SIMILAR PATTERNS OF AMINO ACIDS FOR 4P3Q_A_FOLA201

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) 		7 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
PRO A  56
ILE A 100
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.44A 4p3qA-1cz3A:
20.1		 4p3qA-1cz3A:
29.05
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
 0.61A 4p3qA-1dr6A:
21.2		 4p3qA-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.
1i1g TRANSCRIPTIONAL
REGULATOR LRPA

(Pyrococcus
furiosus) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		5 ILE A 125
ALA A  81
THR A  68
ILE A 106
ILE A 122
 None
 1.05A 4p3qA-1i1gA:
undetectable		 4p3qA-1i1gA:
20.13
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 252
ILE A 267
LEU A 291
ILE A 265
TYR A 218
 None
 1.00A 4p3qA-1iwaA:
undetectable		 4p3qA-1iwaA:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 PHE A  40
LYS A  41
THR A  55
LEU A  63
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
 0.78A 4p3qA-1juvA:
17.9		 4p3qA-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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 PHE A  40
LYS A  41
THR A  55
LEU A  63
PRO A  64
 None
None
NDP  A 194 (-3.3A)
None
None
 0.82A 4p3qA-1juvA:
17.9		 4p3qA-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ILE A 223
PHE A 256
ILE A  17
LEU A 199
ILE A 220
 None
 1.03A 4p3qA-1l5jA:
undetectable		 4p3qA-1l5jA:
11.92
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.
1m3s HYPOTHETICAL PROTEIN
YCKF

(Bacillus
subtilis) 		PF01380
(SIS) 		5 ILE A  21
PHE A 158
ILE A  83
LEU A  29
ILE A 127
 None
 1.01A 4p3qA-1m3sA:
undetectable		 4p3qA-1m3sA:
23.04
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
 0.55A 4p3qA-1u70A:
20.5		 4p3qA-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 4p3qA-1u71A:
20.9		 4p3qA-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
 0.88A 4p3qA-1urjA:
undetectable		 4p3qA-1urjA:
8.70
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
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
PRO A  55
ILE A  96
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.89A 4p3qA-1zdrA:
25.4		 4p3qA-1zdrA:
40.49
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) 		5 PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.05A 4p3qA-1zdrA:
25.4		 4p3qA-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) 		8 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
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)
None
CP7  A1240 ( 3.8A)
None
 0.65A 4p3qA-2blbA:
20.5		 4p3qA-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.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE

(Oryza sativa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  80
THR A 151
ILE A 154
LEU A 158
PRO A 159
 None
 0.98A 4p3qA-2cvoA:
undetectable		 4p3qA-2cvoA:
19.10
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.
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
 0.99A 4p3qA-2dkdA:
undetectable		 4p3qA-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.
2eo9 ROUNDABOUT HOMOLOG 1

(Homo sapiens) 		PF13927
(Ig_3) 		5 ILE A  56
ILE A  94
LEU A  28
PRO A  15
ILE A  66
 None
 1.06A 4p3qA-2eo9A:
undetectable		 4p3qA-2eo9A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		5 ILE A 246
ALA A 244
LEU A 256
PRO A 253
ILE A 159
 None
 0.90A 4p3qA-2g5dA:
undetectable		 4p3qA-2g5dA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
PRO A  92
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.56A 4p3qA-2h2qA:
20.0		 4p3qA-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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 ILE A  67
ILE A 102
LEU A 109
PRO A 108
ILE A  97
 None
 1.06A 4p3qA-2hj0A:
undetectable		 4p3qA-2hj0A:
15.97
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.
2jy9 PUTATIVE TRNA
HYDROLASE DOMAIN

(Salmonella
enterica) 		PF00472
(RF-1) 		5 ILE A   2
PHE A  41
THR A  99
LEU A  48
ILE A   4
 None
 1.06A 4p3qA-2jy9A:
undetectable		 4p3qA-2jy9A:
19.88
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.
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
 1.46A 4p3qA-2kbfA:
undetectable		 4p3qA-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.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		5 ALA A  49
TRP A  95
ILE A  22
LEU A  27
ILE A  98
 None
 0.98A 4p3qA-2lv5A:
undetectable		 4p3qA-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) 		6 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
 0.51A 4p3qA-2oipA:
21.6		 4p3qA-2oipA:
16.88
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  24
THR A  95
ILE A  98
LEU A 102
PRO A 103
 None
 1.02A 4p3qA-2q49A:
undetectable		 4p3qA-2q49A:
20.28
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
LYS A  33
ILE A  51
LEU A  55
PRO A  56
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.8A)
None
 1.02A 4p3qA-2qk8A:
25.5		 4p3qA-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.
2qr3 TWO-COMPONENT SYSTEM
RESPONSE REGULATOR

(Bacteroides
fragilis) 		PF00072
(Response_reg) 		5 ILE A   6
ILE A  72
LEU A  37
PRO A  34
ILE A   5
 None
 1.04A 4p3qA-2qr3A:
undetectable		 4p3qA-2qr3A:
19.02
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.
2r0v CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4

(Saccharomyces
cerevisiae) 		PF00439
(Bromodomain) 		5 ILE A 167
MET A 257
LYS A 174
ILE A 289
ILE A 250
 None
None
None
SO4  A 343 (-3.8A)
None
 0.97A 4p3qA-2r0vA:
undetectable		 4p3qA-2r0vA:
16.99
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.
2r41 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06124
(DUF960) 		5 ILE A  87
ALA A  89
ILE A  73
LEU A  75
PRO A  76
 None
 0.94A 4p3qA-2r41A:
undetectable		 4p3qA-2r41A:
20.86
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
PHE A  35
THR A  50
LEU A  61
PRO A  62
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.2A)
None
 0.27A 4p3qA-2w3wA:
24.9		 4p3qA-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
 1.45A 4p3qA-2w3wA:
24.9		 4p3qA-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
THR A  46
ILE A  50
LEU A  54
PRO A  55
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.37A 4p3qA-2w9sA:
26.0		 4p3qA-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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 228
THR A 190
ILE A 194
LEU A 219
ILE A 227
 None
 1.00A 4p3qA-3au9A:
undetectable		 4p3qA-3au9A:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
PHE A  30
THR A  45
LEU A  54
PRO A  55
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
None
 0.70A 4p3qA-3dfrA:
24.2		 4p3qA-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)
 0.58A 4p3qA-3dg8A:
21.0		 4p3qA-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.
3eqx FIC DOMAIN
CONTAINING
TRANSCRIPTIONAL
REGULATOR

(Shewanella
oneidensis) 		PF02661
(Fic)
PF13784
(Fic_N) 		5 ILE A  58
MET A 360
THR A 271
ILE A 275
ILE A 226
 None
 1.05A 4p3qA-3eqxA:
undetectable		 4p3qA-3eqxA:
17.91
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.
3h7t GROUP 3 ALLERGEN
SMIPP-S YVT004A06

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		5 ILE A 227
THR A  32
LEU A 107
PRO A 108
ILE A 228
 None
 1.06A 4p3qA-3h7tA:
undetectable		 4p3qA-3h7tA:
19.83
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) 		7 ALA X   7
LYS X  32
THR X  46
ILE X  50
LEU X  54
PRO X  55
TYR X  98
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
 1.05A 4p3qA-3i8aX:
26.0		 4p3qA-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) 		7 ALA A   7
MET A  21
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
 NDP  A 163 ( 3.9A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
 1.35A 4p3qA-3ia4A:
28.4		 4p3qA-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) 		7 ALA A   7
MET A  21
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
 NDP  A 163 ( 3.9A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.43A 4p3qA-3ia4A:
28.4		 4p3qA-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) 		6 ALA A   7
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.24A 4p3qA-3ia4A:
28.4		 4p3qA-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) 		10 ILE A   6
ALA A   8
MET A  21
PHE A  32
LYS A  33
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 (-3.3A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.76A 4p3qA-3ia4A:
28.4		 4p3qA-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) 		10 ILE A   6
ALA A   8
MET A  21
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 4.2A)
None
 0.78A 4p3qA-3ia4A:
28.4		 4p3qA-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.
3iab RIBONUCLEASES P/MRP
PROTEIN SUBUNIT POP6
RIBONUCLEASES P/MRP
PROTEIN SUBUNIT POP7

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01918
(Alba)
PF12328
(Rpp20) 		5 ILE B 138
ALA B  64
THR A 156
PRO A 136
ILE B  90
 None
 0.91A 4p3qA-3iabB:
undetectable		 4p3qA-3iabB:
20.12
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) 		7 ILE A   8
ALA A  10
PHE A  34
LYS A  35
THR A  49
LEU A  58
PRO A  59
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.7A)
 0.91A 4p3qA-3ix9A:
25.3		 4p3qA-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.
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
 0.67A 4p3qA-3kjrA:
21.3		 4p3qA-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.
3mtk DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Caldicellulosiruptor
saccharolyticus) 		PF00990
(GGDEF) 		5 MET A 288
PHE A 272
LEU A 199
PRO A 200
TYR A 296
 None
 1.06A 4p3qA-3mtkA:
undetectable		 4p3qA-3mtkA:
23.94
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.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		5 THR A 103
ILE A 101
LEU A 160
PRO A 159
ILE A  94
 None
 0.85A 4p3qA-3pgvA:
undetectable		 4p3qA-3pgvA:
18.77
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.
3puk SYNTAXIN-BINDING
PROTEIN 3

(Mus musculus) 		PF00995
(Sec1) 		5 ILE A 238
ILE A 181
LEU A 235
PRO A 192
ILE A 237
 None
 1.06A 4p3qA-3pukA:
undetectable		 4p3qA-3pukA:
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		5 ALA A 250
PHE A 160
LEU A 140
PRO A 139
ILE A 243
 None
 0.95A 4p3qA-3qpfA:
undetectable		 4p3qA-3qpfA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.25A 4p3qA-3rg9A:
19.9		 4p3qA-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.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 0.94A 4p3qA-3s5uA:
undetectable		 4p3qA-3s5uA:
21.83
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 ALA A   7
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.23A 4p3qA-3tq9A:
25.9		 4p3qA-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) 		8 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
PRO A  56
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 0.62A 4p3qA-3tq9A:
25.9		 4p3qA-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) 		8 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 ( 4.2A)
 0.34A 4p3qA-3tq9A:
25.9		 4p3qA-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
THR A  47
ILE A  51
LEU A  55
PRO A  56
ILE A  96
 None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 ( 4.2A)
 1.27A 4p3qA-3tq9A:
25.9		 4p3qA-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) 		6 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.29A 4p3qA-3um6A:
20.8		 4p3qA-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
THR A 108
ILE A 112
LEU A 119
ILE A 164
 1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
 0.73A 4p3qA-3um6A:
20.8		 4p3qA-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) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.78A 4p3qA-3vcoA:
18.5		 4p3qA-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.
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
 0.88A 4p3qA-4c23A:
undetectable		 4p3qA-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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		5 ALA A 182
PHE A  63
ILE A  59
LEU A  74
PRO A  75
 None
 1.04A 4p3qA-4ccsA:
undetectable		 4p3qA-4ccsA:
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.
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
 1.01A 4p3qA-4dq6A:
undetectable		 4p3qA-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
 0.48A 4p3qA-4g8zX:
20.5		 4p3qA-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) 		10 ILE A   9
ALA A  11
MET A  25
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)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
 1.08A 4p3qA-4h96A:
18.4		 4p3qA-4h96A:
32.31
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
MET A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
PRO A  70
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
 0.84A 4p3qA-4h96A:
18.4		 4p3qA-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) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
PRO A  70
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
None
14Q  A 302 ( 4.0A)
None
 0.48A 4p3qA-4h98A:
19.3		 4p3qA-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.
4lg8 PRE-MRNA-PROCESSING
FACTOR 19

(Homo sapiens) 		PF00400
(WD40) 		5 ILE A 290
TRP A 291
PHE A 280
LEU A 314
ILE A 335
 None
 1.04A 4p3qA-4lg8A:
undetectable		 4p3qA-4lg8A:
19.17
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) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
PRO A  58
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
None
TMQ  A 202 ( 3.8A)
None
 0.38A 4p3qA-4m2xA:
23.2		 4p3qA-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
PHE A  31
LEU A  55
PRO A  56
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 4.6A)
 0.69A 4p3qA-4m7vA:
24.8		 4p3qA-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
PHE A  31
THR A  46
PRO A  56
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 4.6A)
 0.52A 4p3qA-4m7vA:
24.8		 4p3qA-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) 		7 TRP A 156
PHE A 222
THR A 255
ILE A 253
LEU A 308
PRO A 309
ILE A 293
 None
 1.48A 4p3qA-4mdyA:
undetectable		 4p3qA-4mdyA:
20.48
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		5 ILE A 156
THR A 151
ILE A 148
LEU A  48
ILE A 108
 None
GOL  A 302 (-3.9A)
None
None
None
 1.06A 4p3qA-4nx8A:
undetectable		 4p3qA-4nx8A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ALA A 473
ILE A 567
LEU A 569
PRO A 570
ILE A 520
 None
 1.02A 4p3qA-4p08A:
undetectable		 4p3qA-4p08A:
14.19
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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A  14
PHE A  20
THR A 184
LEU A 191
PRO A 192
 None
 0.96A 4p3qA-4p52A:
undetectable		 4p3qA-4p52A:
20.24
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) 		10 ILE A   5
ALA A   7
MET A  20
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
ILE A  94
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 ( 4.3A)
 0.95A 4p3qA-4p68A:
30.5		 4p3qA-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) 		10 ILE A   5
ALA A   7
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
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)
XCN  A  54 ( 2.6A)
MTX  A 201 ( 4.3A)
None
 0.77A 4p3qA-4p68A:
30.5		 4p3qA-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.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		6 TRP A 135
PHE A 201
ILE A 240
LEU A 295
PRO A 296
ILE A 280
 None
 1.29A 4p3qA-4pm4A:
undetectable		 4p3qA-4pm4A:
19.54
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 228
THR A 190
ILE A 194
LEU A 219
ILE A 227
 None
 0.97A 4p3qA-4y67A:
undetectable		 4p3qA-4y67A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yco TRNA-DIHYDROURIDINE
SYNTHASE C

(Escherichia
coli) 		PF01207
(Dus) 		5 ILE A 119
ALA A 160
LYS A 139
ILE A 189
ILE A 153
 None
None
FMN  A 401 (-2.6A)
None
None
 1.01A 4p3qA-4ycoA:
undetectable		 4p3qA-4ycoA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A2777
ILE A2916
LEU A2918
PRO A2919
TYR A2908
 None
 1.05A 4p3qA-4z37A:
undetectable		 4p3qA-4z37A:
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.
5b71 COMPLEMENT C5 BETA
CHAIN

(Homo sapiens) 		no annotation 5 ILE E  87
ALA E  35
ILE E  39
LEU E 104
ILE E  56
 None
 1.04A 4p3qA-5b71E:
undetectable		 4p3qA-5b71E:
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 ILE A 118
THR A  19
LEU A  37
PRO A  38
ILE A 115
 None
 1.05A 4p3qA-5de0A:
undetectable		 4p3qA-5de0A:
18.59
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) 		7 ALA A   6
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
PRO A  72
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 1.48A 4p3qA-5dxvA:
17.4		 4p3qA-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) 		10 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
PRO A  72
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
None
 0.40A 4p3qA-5dxvA:
17.4		 4p3qA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
PRO A  54
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 1.02A 4p3qA-5ecxA:
24.3		 4p3qA-5ecxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
PRO A  54
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
None
 0.62A 4p3qA-5ecxA:
24.3		 4p3qA-5ecxA:
30.67
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.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		5 ILE A 328
PHE A 335
LEU A 320
PRO A 321
ILE A 274
 None
 1.05A 4p3qA-5f1yA:
undetectable		 4p3qA-5f1yA:
20.18
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) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
PRO A  56
TYR A 101
 None
 0.68A 4p3qA-5fdaA:
20.1		 4p3qA-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.
5fef PROFILIN-5

(Zea mays) 		PF00235
(Profilin) 		5 ILE A 105
ALA A  24
ILE A  83
LEU A  65
ILE A  92
 None
None
GOL  A 201 ( 4.9A)
None
None
 1.05A 4p3qA-5fefA:
undetectable		 4p3qA-5fefA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 340
ALA A 388
PHE A 375
LEU A 352
ILE A 339
 CMP  A 502 ( 4.1A)
CMP  A 502 (-3.5A)
None
None
None
 1.05A 4p3qA-5kbfA:
undetectable		 4p3qA-5kbfA:
21.35
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ILE A 204
ALA A 206
TRP A 205
LEU A 177
PRO A 178
 None
 1.00A 4p3qA-5kh1A:
undetectable		 4p3qA-5kh1A:
14.34
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.
5nr4 CLIP-ASSOCIATING
PROTEIN 2

(Homo sapiens) 		no annotation 5 ILE A 189
PHE A 177
ILE A 170
LEU A 207
ILE A 192
 None
 1.02A 4p3qA-5nr4A:
undetectable		 4p3qA-5nr4A:
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		5 ILE A 208
ALA A 257
LEU A 135
PRO A 136
ILE A 265
 None
 1.05A 4p3qA-5o3mA:
undetectable		 4p3qA-5o3mA:
15.67
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.
5ohs -

(-) 		no annotation 5 ALA A 106
PHE A 190
ILE A 198
PRO A 130
TYR A 176
 None
 1.03A 4p3qA-5ohsA:
undetectable		 4p3qA-5ohsA:
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.
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
 0.27A 4p3qA-5t0lA:
21.5		 4p3qA-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.
5v4f PUTATIVE
TRANSLATIONAL
INHIBITOR PROTEIN

(Yersinia pestis) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A 100
THR A  81
ILE A 125
LEU A  51
ILE A  94
 None
None
None
GOL  A 205 (-4.2A)
None
 1.02A 4p3qA-5v4fA:
undetectable		 4p3qA-5v4fA:
25.31
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.
6b8d ELONGATION FACTOR G

(Haemophilus
influenzae) 		no annotation 5 ILE A  30
THR A 265
ILE A 138
LEU A 286
PRO A 287
 None
 0.98A 4p3qA-6b8dA:
undetectable		 4p3qA-6b8dA:
19.26
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
PRO A  59
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 (-4.6A)
MMV  A 202 ( 4.2A)
None
 0.77A 4p3qA-6cxmA:
21.9		 4p3qA-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.
6e4e -

(-) 		no annotation 5 ALA A   7
THR A  46
ILE A  50
LEU A  54
PRO A  55
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.52A 4p3qA-6e4eA:
25.9		 4p3qA-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.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
 None
 0.89A 4p3qA-6ft1A:
undetectable		 4p3qA-6ft1A:
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ASP A 727
LEU A 726
ARG A 677
ARG A 596
 None
 1.40A 4p3qA-1e1cA:
undetectable		 4p3qA-1e1cA:
10.94
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.
1e2t N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Salmonella
enterica) 		PF00797
(Acetyltransf_2) 		4 ASP A 122
LEU A 110
ARG A  81
THR A 129
 None
 1.42A 4p3qA-1e2tA:
undetectable		 4p3qA-1e2tA:
19.79
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 ASP A  73
LEU A  76
ARG A  40
THR A  68
 None
 1.26A 4p3qA-1hkkA:
undetectable		 4p3qA-1hkkA:
18.26
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		4 ASP A  95
LEU A  94
ARG A 167
THR A 101
 None
 1.41A 4p3qA-1luaA:
undetectable		 4p3qA-1luaA:
18.82
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ASP A 145
LEU A 135
ARG A 292
THR A 148
 None
 1.47A 4p3qA-1mpxA:
undetectable		 4p3qA-1mpxA:
14.59
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ASP C 124
LEU C 100
ARG C 281
THR C 217
 FAD  C3932 (-3.8A)
None
None
None
 1.28A 4p3qA-1n61C:
undetectable		 4p3qA-1n61C:
19.86
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.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 ASP A  82
LEU A 152
ARG A   6
THR A  80
 None
 1.45A 4p3qA-1rfeA:
undetectable		 4p3qA-1rfeA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASP A 116
LEU A 115
ARG A 144
THR A 100
 None
 1.46A 4p3qA-1yb4A:
undetectable		 4p3qA-1yb4A:
19.66
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) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.74A 4p3qA-1zdrA:
25.4		 4p3qA-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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		4 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.41A 4p3qA-2au1A:
undetectable		 4p3qA-2au1A:
17.01
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.
2c1d SOXA
SOXX

(Paracoccus
denitrificans;
Paracoccus
pantotrophus) 		no annotation
PF00034
(Cytochrom_C) 		4 LEU A 223
ARG A 247
ARG A  68
THR B  78
 HEC  A1292 (-4.9A)
HEC  A1292 (-3.4A)
HEC  A1292 (-3.1A)
None
 1.46A 4p3qA-2c1dA:
undetectable		 4p3qA-2c1dA:
18.87
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASP A 121
LEU A 243
ARG A 312
THR A 145
 None
1DO  A1655 ( 4.7A)
1DO  A1655 (-4.3A)
None
 1.45A 4p3qA-2cfzA:
undetectable		 4p3qA-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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A  53
LEU A  37
ARG A   2
THR A  50
 None
 1.39A 4p3qA-2cukA:
undetectable		 4p3qA-2cukA:
19.48
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus;
Staphylococcus
aureus) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 LEU B  48
ARG B  78
ARG A 323
THR A 106
 None
 1.34A 4p3qA-2f2aB:
undetectable		 4p3qA-2f2aB:
16.32
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 ASP A 257
LEU A  90
ARG A  85
THR A 259
 None
 1.49A 4p3qA-2g4oA:
undetectable		 4p3qA-2g4oA:
19.82
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		4 ASP A  89
LEU A  90
ARG A 134
THR A  83
 None
None
CL  A 610 ( 4.6A)
None
 1.47A 4p3qA-2id3A:
undetectable		 4p3qA-2id3A:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A  32
LEU A  33
ARG A  70
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.54A 4p3qA-2oipA:
21.6		 4p3qA-2oipA:
16.88
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A1392
ARG A1502
ARG A1669
THR A1022
 None
 1.16A 4p3qA-2pffA:
undetectable		 4p3qA-2pffA:
7.27
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		4 ASP A 202
LEU A 205
ARG A 392
THR A 146
 None
 1.26A 4p3qA-2pg8A:
undetectable		 4p3qA-2pg8A:
15.95
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) 		4 LEU A  29
ARG A  53
ARG A  58
THR A 115
 MTX  A 200 ( 4.3A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.76A 4p3qA-2qk8A:
25.5		 4p3qA-2qk8A:
40.99
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) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.65A 4p3qA-2w9sA:
26.0		 4p3qA-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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 ASP A  73
LEU A  76
ARG A  40
THR A  68
 None
 1.25A 4p3qA-2ybuA:
undetectable		 4p3qA-2ybuA:
18.26
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		4 ASP A  26
LEU A  27
ARG A  57
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.51A 4p3qA-3dfrA:
24.2		 4p3qA-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.
3efz 14-3-3 PROTEIN

(Cryptosporidium
parvum) 		PF00244
(14-3-3) 		4 LEU A 196
ARG A 231
ARG A 249
THR A 203
 None
 1.47A 4p3qA-3efzA:
undetectable		 4p3qA-3efzA:
21.82
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.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		4 ASP A  64
ARG A 197
ARG A 144
THR A  87
 5RP  A 501 ( 4.8A)
5RP  A 501 (-3.4A)
None
None
 1.26A 4p3qA-3exsA:
undetectable		 4p3qA-3exsA:
18.55
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ASP A 389
LEU A 385
ARG A 380
THR A 391
 None
 1.43A 4p3qA-3gsiA:
undetectable		 4p3qA-3gsiA:
10.92
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) 		4 ASP X  27
LEU X  28
ARG X  57
THR X 111
 N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.4A)
 0.44A 4p3qA-3i8aX:
26.0		 4p3qA-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) 		4 LEU A  29
ARG A  53
ARG A  58
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-3.8A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 1.08A 4p3qA-3ia4A:
28.4		 4p3qA-3ia4A:
55.83
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) 		4 ASP A  28
LEU A  29
ARG A  58
THR A 115
 MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.44A 4p3qA-3tq9A:
25.9		 4p3qA-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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 485
LEU A 483
ARG A 325
THR A  20
 None
 1.48A 4p3qA-3uggA:
undetectable		 4p3qA-3uggA:
14.60
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		4 ASP A  59
ARG A 182
ARG A 447
THR A  49
 None
GDU  A 802 (-3.5A)
FDA  A 600 (-3.9A)
None
 1.40A 4p3qA-3ukfA:
undetectable		 4p3qA-3ukfA:
14.83
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 ASP A 445
LEU A 644
ARG A 416
THR A 449
 None
 1.47A 4p3qA-3wsyA:
undetectable		 4p3qA-3wsyA:
14.22
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 ASP A 326
ARG A 398
ARG A  92
THR A 297
 None
FLC  A1419 (-2.9A)
FLC  A1419 ( 4.0A)
None
 1.27A 4p3qA-3zh4A:
undetectable		 4p3qA-3zh4A:
15.99
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ASP A 283
LEU A 282
ARG A   3
THR A 249
 None
 1.44A 4p3qA-3zzuA:
undetectable		 4p3qA-3zzuA:
13.70
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1033
LEU A1034
ARG A1470
THR A1578
 None
 1.46A 4p3qA-4aygA:
undetectable		 4p3qA-4aygA:
9.21
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ASP B1871
LEU B1873
ARG B1763
THR B1802
 None
 1.38A 4p3qA-4bedB:
undetectable		 4p3qA-4bedB:
7.75
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.
4dfc TRANSCRIPTION-REPAIR
-COUPLING FACTOR
UVRABC SYSTEM
PROTEIN A

(Escherichia
coli;
Escherichia
coli) 		PF14814
(UB2H)
no annotation 		4 LEU A 168
ARG A 193
ARG B 176
THR B 223
 None
 1.22A 4p3qA-4dfcA:
undetectable		 4p3qA-4dfcA:
18.87
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 410
LEU A 405
ARG A  87
THR A 382
 None
 1.37A 4p3qA-4ha6A:
undetectable		 4p3qA-4ha6A:
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 ASP A 545
LEU A 819
ARG A 827
THR A 908
 None
 1.30A 4p3qA-4k0eA:
undetectable		 4p3qA-4k0eA:
8.94
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		4 ASP A 114
LEU A 115
ARG A 122
THR B 142
 None
None
CL  A 402 ( 4.8A)
None
 1.44A 4p3qA-4kpuA:
undetectable		 4p3qA-4kpuA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 ASP A 591
LEU A 590
ARG A 581
THR A 491
 None
 1.25A 4p3qA-4n78A:
undetectable		 4p3qA-4n78A:
8.85
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 LEU B  48
ARG B  78
ARG A 321
THR A 104
 None
 1.33A 4p3qA-4wj3B:
undetectable		 4p3qA-4wj3B:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		4 ASP A 161
LEU A 185
ARG A  54
THR A 163
 None
 1.49A 4p3qA-4ww7A:
undetectable		 4p3qA-4ww7A:
21.96
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 ASP A 116
LEU A 115
ARG A 172
THR A  21
 None
 1.19A 4p3qA-4yf1A:
undetectable		 4p3qA-4yf1A:
23.15
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A1218
LEU A1217
ARG A 752
THR A1170
 None
 1.45A 4p3qA-4zhjA:
undetectable		 4p3qA-4zhjA:
7.43
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		4 LEU A 683
ARG A 118
ARG A 690
THR A 247
 None
 1.42A 4p3qA-5fdnA:
undetectable		 4p3qA-5fdnA:
10.22
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.
5h5m ALPHA-CATENIN-LIKE
PROTEIN HMP-1

(Caenorhabditis
elegans) 		PF01044
(Vinculin) 		4 ASP A 390
LEU A 389
ARG A 320
THR A 393
 None
 1.38A 4p3qA-5h5mA:
undetectable		 4p3qA-5h5mA:
20.71
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.
5hke BILE SALT HYDROLASE

(Lactobacillus
salivarius) 		PF02275
(CBAH) 		4 ASP A  21
LEU A  20
ARG A  16
THR A 264
 None
None
OCS  A   2 ( 4.1A)
None
 1.39A 4p3qA-5hkeA:
undetectable		 4p3qA-5hkeA:
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ASP A 234
LEU A 230
ARG A 218
THR A 267
 None
 1.37A 4p3qA-5hlbA:
undetectable		 4p3qA-5hlbA:
11.57
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.
5iv8 LPS BIOSYNTHESIS
PROTEIN

(Klebsiella
pneumoniae) 		PF04453
(OstA_C) 		4 ASP A 746
ARG A 381
ARG A 309
THR A 236
 None
 1.49A 4p3qA-5iv8A:
undetectable		 4p3qA-5iv8A:
13.99
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.
5ndl CRH-LIKE PROTEIN

(Aspergillus
fumigatus) 		no annotation 4 ASP A 116
LEU A 117
ARG A 203
THR A 198
 None
None
NAG  A 303 ( 4.0A)
None
 1.42A 4p3qA-5ndlA:
undetectable		 4p3qA-5ndlA:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 685
LEU A 686
ARG A1132
THR A1255
 None
 1.47A 4p3qA-5ngyA:
undetectable		 4p3qA-5ngyA:
7.42
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 ASP A 364
LEU A 151
ARG A  26
THR A 367
 None
 1.32A 4p3qA-5nv8A:
undetectable		 4p3qA-5nv8A:
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile;
Clostridioides
difficile) 		no annotation
no annotation 		4 ASP A 103
LEU A 104
ARG A 111
THR B 146
 None
None
CA  A 402 ( 4.0A)
None
 1.33A 4p3qA-5ol2A:
undetectable		 4p3qA-5ol2A:
17.82
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 ASP A 121
ARG A 307
ARG A 294
THR A 127
 None
 1.47A 4p3qA-5u1wA:
undetectable		 4p3qA-5u1wA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 ASP A 104
LEU A 107
ARG A 114
THR A  44
 None
 1.46A 4p3qA-5uenA:
undetectable		 4p3qA-5uenA:
17.03
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 374
LEU A 375
ARG A 525
THR A 390
 None
 1.45A 4p3qA-5xh9A:
undetectable		 4p3qA-5xh9A:
13.10
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 ASP A 360
LEU A 361
ARG A 307
THR A 392
 None
 1.47A 4p3qA-5xxiA:
undetectable		 4p3qA-5xxiA:
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 4 ASP A 473
LEU A 474
ARG A 280
THR A 345
 None
 1.32A 4p3qA-5zu5A:
undetectable		 4p3qA-5zu5A:
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 4 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.72A 4p3qA-6cxmA:
21.9		 4p3qA-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.
6dip NOCTURNIN

(Homo sapiens) 		no annotation 4 ASP A 234
LEU A 155
ARG A 367
ARG A 290
 None
 1.44A 4p3qA-6dipA:
undetectable		 4p3qA-6dipA:
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 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4p3qA-6e4eA:
25.9		 4p3qA-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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 ASP A 111
LEU A 113
ARG A 453
ARG A  34
 None
 1.44A 4p3qA-6eomA:
undetectable		 4p3qA-6eomA:
undetectable