SIMILAR PATTERNS OF AMINO ACIDS FOR 1RA8_A_FOLA161_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 1ra8A-1b8hA:
undetectable		 1ra8A-1b8hA:
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  31
THR A  47
ILE A  51
ARG A  53
LEU A  55
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
None
 0.74A 1ra8A-1cz3A:
20.3		 1ra8A-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
 0.89A 1ra8A-1ddgA:
undetectable		 1ra8A-1ddgA:
19.73
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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.56A 1ra8A-1dr6A:
20.2		 1ra8A-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
 0.99A 1ra8A-1i1gA:
undetectable		 1ra8A-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) 		5 LEU A  37
PHE A  40
THR A  55
LEU A  63
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
 0.94A 1ra8A-1juvA:
17.0		 1ra8A-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.
1npm NEUROPSIN

(Mus musculus) 		PF00089
(Trypsin) 		5 THR A 235
ILE A 238
LEU A  53
ILE A 231
THR A 177
 None
 0.95A 1ra8A-1npmA:
undetectable		 1ra8A-1npmA:
21.15
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		5 ALA A 151
THR A  78
ARG A 136
ILE A 174
THR A 150
 None
 0.99A 1ra8A-1q0uA:
undetectable		 1ra8A-1q0uA:
20.00
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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 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
MTX  A 187 (-4.4A)
 0.48A 1ra8A-1u70A:
19.8		 1ra8A-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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 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
MXA  A 187 (-4.3A)
 0.45A 1ra8A-1u71A:
19.8		 1ra8A-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
 0.91A 1ra8A-1urjA:
undetectable		 1ra8A-1urjA:
8.52
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
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.52A 1ra8A-1zdrA:
24.3		 1ra8A-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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		6 ILE A 205
PHE A  98
ILE A 119
LEU A 141
ILE A 202
THR A 286
 None
 1.45A 1ra8A-2bdwA:
undetectable		 1ra8A-2bdwA:
18.21
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.
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
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1ra8A-2blbA:
19.5		 1ra8A-2blbA:
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.
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
 0.89A 1ra8A-2bv7A:
undetectable		 1ra8A-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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A 339
PHE A 327
ILE A 404
LEU A 421
ILE A 382
 None
 0.92A 1ra8A-2dkdA:
undetectable		 1ra8A-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
 0.86A 1ra8A-2ec5A:
2.1		 1ra8A-2ec5A:
11.85
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.
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
 0.98A 1ra8A-2g3bA:
undetectable		 1ra8A-2g3bA:
24.19
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.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 188
THR A 271
ILE A 267
ARG A 263
THR A 153
 None
 0.92A 1ra8A-2gcaA:
2.7		 1ra8A-2gcaA:
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.
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
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.53A 1ra8A-2h2qA:
18.8		 1ra8A-2h2qA:
18.84
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.
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
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.32A 1ra8A-2h2qA:
18.8		 1ra8A-2h2qA:
18.84
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.
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
 1.45A 1ra8A-2kbfA:
undetectable		 1ra8A-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
 0.96A 1ra8A-2lv5A:
undetectable		 1ra8A-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) 		8 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 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
MTX  A 605 ( 4.2A)
 0.49A 1ra8A-2oipA:
20.3		 1ra8A-2oipA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		6 ILE A 545
ALA A 593
PHE A 580
LEU A 603
ILE A 544
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
None
PCG  A 401 (-2.9A)
 1.24A 1ra8A-2q0aA:
undetectable		 1ra8A-2q0aA:
23.38
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) 		7 ALA A   8
LEU A  29
ILE A  51
ARG A  53
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.62A 1ra8A-2qk8A:
24.1		 1ra8A-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
 0.92A 1ra8A-2rjqA:
undetectable		 1ra8A-2rjqA:
17.71
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) 		8 ALA A  11
LEU A  32
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
THR A 121
 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
VG9  A1168 ( 4.7A)
 0.32A 1ra8A-2w3wA:
23.5		 1ra8A-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
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.42A 1ra8A-2w9sA:
24.6		 1ra8A-2w9sA:
38.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.87A 1ra8A-3b8zA:
undetectable		 1ra8A-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.
3bhh CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II BETA
CHAIN

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A 206
PHE A  99
ILE A 120
LEU A 142
ILE A 203
THR A 287
 None
 1.47A 1ra8A-3bhhA:
undetectable		 1ra8A-3bhhA:
21.33
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  27
PHE A  30
THR A  45
LEU A  54
THR A 116
 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)
MTX  A 164 ( 4.3A)
 0.55A 1ra8A-3dfrA:
22.8		 1ra8A-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) 		7 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 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)
RJ6  A 609 ( 4.5A)
 0.56A 1ra8A-3dg8A:
19.8		 1ra8A-3dg8A:
22.70
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.
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 1ra8A-3dmeA:
undetectable		 1ra8A-3dmeA:
18.31
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 ALA A  56
THR A 440
ILE A  42
ARG A  39
LEU A  87
 None
 0.97A 1ra8A-3eqaA:
undetectable		 1ra8A-3eqaA:
15.21
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.
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)
 0.88A 1ra8A-3eqzA:
undetectable		 1ra8A-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) 		7 ALA X   7
LEU X  28
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.69A 1ra8A-3i8aX:
24.8		 1ra8A-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) 		6 ALA A   7
PHE A  32
ILE A  51
ARG A  53
LEU A  55
ILE A  41
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
 1.44A 1ra8A-3ia4A:
27.1		 1ra8A-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
THR A  47
ILE A  51
ARG A  53
LEU A  55
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
 1.34A 1ra8A-3ia4A:
27.1		 1ra8A-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) 		11 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
ARG A  53
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.53A 1ra8A-3ia4A:
27.1		 1ra8A-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 LEU A  29
PHE A  32
ILE A  51
ARG A  53
LEU A  55
ILE A  41
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
 1.43A 1ra8A-3ia4A:
27.1		 1ra8A-3ia4A:
55.83
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) 		5 ALA A  10
THR A  49
ARG A  56
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 (-3.4A)
None
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.98A 1ra8A-3ix9A:
23.8		 1ra8A-3ix9A:
35.26
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
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.67A 1ra8A-3ix9A:
23.8		 1ra8A-3ix9A:
35.26
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.
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
 1.38A 1ra8A-3k4xA:
undetectable		 1ra8A-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
 1.38A 1ra8A-3k4xA:
undetectable		 1ra8A-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) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.58A 1ra8A-3kjrA:
20.4		 1ra8A-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 1ra8A-3lorA:
undetectable		 1ra8A-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.
3n3w RIBONUCLEASE III

(Campylobacter
jejuni) 		PF14622
(Ribonucleas_3_3) 		6 ALA A  24
LEU A   7
ILE A 134
ARG A 137
LEU A 138
ILE A 119
 None
 1.39A 1ra8A-3n3wA:
undetectable		 1ra8A-3n3wA:
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.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		6 ILE A 146
ALA A 194
PHE A 181
LEU A 204
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
None
CMP  A 250 (-2.9A)
 1.22A 1ra8A-3ogjA:
undetectable		 1ra8A-3ogjA:
20.59
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.35A 1ra8A-3rg9A:
18.9		 1ra8A-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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		6 ILE A 130
ALA A 178
PHE A 165
LEU A 188
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
None
CMP  A 401 (-2.8A)
 1.37A 1ra8A-3shrA:
undetectable		 1ra8A-3shrA:
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.72A 1ra8A-3shrA:
undetectable		 1ra8A-3shrA:
19.26
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
THR A  47
ILE A  51
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.34A 1ra8A-3tq9A:
24.4		 1ra8A-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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.82A 1ra8A-3u3gD:
undetectable		 1ra8A-3u3gD:
20.92
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.37A 1ra8A-3um6A:
19.8		 1ra8A-3um6A:
13.05
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.77A 1ra8A-3um6A:
19.8		 1ra8A-3um6A:
13.05
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.62A 1ra8A-3vcoA:
18.5		 1ra8A-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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 6 ILE B 170
LEU B 249
PHE B 171
LEU B 242
ILE B 193
THR B 138
 None
 1.11A 1ra8A-3wlxB:
2.3		 1ra8A-3wlxB:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
 None
 0.91A 1ra8A-4bruA:
undetectable		 1ra8A-4bruA:
18.51
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.
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
 0.91A 1ra8A-4c23A:
undetectable		 1ra8A-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) 		5 ALA A 204
LEU A 245
ILE A 263
LEU A 314
ILE A 219
 None
 0.87A 1ra8A-4c2fA:
undetectable		 1ra8A-4c2fA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		6 ILE A 329
ALA A 379
PHE A 366
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
None
PCG  A1423 (-3.0A)
 1.17A 1ra8A-4d7sA:
undetectable		 1ra8A-4d7sA:
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.
4dq6 PUTATIVE PYRIDOXAL
PHOSPHATE-DEPENDENT
TRANSFERASE

(Clostridioides
difficile) 		PF00155
(Aminotran_1_2) 		5 ILE A 387
PHE A 329
ILE A 367
LEU A 351
ILE A 383
 None
 0.93A 1ra8A-4dq6A:
undetectable		 1ra8A-4dq6A:
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.
4fay MICROCOMPARTMENTS
PROTEIN

(Lactobacillus
reuteri) 		PF00936
(BMC) 		6 ILE A  94
ALA A  63
LEU A 112
THR A  71
ARG A 105
ILE A  96
 None
 1.37A 1ra8A-4fayA:
undetectable		 1ra8A-4fayA:
20.83
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) 		9 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 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
TOP  X 301 (-4.5A)
 0.46A 1ra8A-4g8zX:
19.3		 1ra8A-4g8zX:
30.54
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 ILE A  23
LEU A 175
THR A  54
LEU A 128
ILE A  22
 None
 0.97A 1ra8A-4giwA:
undetectable		 1ra8A-4giwA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.60A 1ra8A-4h96A:
17.4		 1ra8A-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
ILE A 121
TYR A 127
THR A 140
 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
14Q  A 302 (-4.2A)
 0.39A 1ra8A-4h98A:
18.0		 1ra8A-4h98A:
27.23
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
ILE A  94
TYR A 100
THR A 113
 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
TMQ  A 202 (-4.2A)
 0.31A 1ra8A-4m2xA:
21.6		 1ra8A-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) 		6 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  55
THR A 116
 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)
RAR  A 200 (-4.4A)
 0.62A 1ra8A-4m7vA:
23.2		 1ra8A-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) 		6 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
THR A 116
 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)
RAR  A 200 (-4.4A)
 0.30A 1ra8A-4m7vA:
23.2		 1ra8A-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
 1.38A 1ra8A-4mdyA:
undetectable		 1ra8A-4mdyA:
20.82
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.
4ndk E23P-YFP, GFP-LIKE
FLUORESCENT
CHROMOPROTEIN FP506,
RELATED, CHIMERIC
CONSTRUCT,

(Eimeria
acervulina;
Aequorea
victoria) 		PF00046
(Homeobox)
PF01353
(GFP) 		6 ALA A 163
LEU A 117
ILE A  67
LEU A  95
TYR A 145
THR A 161
 None
CR2  A 118 ( 4.1A)
None
None
None
None
 1.42A 1ra8A-4ndkA:
undetectable		 1ra8A-4ndkA:
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.
4ofg CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 446
ALA A 494
PHE A 481
ILE A 445
THR A 493
 PCG  A 601 ( 4.4A)
PCG  A 601 (-3.9A)
None
None
PCG  A 601 (-2.7A)
 0.97A 1ra8A-4ofgA:
undetectable		 1ra8A-4ofgA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
TRP A  30
PHE A  31
THR A  46
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
None
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.29A 1ra8A-4p68A:
29.2		 1ra8A-4p68A:
97.48
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.92A 1ra8A-4qx5A:
undetectable		 1ra8A-4qx5A:
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.
4xsq VARIABLE LYMPHOCYTE
RECEPTOR-LIKE
PROTEIN BF66946

(Branchiostoma
floridae) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A  51
LEU A 100
ILE A  68
LEU A  84
ILE A  47
 None
 0.96A 1ra8A-4xsqA:
undetectable		 1ra8A-4xsqA:
23.47
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.
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 1ra8A-4y67A:
undetectable		 1ra8A-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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.90A 1ra8A-5a31A:
undetectable		 1ra8A-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
 0.88A 1ra8A-5cc8A:
undetectable		 1ra8A-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
 1.38A 1ra8A-5dxvA:
17.6		 1ra8A-5dxvA:
69.66
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
ILE A 111
TYR A 117
THR A 130
 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
CME  A 140 ( 4.5A)
 0.35A 1ra8A-5dxvA:
17.6		 1ra8A-5dxvA:
69.66
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) 		8 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 1ra8A-5dxvA:
17.6		 1ra8A-5dxvA:
69.66
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
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.90A 1ra8A-5ecxA:
23.2		 1ra8A-5ecxA:
30.06
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
TYR A 101
THR A 114
 None
 0.48A 1ra8A-5fdaA:
19.9		 1ra8A-5fdaA:
80.00
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) 		5 ILE A   6
THR A  47
ILE A  51
ARG A  53
LEU A  55
 None
 0.84A 1ra8A-5fdaA:
19.9		 1ra8A-5fdaA:
80.00
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.
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
 1.10A 1ra8A-5hdhA:
undetectable		 1ra8A-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.
5ig1 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF00069
(Pkinase) 		6 ILE A 209
PHE A 103
ILE A 124
LEU A 146
ILE A 206
THR A 289
 None
 1.39A 1ra8A-5ig1A:
undetectable		 1ra8A-5ig1A:
18.31
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.
5j48 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
 0.97A 1ra8A-5j48A:
undetectable		 1ra8A-5j48A:
21.88
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
LEU A 101
LEU A  55
ILE A 129
THR A 140
 None
 0.95A 1ra8A-5jjuA:
undetectable		 1ra8A-5jjuA:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.84A 1ra8A-5lcwA:
undetectable		 1ra8A-5lcwA:
6.17
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.
5nr4 CLIP-ASSOCIATING
PROTEIN 2

(Homo sapiens) 		no annotation 6 ILE A 189
ALA A 187
PHE A 177
ILE A 170
LEU A 207
ILE A 192
 None
 1.46A 1ra8A-5nr4A:
undetectable		 1ra8A-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
 0.98A 1ra8A-5szsA:
undetectable		 1ra8A-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) 		6 ALA A  10
PHE A  35
THR A  83
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.27A 1ra8A-5t0lA:
20.5		 1ra8A-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 ILE A 162
PHE A 201
ARG A 230
LEU A 228
ILE A 220
 None
 0.97A 1ra8A-5udfA:
undetectable		 1ra8A-5udfA:
21.21
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 1ra8A-6cxmA:
20.5		 1ra8A-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 7 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
THR A 111
 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)
MMV  A 202 (-4.4A)
 0.78A 1ra8A-6cxmA:
20.5		 1ra8A-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 6 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 1ra8A-6e4eA:
24.7		 1ra8A-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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ALA A  56
THR A 440
ILE A  42
ARG A  39
LEU A  87
 None
 0.98A 1ra8A-6frvA:
undetectable		 1ra8A-6frvA:
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
 0.91A 1ra8A-6ft1A:
undetectable		 1ra8A-6ft1A:
undetectable