTATIVE LIPOPROTEIN

(Clostridium
perfringens) 		PF16224
(DUF4883) 		5 ILE A  22
LEU A  47
ILE A  88
LEU A 113
ILE A  69
 None
GOL  A 201 (-3.9A)
None
None
None
 0.95A 4i13A-4r7rA:
undetectable		 4i13A-4r7rA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE

(Acinetobacter
baumannii) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A  60
LEU A  96
PHE A  99
LEU A  84
ILE A 127
 None
None
None
ANP  A 401 (-4.2A)
None
 0.90A 4i13A-5cc8A:
undetectable		 4i13A-5cc8A:
18.93
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 ALA A   6
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
 1.37A 4i13A-5dxvA:
17.3		 4i13A-5dxvA:
69.10
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) 		9 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.48A 4i13A-5dxvA:
17.3		 4i13A-5dxvA:
69.10
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) 		9 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.80A 4i13A-5dxvA:
17.3		 4i13A-5dxvA:
69.10
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
THR A  47
ILE A  51
LEU A  55
TYR A 101
 None
 0.55A 4i13A-5fdaA:
20.3		 4i13A-5fdaA:
80.62
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		5 ILE A 281
ALA A 279
LEU A 269
LEU A 302
ILE A 284
 None
 0.90A 4i13A-5frsA:
undetectable		 4i13A-5frsA:
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ILE A 902
LEU A 989
PHE A 948
ILE A 959
ILE A 921
 None
 0.99A 4i13A-5hy7A:
undetectable		 4i13A-5hy7A:
9.11
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 LEU A 731
PHE A 734
ILE A 767
LEU A 738
ILE A 789
 None
 1.01A 4i13A-5nprA:
undetectable		 4i13A-5nprA:
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 ILE A 315
LEU A 266
PHE A 402
LEU A 300
ILE A 376
 None
 0.96A 4i13A-5szsA:
undetectable		 4i13A-5szsA:
8.75
Potential target for repurposing, i.e. matched protein structure has less than 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
PHE A  35
THR A  83
LEU A  94
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
 0.36A 4i13A-5t0lA:
19.9		 4i13A-5t0lA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 0.93A 4i13A-5um8G:
undetectable		 4i13A-5um8G:
17.22
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 5 GLU A 234
THR A 238
ILE A 184
LEU A 150
ILE A 212
 None
 0.87A 4i13A-6b2wA:
undetectable		 4i13A-6b2wA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.72A 4i13A-6cxmA:
20.1		 4i13A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.46A 4i13A-6cxmA:
20.1		 4i13A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 0.97A 4i13A-6dcqA:
undetectable		 4i13A-6dcqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.75A 4i13A-6e4eA:
23.8		 4i13A-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.
6ek7 YAXA

(Yersinia
enterocolitica) 		no annotation 5 ILE A 135
LEU A 368
PHE A 373
LEU A 176
ILE A 131
 MPD  A 503 ( 4.4A)
None
None
MPD  A 502 ( 4.3A)
None
 1.00A 4i13A-6ek7A:
undetectable		 4i13A-6ek7A:
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.
6emv TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 103
ALA A 140
LEU A 130
ILE A 254
ILE A 201
 None
None
None
None
SAH  A 301 ( 4.6A)
 0.97A 4i13A-6emvA:
undetectable		 4i13A-6emvA:
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.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
 None
 0.94A 4i13A-6ft1A:
undetectable		 4i13A-6ft1A:
undetectable