SIMILAR PATTERNS OF AMINO ACIDS FOR 4PSY_A_FOLA201

List of similar pattern of amino acids derived from ASSAM search

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

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

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  31
ILE A  51
LEU A  55
THR A 121
 None
 0.45A 4psyA-1cz3A:
20.2		 4psyA-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 4psyA-1ddgA:
undetectable		 4psyA-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
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)
None
None
None
HBI  A 198 ( 4.5A)
 0.72A 4psyA-1dr6A:
21.1		 4psyA-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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 ILE A 109
ALA A  94
ALA A  50
ILE A 168
THR A  98
 None
 1.05A 4psyA-1fnzA:
undetectable		 4psyA-1fnzA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.94A 4psyA-1hdiA:
undetectable		 4psyA-1hdiA:
14.57
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 ALA A 202
LEU A  67
ALA A  66
LYS A  69
LEU A  99
 None
 1.02A 4psyA-1iugA:
undetectable		 4psyA-1iugA:
18.98
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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 231
ALA A 177
LEU A  95
ALA A  92
ILE A 119
 None
 1.05A 4psyA-1qp8A:
undetectable		 4psyA-1qp8A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		5 ILE A 493
ALA A 460
PHE A 464
LEU A 443
THR A 325
 None
 0.90A 4psyA-1rh1A:
undetectable		 4psyA-1rh1A:
15.29
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.
1s3d ARSENATE REDUCTASE

(Escherichia
coli) 		PF03960
(ArsC) 		5 ILE A  53
LEU A  59
ALA A  60
ILE A  82
LEU A  44
 None
 1.02A 4psyA-1s3dA:
undetectable		 4psyA-1s3dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sny SNIFFER CG10964-PA

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 LEU A 177
ALA A 176
ILE A 149
LEU A 184
TYR A  68
 None
 0.89A 4psyA-1snyA:
undetectable		 4psyA-1snyA:
19.70
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
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)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.64A 4psyA-1u70A:
20.2		 4psyA-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
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)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.52A 4psyA-1u71A:
20.8		 4psyA-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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ILE A 136
LEU A 500
ALA A 501
ILE A 466
LEU A 493
 None
 0.98A 4psyA-1vkoA:
undetectable		 4psyA-1vkoA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.95A 4psyA-1vpeA:
undetectable		 4psyA-1vpeA:
17.47
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		5 ILE A1093
LEU A1127
ILE A1080
LEU A1100
THR A1086
 None
 1.04A 4psyA-1xv5A:
2.0		 4psyA-1xv5A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzg ADP-RIBOSYLATION
FACTOR-LIKE 8

(Homo sapiens) 		PF00025
(Arf) 		5 ILE A  67
LEU A  99
ALA A 100
LYS A 103
ILE A 122
 None
 0.94A 4psyA-1yzgA:
undetectable		 4psyA-1yzgA:
21.99
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
ALA A  29
PHE A  31
LYS A  32
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.48A 4psyA-1zdrA:
25.3		 4psyA-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
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 (-4.1A)
 0.69A 4psyA-2blbA:
20.6		 4psyA-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
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.41A 4psyA-2blbA:
20.6		 4psyA-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ILE A 395
ALA A 410
ALA A 382
PHE A 384
LYS A 385
 None
 0.88A 4psyA-2g3nA:
undetectable		 4psyA-2g3nA:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gnx HYPOTHETICAL PROTEIN

(Mus musculus) 		PF09404
(DUF2003) 		5 ALA A 200
LEU A 266
ALA A 267
PHE A 269
LEU A 277
 None
 1.02A 4psyA-2gnxA:
undetectable		 4psyA-2gnxA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
PHE A  52
ILE A  84
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.68A 4psyA-2h2qA:
19.9		 4psyA-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.
2jr5 UPF0350 PROTEIN
VC_2471

(Vibrio cholerae) 		PF03937
(Sdh5) 		6 ILE A  10
ALA A  13
LEU A  47
ALA A  46
PHE A  44
ILE A  77
 None
 1.31A 4psyA-2jr5A:
undetectable		 4psyA-2jr5A:
22.37
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.
2k77 NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF02861
(Clp_N) 		5 ILE A  60
LEU A  53
ALA A  52
ILE A 113
LEU A 109
 None
 0.99A 4psyA-2k77A:
undetectable		 4psyA-2k77A:
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.
2ngr PROTEIN (GTPASE
ACTIVATING PROTEIN
(RHG))

(Homo sapiens) 		PF00620
(RhoGAP) 		5 ALA B 305
LEU B 415
ALA B 416
PHE B 419
LEU B 394
 None
 1.02A 4psyA-2ngrB:
undetectable		 4psyA-2ngrB:
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.
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
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)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.56A 4psyA-2oipA:
21.6		 4psyA-2oipA:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
TYR A 102
THR A 115
 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
MTX  A 200 ( 4.4A)
 0.57A 4psyA-2qk8A:
25.7		 4psyA-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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 0.97A 4psyA-2uy3A:
undetectable		 4psyA-2uy3A:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  32
PHE A  35
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.31A 4psyA-2w3wA:
25.0		 4psyA-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.37A 4psyA-2w9sA:
26.0		 4psyA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.64A 4psyA-2w9sA:
26.0		 4psyA-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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ILE A  56
ALA A 222
ALA A 190
ILE A 117
LEU A 113
 None
 0.99A 4psyA-2wyaA:
undetectable		 4psyA-2wyaA:
15.49
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.
2xl4 LMO0438 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ILE A 118
LEU A  64
ALA A  65
LYS A  68
LEU A 191
 None
 0.81A 4psyA-2xl4A:
undetectable		 4psyA-2xl4A:
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.
3bcq BETA-CHAIN
HEMOGLOBIN

(Brycon cephalus) 		PF00042
(Globin) 		5 ILE B  75
LEU B  14
ALA B  10
ILE B 110
LEU B 135
 None
 1.01A 4psyA-3bcqB:
undetectable		 4psyA-3bcqB:
21.64
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.
3c01 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS
SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Salmonella
enterica;
Salmonella
enterica) 		PF01312
(Bac_export_2)
PF01312
(Bac_export_2) 		5 ILE E 278
LEU E 307
ALA E 308
LEU A 254
THR E 314
 None
 0.97A 4psyA-3c01E:
undetectable		 4psyA-3c01E:
21.47
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 551
ALA A 851
LEU A 837
ALA A 838
LEU A 522
 None
 0.99A 4psyA-3c10A:
undetectable		 4psyA-3c10A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
PHE A  30
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.55A 4psyA-3dfrA:
24.4		 4psyA-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)
 0.64A 4psyA-3dg8A:
20.7		 4psyA-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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 LEU C  62
ALA C  63
PHE C  61
ILE J   2
TYR B 774
 None
 0.83A 4psyA-3h0gC:
undetectable		 4psyA-3h0gC:
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A   5
ALA A  17
ALA A  10
ILE A 144
LEU A 100
 None
 0.98A 4psyA-3hn2A:
undetectable		 4psyA-3hn2A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A 450
ALA A 453
ALA A 517
LYS A 470
ILE A 487
 None
 1.02A 4psyA-3hn8A:
undetectable		 4psyA-3hn8A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  28
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.67A 4psyA-3i8aX:
26.2		 4psyA-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
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.60A 4psyA-3i8aX:
26.2		 4psyA-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
ILE A  51
LEU A  55
TYR A 102
THR A 115
 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)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.54A 4psyA-3ia4A:
28.7		 4psyA-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) 		7 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
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)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.58A 4psyA-3ix9A:
25.5		 4psyA-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.
3jaf GLYCINE RECEPTOR
SUBUNIT ALPHAZ1

(Danio rerio) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE A 169
LEU A 211
ILE A  59
LEU A 172
TYR A  74
 None
 1.06A 4psyA-3jafA:
undetectable		 4psyA-3jafA:
15.91
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 1.06A 4psyA-3kaoA:
undetectable		 4psyA-3kaoA:
19.27
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.
3kh9 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Pseudomonas
aeruginosa) 		PF08534
(Redoxin) 		5 ALA A  65
ALA A  58
PHE A  40
ILE A  97
LEU A 128
 None
 1.00A 4psyA-3kh9A:
undetectable		 4psyA-3kh9A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.71A 4psyA-3kjrA:
21.1		 4psyA-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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
 None
 1.02A 4psyA-3nyiA:
undetectable		 4psyA-3nyiA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU A  61
ALA A  58
PHE A  57
ILE A 180
LEU A 147
 None
 1.04A 4psyA-3r0zA:
undetectable		 4psyA-3r0zA:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
PHE A  58
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
WRA  A 602 (-4.2A)
 0.29A 4psyA-3rg9A:
20.0		 4psyA-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.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 ALA A 130
LEU A  74
ALA A  47
ILE A  86
THR A 126
 None
None
NAP  A 268 (-3.6A)
None
NAP  A 268 ( 3.8A)
 0.91A 4psyA-3rkuA:
undetectable		 4psyA-3rkuA:
21.92
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
 0.97A 4psyA-3s5uA:
undetectable		 4psyA-3s5uA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
LEU A  29
ALA A  30
PHE A  32
LYS A  33
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 ( 4.8A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.34A 4psyA-3tq9A:
26.0		 4psyA-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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ILE A 280
ALA A 350
LEU A 377
ALA A 378
ILE A 338
 None
 0.83A 4psyA-3uhjA:
undetectable		 4psyA-3uhjA:
20.19
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.41A 4psyA-3um6A:
20.6		 4psyA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
LYS A  33
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
 0.95A 4psyA-3vcoA:
18.4		 4psyA-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.
3w0k BIFUNCTIONAL
ENDOMANNANASE/ENDOGL
UCANASE

(Caldanaerobius
polysaccharolyticus) 		PF00150
(Cellulase) 		5 LEU A  31
ALA A  32
PHE A  30
ILE A 299
LEU A 322
 None
 0.95A 4psyA-3w0kA:
undetectable		 4psyA-3w0kA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bj1 PROTEIN RIF2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 368
LEU A 324
ALA A 325
PHE A 327
LEU A 341
 None
 1.03A 4psyA-4bj1A:
undetectable		 4psyA-4bj1A:
19.08
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 685
ALA A 984
LEU A 970
ALA A 971
LEU A 656
 None
 1.03A 4psyA-4cbyA:
undetectable		 4psyA-4cbyA:
16.41
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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		5 ALA A 182
ALA A  65
PHE A  63
ILE A  59
LEU A  74
 None
 1.06A 4psyA-4ccsA:
undetectable		 4psyA-4ccsA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cih LISTERIA NUCLEAR
TARGETED PROTEIN A

(Listeria
monocytogenes) 		no annotation 5 ILE A 118
LEU A  64
ALA A  65
LYS A  68
LEU A 191
 None
 0.88A 4psyA-4cihA:
undetectable		 4psyA-4cihA:
20.36
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 ILE A 235
ALA A 307
PHE A 348
LEU A 284
THR A 350
 None
 1.02A 4psyA-4cvuA:
undetectable		 4psyA-4cvuA:
10.83
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ILE A 140
LEU A 380
ALA A 382
ILE A 367
LEU A 386
 None
 1.06A 4psyA-4d7eA:
undetectable		 4psyA-4d7eA:
18.36
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) 		7 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.56A 4psyA-4g8zX:
20.4		 4psyA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
MET A  25
PHE A  36
LYS A  37
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.84A 4psyA-4h96A:
18.0		 4psyA-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) 		7 ILE A   9
ALA A  11
PHE A  36
ILE A  62
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.48A 4psyA-4h98A:
19.3		 4psyA-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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 211
ALA A 223
PHE A 222
ILE A 232
THR A 216
 None
 1.06A 4psyA-4ilkA:
undetectable		 4psyA-4ilkA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lua N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13420
(Acetyltransf_4) 		5 ILE A   4
LEU A  69
ALA A  68
ILE A 104
THR A   6
 None
 1.06A 4psyA-4luaA:
undetectable		 4psyA-4luaA:
15.66
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
ALA A  29
PHE A  31
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
None
TMQ  A 202 (-4.0A)
None
None
TMQ  A 202 (-4.2A)
 0.28A 4psyA-4m2xA:
23.6		 4psyA-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)
 0.60A 4psyA-4m7vA:
25.2		 4psyA-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.
4ouq UNCHARACTERIZED
PROTEIN

(Bacteroides
fragilis) 		PF16022
(DUF4783) 		5 LEU A  68
ALA A  69
PHE A  71
ILE A 107
LEU A  98
 None
 0.85A 4psyA-4ouqA:
undetectable		 4psyA-4ouqA:
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 300
PHE A  96
LYS A  97
ILE A  83
LEU A 103
 None
 1.06A 4psyA-4ovkA:
undetectable		 4psyA-4ovkA:
21.09
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
ALA A  29
TRP A  30
PHE A  31
LYS A  32
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.38A 4psyA-4p68A:
30.3		 4psyA-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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 ILE A 402
ALA A 404
ALA A 345
PHE A 347
LEU A  32
 None
 0.98A 4psyA-4r0cA:
undetectable		 4psyA-4r0cA:
15.23
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.
4r6i ANTHRAX TOXIN
EXPRESSION
TRANS-ACTING
POSITIVE REGULATOR

(Bacillus
anthracis) 		PF00874
(PRD)
PF05043
(Mga)
PF08279
(HTH_11) 		5 ILE A 218
LEU A 260
ALA A 261
PHE A 259
ILE A 207
 None
 0.98A 4psyA-4r6iA:
undetectable		 4psyA-4r6iA:
16.31
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 MET A 155
LEU A 258
ALA A 259
PHE A 257
LEU A 170
 None
 0.97A 4psyA-4rbnA:
undetectable		 4psyA-4rbnA:
11.37
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 116
LEU A 379
ALA A 380
ILE A 449
LEU A 431
 None
 0.93A 4psyA-4s17A:
undetectable		 4psyA-4s17A:
15.82
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.
4tsh SURFACE PROTEIN
ADHESIN

(Streptococcus
mutans) 		PF16364
(Antigen_C) 		5 ILE B1104
LEU B1090
ALA B1091
PHE B1093
LEU B1036
 None
 1.02A 4psyA-4tshB:
undetectable		 4psyA-4tshB:
16.21
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.
4xba APRATAXIN-LIKE
PROTEIN

(Schizosaccharomyces
pombe) 		PF01230
(HIT)
PF16278
(zf-C2HE) 		5 ILE A 177
ALA A 139
PHE A 137
LEU A 146
THR A 179
 None
 0.95A 4psyA-4xbaA:
undetectable		 4psyA-4xbaA:
16.75
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ILE A 181
MET A 238
LEU A 178
ILE A  13
LEU A  39
 None
 1.06A 4psyA-4z7yA:
undetectable		 4psyA-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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ILE C 367
ALA C 216
PHE C 217
ILE C 205
LEU C 199
 None
 1.02A 4psyA-5b04C:
undetectable		 4psyA-5b04C:
18.18
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.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 ILE A 232
LEU A 188
ALA A 185
ILE A 267
LEU A 239
 None
 0.94A 4psyA-5ch6A:
undetectable		 4psyA-5ch6A:
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.
5cwh DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A  54
LEU A  93
ALA A  94
ILE A  67
LEU A 105
 None
 0.95A 4psyA-5cwhA:
undetectable		 4psyA-5cwhA:
21.20
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.
5d43 CENTRIN-1

(Mus musculus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 ILE A  48
LEU A  90
ALA A  91
PHE A  89
LEU A  60
 None
 0.88A 4psyA-5d43A:
undetectable		 4psyA-5d43A:
21.39
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
ALA A  46
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
EDO  A 203 (-3.6A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.47A 4psyA-5dxvA:
17.3		 4psyA-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
ALA A  46
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
EDO  A 203 (-3.6A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.66A 4psyA-5dxvA:
17.3		 4psyA-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
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.62A 4psyA-5fdaA:
20.2		 4psyA-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.
5it5 ATP BINDING
MOTIF-CONTAINING
PROTEIN PILF

(Thermus
thermophilus) 		no annotation 5 ILE F 831
ALA F 874
LEU F 885
ALA F 886
THR F 879
 None
 0.81A 4psyA-5it5F:
undetectable		 4psyA-5it5F:
17.18
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.
5k39 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 ILE A  36
LEU A   8
ALA A   7
LYS A  26
THR A 144
 None
 0.99A 4psyA-5k39A:
undetectable		 4psyA-5k39A:
21.79
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.
5l3z POLYKETIDE
KETOREDUCTASE SIMC7

(Streptomyces
antibioticus) 		PF13460
(NAD_binding_10) 		5 LEU A 188
ALA A 187
ILE A  12
LEU A  93
THR A 161
 None
None
NAP  A 500 (-3.8A)
NAP  A 500 (-4.6A)
None
 0.99A 4psyA-5l3zA:
undetectable		 4psyA-5l3zA:
22.92
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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 6 ILE A 130
LEU A 323
ALA A  72
TRP A  74
ILE A 299
TYR A 222
 None
None
None
None
OLA  A 414 ( 4.2A)
None
 1.46A 4psyA-5o9hA:
undetectable		 4psyA-5o9hA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
PHE A  35
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.23A 4psyA-5t0lA:
21.5		 4psyA-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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 240
LEU A  55
ALA A  54
ILE A  58
LEU A  64
 None
 1.01A 4psyA-5u2aA:
undetectable		 4psyA-5u2aA:
14.77
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.
5u9c DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Yersinia
enterocolitica) 		PF04321
(RmlD_sub_bind) 		5 MET A 154
ALA A  61
PHE A  60
ILE A 149
LEU A  99
 None
 0.98A 4psyA-5u9cA:
undetectable		 4psyA-5u9cA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 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
ALA A  30
PHE A  32
LYS A  33
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
None
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.42A 4psyA-6cxmA:
22.0		 4psyA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LEU A  29
ALA A  30
PHE A  32
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
None
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 4psyA-6cxmA:
22.0		 4psyA-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
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.50A 4psyA-6e4eA:
26.1		 4psyA-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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ILE A 279
ALA A 282
LEU A 305
ALA A 306
PHE A 308
 None
 0.83A 4psyA-6fhwA:
undetectable		 4psyA-6fhwA:
undetectable