SIMILAR PATTERNS OF AMINO ACIDS FOR 4P3R_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.
1b8h DNA POLYMERASE
PROCESSIVITY
COMPONENT

(Escherichia
virus RB69) 		PF02916
(DNA_PPF)
PF09116
(gp45-slide_C) 		5 ILE A  81
LEU A  57
PHE A  60
LEU A  64
ILE A  73
 None
 0.98A 4p3rA-1b8hA:
undetectable		 4p3rA-1b8hA:
19.65
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ALA A 119
LEU A 163
THR A 145
ILE A 196
ILE A 151
 None
 1.01A 4p3rA-1cvmA:
undetectable		 4p3rA-1cvmA:
18.41
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.
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
 0.42A 4p3rA-1cz3A:
20.1		 4p3rA-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
 0.91A 4p3rA-1ddgA:
undetectable		 4p3rA-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
 0.68A 4p3rA-1dr6A:
21.1		 4p3rA-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
 0.98A 4p3rA-1eayC:
undetectable		 4p3rA-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  89
MET A 126
PHE A 144
LEU A 112
ILE A  90
 None
 0.98A 4p3rA-1fnnA:
undetectable		 4p3rA-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.
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
 1.04A 4p3rA-1i1gA:
undetectable		 4p3rA-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.
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
 1.03A 4p3rA-1juvA:
18.2		 4p3rA-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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 LEU A 397
PHE A 398
ILE A 318
LEU A 314
ILE A 287
 None
 1.01A 4p3rA-1kzhA:
undetectable		 4p3rA-1kzhA:
15.70
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
 0.62A 4p3rA-1u70A:
20.3		 4p3rA-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
 0.52A 4p3rA-1u71A:
20.9		 4p3rA-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 4p3rA-1urjA:
undetectable		 4p3rA-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
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
 0.64A 4p3rA-1zdrA:
25.2		 4p3rA-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) 		6 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.72A 4p3rA-2blbA:
20.6		 4p3rA-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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.46A 4p3rA-2blbA:
20.6		 4p3rA-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
 0.97A 4p3rA-2bv7A:
undetectable		 4p3rA-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
 0.78A 4p3rA-2bzuA:
undetectable		 4p3rA-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.
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
 0.95A 4p3rA-2dkdA:
undetectable		 4p3rA-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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 ILE A 749
LEU A 781
ILE A 802
LEU A 835
ILE A 746
 None
 0.93A 4p3rA-2ec5A:
2.2		 4p3rA-2ec5A:
12.12
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
 0.97A 4p3rA-2g3bA:
undetectable		 4p3rA-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
 0.67A 4p3rA-2h2qA:
19.7		 4p3rA-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.
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
 0.98A 4p3rA-2lp4A:
undetectable		 4p3rA-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
 0.97A 4p3rA-2lv5A:
undetectable		 4p3rA-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
 0.56A 4p3rA-2oipA:
21.6		 4p3rA-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.
2p1r LIPID KINASE YEGS

(Salmonella
enterica) 		PF00781
(DAGK_cat) 		5 ILE A 264
LEU A 268
PHE A 266
ILE A 280
ILE A 258
 None
 1.02A 4p3rA-2p1rA:
undetectable		 4p3rA-2p1rA:
20.06
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
 0.72A 4p3rA-2qk8A:
25.7		 4p3rA-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
 0.95A 4p3rA-2rjqA:
undetectable		 4p3rA-2rjqA:
17.45
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
 0.34A 4p3rA-2w3wA:
25.1		 4p3rA-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) 		8 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.54A 4p3rA-2w9sA:
26.1		 4p3rA-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 4p3rA-3au9A:
undetectable		 4p3rA-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.
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
 0.90A 4p3rA-3b8zA:
undetectable		 4p3rA-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.
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)
 0.56A 4p3rA-3dfrA:
24.4		 4p3rA-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)
 0.67A 4p3rA-3dg8A:
20.8		 4p3rA-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
 0.95A 4p3rA-3dmeA:
undetectable		 4p3rA-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)
 0.84A 4p3rA-3eqzA:
undetectable		 4p3rA-3eqzA:
17.88
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
LEU X  28
THR X  46
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.71A 4p3rA-3i8aX:
26.2		 4p3rA-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
 0.71A 4p3rA-3i8aX:
26.2		 4p3rA-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) 		10 ILE A   6
ALA A   8
MET A  21
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 (-3.3A)
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
 0.49A 4p3rA-3ia4A:
28.6		 4p3rA-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
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 (-3.3A)
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
 0.51A 4p3rA-3ia4A:
28.6		 4p3rA-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.
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
 1.00A 4p3rA-3iwtA:
undetectable		 4p3rA-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) 		7 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
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)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
 0.67A 4p3rA-3ix9A:
25.5		 4p3rA-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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ILE A  14
ALA A  39
MET A  77
LEU A  88
ILE A 129
 None
 1.05A 4p3rA-3k31A:
undetectable		 4p3rA-3k31A:
16.10
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 ALA A 476
LEU A 517
PHE A 474
ILE A 494
LEU A 496
ILE A 427
 None
 1.42A 4p3rA-3k4xA:
undetectable		 4p3rA-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.
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
 1.43A 4p3rA-3k4xA:
undetectable		 4p3rA-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.
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
 0.74A 4p3rA-3kjrA:
21.1		 4p3rA-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.
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
 0.90A 4p3rA-3lorA:
undetectable		 4p3rA-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.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 343
ALA A 345
LEU A 307
LEU A 291
ILE A 284
 None
 1.04A 4p3rA-3n7zA:
undetectable		 4p3rA-3n7zA:
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.
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
 0.27A 4p3rA-3rg9A:
19.9		 4p3rA-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
 0.98A 4p3rA-3s5uA:
undetectable		 4p3rA-3s5uA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A  40
ALA A  59
LEU A 128
LEU A  34
ILE A  72
 None
 1.05A 4p3rA-3sutA:
undetectable		 4p3rA-3sutA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4p3rA-3thwB:
undetectable		 4p3rA-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)
 0.25A 4p3rA-3tq9A:
26.1		 4p3rA-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)
 1.35A 4p3rA-3tq9A:
26.1		 4p3rA-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
 1.29A 4p3rA-3tq9A:
26.1		 4p3rA-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.
3uem PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 ILE A 339
PHE A 275
LYS A 276
ILE A 289
ILE A 257
 None
None
None
D1D  A2815 (-4.2A)
None
 1.04A 4p3rA-3uemA:
undetectable		 4p3rA-3uemA:
18.59
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.
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
 0.36A 4p3rA-3um6A:
20.7		 4p3rA-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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A 152
LYS A 143
THR A 123
ILE A 119
ILE A 126
 None
 1.04A 4p3rA-3uwcA:
undetectable		 4p3rA-3uwcA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ALA A   8
PHE A  32
LYS A  33
ILE A 111
TYR A 117
 None
 0.91A 4p3rA-3vcoA:
18.3		 4p3rA-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
 0.70A 4p3rA-3vcoA:
18.3		 4p3rA-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 4p3rA-4c23A:
undetectable		 4p3rA-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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		6 ALA A 204
LEU A 245
THR A 226
ILE A 263
LEU A 314
ILE A 219
 None
 1.27A 4p3rA-4c2fA:
undetectable		 4p3rA-4c2fA:
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.
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
 1.01A 4p3rA-4cnkA:
undetectable		 4p3rA-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
 1.02A 4p3rA-4dq6A:
undetectable		 4p3rA-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
 0.53A 4p3rA-4g8zX:
20.4		 4p3rA-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
 0.79A 4p3rA-4h96A:
18.1		 4p3rA-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
 0.45A 4p3rA-4h98A:
19.4		 4p3rA-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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		5 ILE A 204
ALA A 208
ILE A 278
LEU A 264
ILE A 201
 None
 1.04A 4p3rA-4lfeA:
undetectable		 4p3rA-4lfeA:
21.09
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.
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
 1.03A 4p3rA-4lg8A:
undetectable		 4p3rA-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) 		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
 0.23A 4p3rA-4m2xA:
23.6		 4p3rA-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)
 0.58A 4p3rA-4m7vA:
11.4		 4p3rA-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)
 0.20A 4p3rA-4m7vA:
11.4		 4p3rA-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
 1.49A 4p3rA-4mdyA:
undetectable		 4p3rA-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)
 1.48A 4p3rA-4p68A:
30.3		 4p3rA-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
MET A  20
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)
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)
MTX  A 201 ( 4.3A)
None
 0.48A 4p3rA-4p68A:
30.3		 4p3rA-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
 0.99A 4p3rA-4r7rA:
undetectable		 4p3rA-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.
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 4p3rA-4y67A:
2.1		 4p3rA-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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 LEU B 273
THR B 258
ILE B 262
LEU B 323
ILE B 281
 None
 1.04A 4p3rA-4ydoB:
undetectable		 4p3rA-4ydoB:
12.27
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		6 ILE A 133
ALA A  38
LEU A  68
LYS A  26
ILE A  84
ILE A  18
 None
 1.41A 4p3rA-4yxmA:
undetectable		 4p3rA-4yxmA:
18.11
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		6 ILE A 181
ALA A 276
MET A 238
LEU A 178
ILE A  13
LEU A  39
 None
 1.21A 4p3rA-4z7yA:
undetectable		 4p3rA-4z7yA:
20.37
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.97A 4p3rA-5a31A:
undetectable		 4p3rA-5a31A:
8.41
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.
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 4p3rA-5cc8A:
undetectable		 4p3rA-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
 1.42A 4p3rA-5dxvA:
17.2		 4p3rA-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
 0.33A 4p3rA-5dxvA:
17.2		 4p3rA-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
 0.72A 4p3rA-5dxvA:
17.2		 4p3rA-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
 0.63A 4p3rA-5fdaA:
19.9		 4p3rA-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
 1.03A 4p3rA-5fefA:
undetectable		 4p3rA-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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		6 ILE A 359
LEU A 413
PHE A 387
ILE A 406
LEU A 401
ILE A 357
 None
 1.18A 4p3rA-5hdhA:
undetectable		 4p3rA-5hdhA:
11.07
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B  80
LEU B  72
ILE B  85
LEU B  93
ILE B 106
 None
 0.99A 4p3rA-5hzlB:
undetectable		 4p3rA-5hzlB:
19.67
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.90A 4p3rA-5lcwA:
undetectable		 4p3rA-5lcwA:
6.11
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 4p3rA-5nprA:
2.5		 4p3rA-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.
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
 1.03A 4p3rA-5nr4A:
undetectable		 4p3rA-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.
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 4p3rA-5szsA:
undetectable		 4p3rA-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
 0.27A 4p3rA-5t0lA:
21.4		 4p3rA-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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 ALA A 225
LEU A 184
ILE A 127
LEU A 118
ILE A 162
 None
 1.03A 4p3rA-5udfA:
undetectable		 4p3rA-5udfA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.52A 4p3rA-6cxmA:
22.0		 4p3rA-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 6 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
 MMV  A 202 (-4.0A)
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)
 0.78A 4p3rA-6cxmA:
22.0		 4p3rA-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
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
 0.57A 4p3rA-6e4eA:
26.1		 4p3rA-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.
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)
 1.02A 4p3rA-6emvA:
undetectable		 4p3rA-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
 0.89A 4p3rA-6ft1A:
undetectable		 4p3rA-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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		3 ASP A  27
ARG A  58
THR A 121
 None
 0.35A 4p3rA-1cz3A:
20.1		 4p3rA-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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma) 		3 ASP C3130
ARG C3082
THR C3074
 None
 0.89A 4p3rA-1e6yC:
undetectable		 4p3rA-1e6yC:
18.85
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		3 ASP A 175
ARG A 243
THR A 552
 None
DHE  A 602 (-3.9A)
None
 0.72A 4p3rA-1gq1A:
undetectable		 4p3rA-1gq1A:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		3 ASP A 101
ARG A 153
THR A 206
 None
 0.85A 4p3rA-1gz0A:
undetectable		 4p3rA-1gz0A:
24.90
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.
1hwn EBULIN

(Sambucus ebulus) 		PF00161
(RIP) 		3 ASP A  92
ARG A  53
THR A 113
 None
 0.83A 4p3rA-1hwnA:
undetectable		 4p3rA-1hwnA:
20.55
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		3 ASP A  87
ARG A 226
THR A 252
 None
 0.88A 4p3rA-1i9gA:
2.6		 4p3rA-1i9gA:
19.03
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		3 ASP A 145
ARG A 292
THR A 148
 None
 0.65A 4p3rA-1mpxA:
undetectable		 4p3rA-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.
1qc5 PROTEIN (ALPHA1
BETA1 INTEGRIN)

(Homo sapiens) 		PF00092
(VWA) 		3 ASP B 340
ARG B 477
THR B 410
 MG  B 602 ( 4.5A)
None
MG  B 602 ( 4.8A)
 0.88A 4p3rA-1qc5B:
undetectable		 4p3rA-1qc5B:
22.77
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.
1qh4 CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASP A  78
ARG A 209
THR A  47
 None
 0.84A 4p3rA-1qh4A:
undetectable		 4p3rA-1qh4A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		3 ASP A  95
ARG A 455
THR A 154
 MRC  A1993 ( 4.7A)
None
None
 0.84A 4p3rA-1qu2A:
undetectable		 4p3rA-1qu2A:
9.91
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.
1r2k MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Escherichia
coli) 		no annotation 3 ASP B  26
ARG B 143
THR B  16
 None
 0.66A 4p3rA-1r2kB:
undetectable		 4p3rA-1r2kB:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		3 ASP A  50
ARG A 231
THR A  95
 None
 0.78A 4p3rA-1rqgA:
2.1		 4p3rA-1rqgA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASP A  77
ARG A 208
THR A  46
 None
 0.84A 4p3rA-1u6rA:
undetectable		 4p3rA-1u6rA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 148
ARG A 125
THR A 317
 None
 0.85A 4p3rA-1vj0A:
3.0		 4p3rA-1vj0A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 ASP A 259
ARG A  68
THR A 226
 GOL  A1651 (-2.8A)
CIT  A1649 ( 2.6A)
None
 0.90A 4p3rA-1w8oA:
undetectable		 4p3rA-1w8oA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdu TRAS1 ORF2P

(Bombyx mori) 		PF14529
(Exo_endo_phos_2) 		3 ASP A 211
ARG A 173
THR A 196
 None
 0.85A 4p3rA-1wduA:
undetectable		 4p3rA-1wduA:
19.70
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.
1y5e MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Bacillus cereus) 		PF00994
(MoCF_biosynth) 		3 ASP A  30
ARG A 148
THR A  20
 None
 0.63A 4p3rA-1y5eA:
undetectable		 4p3rA-1y5eA:
22.40
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.
1z3q THAUMATIN-LIKE
PROTEIN

(Musa acuminata) 		PF00314
(Thaumatin) 		3 ASP A 180
ARG A 169
THR A 184
 None
EDO  A 901 (-4.3A)
None
 0.81A 4p3rA-1z3qA:
undetectable		 4p3rA-1z3qA:
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.
1zca G ALPHA I/12

(Mus musculus) 		PF00503
(G-alpha) 		3 ASP A 297
ARG A 168
THR A 350
 GDP  A 382 (-3.1A)
None
GDP  A 382 (-3.7A)
 0.88A 4p3rA-1zcaA:
undetectable		 4p3rA-1zcaA:
18.08
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) 		3 ASP A  27
ARG A  57
THR A 115
 None
SO4  A3484 (-3.3A)
None
 0.32A 4p3rA-1zdrA:
25.2		 4p3rA-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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		3 ASP A 127
ARG A 176
THR A 158
 None
 0.89A 4p3rA-2azqA:
undetectable		 4p3rA-2azqA:
18.83
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		3 ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.30A 4p3rA-2blbA:
20.6		 4p3rA-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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		3 ASP A   5
ARG A 276
THR A   8
 None
 0.90A 4p3rA-2f6kA:
undetectable		 4p3rA-2f6kA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8t ARGONAUTE PROTEIN

(Aquifex
aeolicus) 		PF02171
(Piwi) 		3 ASP A 577
ARG A 644
THR A 544
 None
 0.86A 4p3rA-2f8tA:
undetectable		 4p3rA-2f8tA:
10.85
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		3 ASP X 129
ARG X  92
THR X 194
 None
 0.90A 4p3rA-2fgqX:
undetectable		 4p3rA-2fgqX:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 ASP A  48
ARG A  94
THR A 178
 None
 0.18A 4p3rA-2h2qA:
19.7		 4p3rA-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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		3 ASP A  11
ARG A  57
THR A  17
 None
 0.86A 4p3rA-2hi0A:
undetectable		 4p3rA-2hi0A:
21.18
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		3 ASP A 375
ARG A 428
THR A 343
 None
 0.81A 4p3rA-2hz7A:
undetectable		 4p3rA-2hz7A:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		3 ASP A  20
ARG A 136
THR A   8
 FMT  A1003 (-3.7A)
None
FMT  A1003 (-4.1A)
 0.72A 4p3rA-2is8A:
undetectable		 4p3rA-2is8A:
21.98
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ASP X 343
ARG X 138
THR X 456
 None
 0.84A 4p3rA-2iv2X:
undetectable		 4p3rA-2iv2X:
12.54
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		3 ASP A 451
ARG A 261
THR A 409
 None
 0.74A 4p3rA-2jgdA:
undetectable		 4p3rA-2jgdA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ASP A  32
ARG A  70
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.23A 4p3rA-2oipA:
21.6		 4p3rA-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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		3 ASP A 660
ARG A 823
THR A 566
 None
 0.50A 4p3rA-2vmfA:
undetectable		 4p3rA-2vmfA:
11.14
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) 		3 ASP A  31
ARG A  64
THR A 121
 VG9  A1168 (-3.0A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.66A 4p3rA-2w3wA:
25.1		 4p3rA-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) 		3 ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.53A 4p3rA-2w9sA:
26.1		 4p3rA-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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 ASP A 195
ARG A 430
THR A 244
 None
 0.72A 4p3rA-2yd0A:
undetectable		 4p3rA-2yd0A:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 ASP A 218
ARG A 160
THR A 269
 None
ZN  A 647 ( 4.3A)
None
 0.71A 4p3rA-2zwsA:
undetectable		 4p3rA-2zwsA:
12.19
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		3 ASP A 257
ARG A 154
THR A 146
 None
 0.89A 4p3rA-3a3iA:
undetectable		 4p3rA-3a3iA:
14.32
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
Thermotoga
maritima;
synthetic
construct) 		PF01425
(Amidase)
PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		3 ASP A 221
ARG C  69
THR A  93
 None
 0.88A 4p3rA-3al0A:
undetectable		 4p3rA-3al0A:
16.03
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		3 ASP A 219
ARG A 102
THR A 221
 EDO  A 275 ( 2.7A)
GOL  A 289 (-2.7A)
EDO  A 274 (-3.0A)
 0.84A 4p3rA-3ch0A:
undetectable		 4p3rA-3ch0A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctp PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Alkaliphilus
metalliredigens) 		PF13377
(Peripla_BP_3) 		3 ASP A 240
ARG A 124
THR A 281
 None
XLF  A 401 (-4.0A)
None
 0.80A 4p3rA-3ctpA:
undetectable		 4p3rA-3ctpA:
19.50
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		3 ASP A  26
ARG A  57
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.34A 4p3rA-3dfrA:
24.4		 4p3rA-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) 		3 ASP A  54
ARG A 122
THR A 185
 RJ6  A 609 (-3.0A)
None
RJ6  A 609 ( 4.5A)
 0.25A 4p3rA-3dg8A:
20.8		 4p3rA-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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		3 ASP A 257
ARG A 200
THR A 298
 None
 0.88A 4p3rA-3e3mA:
2.1		 4p3rA-3e3mA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		3 ASP A 497
ARG A 685
THR A 521
 None
 0.74A 4p3rA-3gitA:
undetectable		 4p3rA-3gitA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		3 ASP A 245
ARG A 112
THR A 251
 None
 0.85A 4p3rA-3gkaA:
undetectable		 4p3rA-3gkaA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		3 ASP M 497
ARG M 685
THR M 521
 None
 0.87A 4p3rA-3i04M:
2.4		 4p3rA-3i04M:
12.12
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) 		3 ASP X  27
ARG X  57
THR X 111
 N22  X 219 (-2.8A)
None
N22  X 219 (-4.4A)
 0.48A 4p3rA-3i8aX:
26.2		 4p3rA-3i8aX:
37.50
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASP A  69
ARG A 199
THR A  42
 None
 0.89A 4p3rA-3ju5A:
undetectable		 4p3rA-3ju5A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ASP A  37
ARG A  83
THR A 144
 None
 0.22A 4p3rA-3kjrA:
21.1		 4p3rA-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.
3mjd OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		PF00156
(Pribosyltran) 		3 ASP A 150
ARG A 203
THR A 163
 None
 0.66A 4p3rA-3mjdA:
undetectable		 4p3rA-3mjdA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3olo TWO-COMPONENT SENSOR
HISTIDINE KINASE

(Nostoc sp. PCC
7120) 		PF00989
(PAS) 		3 ASP A  59
ARG A  71
THR A  80
 None
 0.74A 4p3rA-3oloA:
undetectable		 4p3rA-3oloA:
20.50
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.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		3 ASP A 188
ARG A  89
THR A 216
 None
 0.66A 4p3rA-3oyzA:
undetectable		 4p3rA-3oyzA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		3 ASP A 168
ARG A  58
THR A 171
 None
None
NAD  A 400 (-4.9A)
 0.80A 4p3rA-3qbdA:
2.1		 4p3rA-3qbdA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		3 ASP A  54
ARG A 100
THR A 184
 WRA  A 602 (-2.9A)
None
WRA  A 602 (-4.2A)
 0.29A 4p3rA-3rg9A:
19.8		 4p3rA-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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		3 ASP A 125
ARG A 117
THR A  75
 None
 0.39A 4p3rA-3rpdA:
undetectable		 4p3rA-3rpdA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon) 		PF02240
(MCR_gamma) 		3 ASP C 129
ARG C  81
THR C  73
 GOL  C 281 ( 4.6A)
None
None
 0.88A 4p3rA-3sqgC:
undetectable		 4p3rA-3sqgC:
19.22
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		3 ASP A 600
ARG A 677
THR A 357
 None
ACP  A1001 (-3.3A)
None
 0.64A 4p3rA-3tlmA:
undetectable		 4p3rA-3tlmA:
9.92
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) 		3 ASP A  28
ARG A  58
THR A 115
 MTX  A2001 (-2.7A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.27A 4p3rA-3tq9A:
26.1		 4p3rA-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) 		3 ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.26A 4p3rA-3um6A:
20.7		 4p3rA-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) 		3 ASP A  28
ARG A  67
THR A 133
 None
 0.18A 4p3rA-3vcoA:
18.3		 4p3rA-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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		3 ASP A 303
ARG A 344
THR A 227
 None
 0.85A 4p3rA-3w53A:
undetectable		 4p3rA-3w53A:
14.31
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		3 ASP A 326
ARG A  92
THR A 297
 None
FLC  A1419 ( 4.0A)
None
 0.74A 4p3rA-3zh4A:
undetectable		 4p3rA-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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		3 ASP A  95
ARG A 102
THR A  48
 None
 0.71A 4p3rA-4binA:
undetectable		 4p3rA-4binA:
16.30
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		3 ASP A 545
ARG A 748
THR A 653
 None
 0.87A 4p3rA-4ckbA:
undetectable		 4p3rA-4ckbA:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dbg RANBP-TYPE AND
C3HC4-TYPE ZINC
FINGER-CONTAINING
PROTEIN 1
RING FINGER PROTEIN
31

(Homo sapiens;
Homo sapiens) 		no annotation
PF16678
(HOIP-UBA) 		3 ASP A  91
ARG A  76
THR B 610
 None
 0.88A 4p3rA-4dbgA:
undetectable		 4p3rA-4dbgA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 ASP A 873
ARG A 847
THR A 875
 None
 0.79A 4p3rA-4gl9A:
undetectable		 4p3rA-4gl9A:
19.59
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		3 ASP A 209
ARG A  32
THR A 225
 None
 0.70A 4p3rA-4j9uA:
undetectable		 4p3rA-4j9uA:
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.
4kbm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycobacterium
tuberculosis) 		PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1) 		3 ASP A 259
ARG A 224
THR A 229
 None
 0.81A 4p3rA-4kbmA:
undetectable		 4p3rA-4kbmA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		3 ASP B  37
ARG B 284
THR B 301
 None
 0.86A 4p3rA-4lrsB:
3.5		 4p3rA-4lrsB:
21.23
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		3 ASP A 195
ARG A 231
THR A 215
 None
 0.85A 4p3rA-4lu6A:
undetectable		 4p3rA-4lu6A:
14.91
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) 		3 ASP A  27
ARG A  60
THR A 113
 TMQ  A 202 ( 2.7A)
None
TMQ  A 202 (-4.2A)
 0.40A 4p3rA-4m2xA:
23.6		 4p3rA-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) 		3 ASP A  27
ARG A  58
THR A 116
 RAR  A 200 (-2.6A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.52A 4p3rA-4m7vA:
11.4		 4p3rA-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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		3 ASP A 235
ARG A 304
THR A 178
 CA  A 401 (-2.2A)
SO4  A 411 (-2.6A)
None
 0.79A 4p3rA-4o6mA:
undetectable		 4p3rA-4o6mA:
18.38
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) 		3 ASP A  27
ARG A  57
THR A 113
 MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.28A 4p3rA-4p68A:
30.3		 4p3rA-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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		3 ASP A  48
ARG A  60
THR A  89
 None
 0.67A 4p3rA-4uy6A:
2.0		 4p3rA-4uy6A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 ASP A 317
ARG A 257
THR A 397
 None
ZN  A 801 ( 4.5A)
None
 0.71A 4p3rA-4wgkA:
undetectable		 4p3rA-4wgkA:
13.41
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		3 ASP A 361
ARG A 710
THR A 408
 None
 0.89A 4p3rA-5bs5A:
undetectable		 4p3rA-5bs5A:
18.23
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		3 ASP A 696
ARG A   6
THR A 712
 None
 0.87A 4p3rA-5h1kA:
undetectable		 4p3rA-5h1kA:
12.90
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 ASP A 870
ARG A 482
THR A 873
 None
 0.86A 4p3rA-5hjrA:
undetectable		 4p3rA-5hjrA:
11.20
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		3 ASP A 596
ARG A  86
THR A 199
 None
 0.87A 4p3rA-5ivaA:
undetectable		 4p3rA-5ivaA:
13.75
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 ASP A 451
ARG A 273
THR A 455
 None
 0.79A 4p3rA-5jo7A:
undetectable		 4p3rA-5jo7A:
16.97
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.
5kiv PROTEIN-ADP-RIBOSE
HYDROLASE

(Staphylococcus
aureus) 		PF01661
(Macro) 		3 ASP A  93
ARG A  42
THR A  96
 None
 0.83A 4p3rA-5kivA:
undetectable		 4p3rA-5kivA:
21.40
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.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		3 ASP A  69
ARG A  33
THR A  67
 NA  A 505 ( 3.0A)
None
NA  A 505 (-2.9A)
 0.87A 4p3rA-5mb4A:
undetectable		 4p3rA-5mb4A:
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.
5n6r BREAKPOINT CLUSTER
REGION PROTEIN

(Homo sapiens) 		no annotation 3 ASP A 670
ARG A 567
THR A 664
 None
 0.90A 4p3rA-5n6rA:
undetectable		 4p3rA-5n6rA:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 3 ASP A  80
ARG A 267
THR A 124
 MN  A 401 ( 2.6A)
PG4  A 403 ( 3.6A)
None
 0.78A 4p3rA-5o25A:
undetectable		 4p3rA-5o25A:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ASP A  31
ARG A  97
THR A 172
 73X  A 704 (-2.8A)
None
73X  A 704 (-4.2A)
 0.22A 4p3rA-5t0lA:
21.4		 4p3rA-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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		3 ASP A 263
ARG A 272
THR A 147
 None
 0.72A 4p3rA-5usfA:
undetectable		 4p3rA-5usfA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5via PSEUDOPEROXIDASE

(Leishmania
major) 		PF00141
(peroxidase) 		3 ASP A 104
ARG A 252
THR A 265
 None
 0.77A 4p3rA-5viaA:
undetectable		 4p3rA-5viaA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 3 ASP A 489
ARG A 394
THR A 312
 None
 0.58A 4p3rA-5yfbA:
undetectable		 4p3rA-5yfbA:
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.
5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20

(Homo sapiens) 		no annotation 3 ASP A  59
ARG A  80
THR A  62
 None
 0.84A 4p3rA-5z4iA:
undetectable		 4p3rA-5z4iA:
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus) 		no annotation 3 ASP A 281
ARG A 247
THR A 265
 None
 0.85A 4p3rA-5zm4A:
undetectable		 4p3rA-5zm4A:
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.
6bgd GLUCOSE/GALACTOSE-BI
NDING LIPOPROTEIN

(Treponema
pallidum) 		no annotation 3 ASP A 173
ARG A 285
THR A 212
 None
 0.85A 4p3rA-6bgdA:
undetectable		 4p3rA-6bgdA:
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 ASP H 320
ARG H 365
THR H 268
 MG  H 903 (-3.1A)
None
MG  H 903 ( 3.5A)
 0.87A 4p3rA-6chsH:
undetectable		 4p3rA-6chsH:
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 3 ASP A 397
ARG A 403
THR A 307
 None
None
SO4  A 503 (-4.6A)
 0.71A 4p3rA-6cxdA:
undetectable		 4p3rA-6cxdA:
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 3 ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.36A 4p3rA-6cxmA:
22.0		 4p3rA-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 3 ASP A  27
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
None
MMV  A 202 (-4.3A)
 0.43A 4p3rA-6e4eA:
26.1		 4p3rA-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.
6enz ACIDIC AMINO ACID
DECARBOXYLASE GADL1

(Mus musculus) 		no annotation 3 ASP A 107
ARG A 392
THR A 377
 None
 0.79A 4p3rA-6enzA:
undetectable		 4p3rA-6enzA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 3 ASP A1252
ARG A 506
THR A  34
 None
 0.87A 4p3rA-6eojA:
undetectable		 4p3rA-6eojA:
8.67
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 3 ASP A  76
ARG A  43
THR A  64
 None
 0.90A 4p3rA-6f91A:
undetectable		 4p3rA-6f91A:
undetectable