SIMILAR PATTERNS OF AMINO ACIDS FOR 2D0K_A_FOLA1161_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.
1a3y ODORANT BINDING
PROTEIN

(Sus scrofa) 		PF00061
(Lipocalin) 		5 ILE A  99
ALA A  97
LEU A 129
PHE A 132
LYS A 133
 None
 0.96A 2d0kA-1a3yA:
undetectable		 2d0kA-1a3yA:
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.
1b8h DNA POLYMERASE
PROCESSIVITY
COMPONENT

(Escherichia
virus RB69) 		PF02916
(DNA_PPF)
PF09116
(gp45-slide_C) 		6 ILE A  81
LEU A  57
PHE A  60
ILE A   8
LEU A  64
ILE A  73
 None
 1.37A 2d0kA-1b8hA:
undetectable		 2d0kA-1b8hA:
22.12
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.
1c8o ICE INHIBITOR

(Cowpox virus) 		PF00079
(Serpin) 		5 PHE A 141
ILE A 186
LEU A 188
PRO A 189
ILE A 235
 None
 0.93A 2d0kA-1c8oA:
undetectable		 2d0kA-1c8oA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  31
ILE A  51
LEU A  55
PRO A  56
ARG A  58
ILE A 100
THR A 121
 None
 0.59A 2d0kA-1cz3A:
19.9		 2d0kA-1cz3A:
31.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ILE A 201
ALA A 184
ILE A 287
LEU A 273
ILE A 224
 None
 0.91A 2d0kA-1dabA:
undetectable		 2d0kA-1dabA:
17.07
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
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.39A 2d0kA-1dr6A:
19.7		 2d0kA-1dr6A:
33.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ILE A  90
ALA A  88
LEU A 136
LEU A 128
ILE A  93
 None
 0.94A 2d0kA-1fnnA:
undetectable		 2d0kA-1fnnA:
18.62
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		6 ILE A  75
ALA A  38
PHE A  73
ILE A  64
LEU A  90
PRO A  70
 None
 1.46A 2d0kA-1h3gA:
undetectable		 2d0kA-1h3gA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ILE A 223
PHE A 256
ILE A  17
LEU A 199
ILE A 220
 None
 0.94A 2d0kA-1l5jA:
undetectable		 2d0kA-1l5jA:
13.46
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
ILE A  60
LEU A  67
ARG A  70
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)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.43A 2d0kA-1u70A:
19.3		 2d0kA-1u70A:
32.11
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
ILE A  60
LEU A  67
ARG A  70
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
None
MXA  A 187 (-4.3A)
 0.42A 2d0kA-1u71A:
19.1		 2d0kA-1u71A:
30.85
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.
1wz9 MASPIN PRECURSOR

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A 175
ILE A 217
LEU A 219
PRO A 220
ILE A 273
 None
CME  A 205 ( 4.4A)
None
None
None
 0.85A 2d0kA-1wz9A:
undetectable		 2d0kA-1wz9A:
16.22
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		6 ILE A   3
ALA A 195
LEU A  16
ILE A   7
LEU A 169
ILE A 189
 None
 1.47A 2d0kA-1xfgA:
undetectable		 2d0kA-1xfgA:
22.36
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) 		10 ILE A   5
ALA A   7
LEU A  28
PHE A  31
ILE A  50
LEU A  54
PRO A  55
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
None
None
 0.60A 2d0kA-1zdrA:
23.9		 2d0kA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
 None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 1.16A 2d0kA-1zdrA:
23.9		 2d0kA-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) 		10 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
ARG A 131
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)
None
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.61A 2d0kA-2blbA:
19.0		 2d0kA-2blbA:
24.18
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.
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 2d0kA-2bv7A:
undetectable		 2d0kA-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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 ILE A 312
ILE A 190
LEU A 248
PRO A 249
ILE A 280
 HEA  A 516 (-3.9A)
None
None
None
None
 0.95A 2d0kA-2eijA:
undetectable		 2d0kA-2eijA:
15.73
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.
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A 286
ILE A 383
LEU A 321
ILE A 297
THR A 301
 None
 0.96A 2d0kA-2fbmA:
undetectable		 2d0kA-2fbmA:
18.56
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  28
PHE A  52
ILE A  84
LEU A  91
PRO A  92
ARG A  94
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
None
None
 0.46A 2d0kA-2h2qA:
18.3		 2d0kA-2h2qA:
17.29
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ILE G 238
ALA G 221
ILE G 319
LEU G 305
ILE G 261
 None
 0.95A 2d0kA-2iouG:
undetectable		 2d0kA-2iouG:
15.34
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.
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
ILE A  62
LEU A  67
ARG A  70
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)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.74A 2d0kA-2oipA:
19.8		 2d0kA-2oipA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2e PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
salivarius) 		PF01521
(Fe-S_biosyn) 		5 ILE A   5
PHE A  75
ILE A 116
LEU A  15
ILE A  91
 None
 0.86A 2d0kA-2p2eA:
undetectable		 2d0kA-2p2eA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 ILE A 234
LEU A  19
PHE A  34
LYS A  35
LEU A 220
 None
 0.94A 2d0kA-2po4A:
undetectable		 2d0kA-2po4A:
10.11
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		6 ILE A 545
ALA A 593
ILE A 557
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)
 1.41A 2d0kA-2q0aA:
undetectable		 2d0kA-2q0aA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.23A 2d0kA-2q0aA:
undetectable		 2d0kA-2q0aA:
22.39
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
ILE A  51
LEU A  55
PRO A  56
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.8A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.74A 2d0kA-2qk8A:
23.3		 2d0kA-2qk8A:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
PRO A  56
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.8A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.63A 2d0kA-2qk8A:
23.3		 2d0kA-2qk8A:
40.37
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 PHE A 335
ILE A 341
LEU A 299
PRO A 300
THR A 307
 None
 0.92A 2d0kA-2qqpA:
undetectable		 2d0kA-2qqpA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		6 ALA A 237
PHE A 225
ILE A 246
LEU A 266
PRO A 267
ILE A 221
 None
 1.50A 2d0kA-2r3bA:
undetectable		 2d0kA-2r3bA:
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.90A 2d0kA-2rjqA:
undetectable		 2d0kA-2rjqA:
18.45
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.
2vt1 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS
SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Shigella
flexneri;
Shigella
flexneri) 		PF01312
(Bac_export_2)
PF01312
(Bac_export_2) 		5 ILE B 277
LEU B 306
ILE B 332
LEU A 253
THR B 313
 None
 0.94A 2d0kA-2vt1B:
undetectable		 2d0kA-2vt1B:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		5 ILE A 141
LEU A 143
PRO A 144
ILE A 184
TYR A 237
 None
 0.93A 2d0kA-2vy0A:
undetectable		 2d0kA-2vy0A:
20.74
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) 		10 ALA A  11
LEU A  32
PHE A  35
LYS A  36
LEU A  61
PRO A  62
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.67A 2d0kA-2w3wA:
23.0		 2d0kA-2w3wA:
35.12
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) 		9 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.71A 2d0kA-2w9sA:
23.7		 2d0kA-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
 0.84A 2d0kA-3b8zA:
undetectable		 2d0kA-3b8zA:
21.86
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.
3cyq CHEMOTAXIS PROTEIN
MOTB

(Helicobacter
pylori) 		no annotation 5 ILE B 229
PHE B 231
ILE B 244
LEU B 151
PRO B 152
 None
 0.95A 2d0kA-3cyqB:
undetectable		 2d0kA-3cyqB:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ILE A 276
LYS A 268
ILE A 286
LEU A 295
ILE A 279
THR A 241
 None
 1.24A 2d0kA-3dfhA:
undetectable		 2d0kA-3dfhA:
18.62
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  27
PHE A  30
LEU A  54
PRO A  55
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.91A 2d0kA-3dfrA:
22.1		 2d0kA-3dfrA:
29.88
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
ARG A 122
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)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.37A 2d0kA-3dg8A:
19.3		 2d0kA-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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
LEU A 680
ILE A 667
LEU A 754
ILE A 693
 None
 0.91A 2d0kA-3ecqA:
undetectable		 2d0kA-3ecqA:
6.92
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.
3fzv PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		6 ALA A 276
LEU A 273
LEU A 110
PRO A 111
ILE A  99
THR A 161
 None
 1.40A 2d0kA-3fzvA:
undetectable		 2d0kA-3fzvA:
19.48
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
ILE X  50
LEU X  54
PRO X  55
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.6A)
None
None
None
None
N22  X 219 (-4.4A)
 0.72A 2d0kA-3i8aX:
23.8		 2d0kA-3i8aX:
37.20
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
ILE X  50
PRO X  55
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.72A 2d0kA-3i8aX:
23.8		 2d0kA-3i8aX:
37.20
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
LEU A  29
PHE A  32
LEU A  55
PRO A  56
ARG A  58
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)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.72A 2d0kA-3ia4A:
25.7		 2d0kA-3ia4A:
53.99
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
PHE A  32
ILE A  51
LEU A  55
PRO A  56
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.66A 2d0kA-3ia4A:
25.7		 2d0kA-3ia4A:
53.99
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) 		8 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LEU A  58
PRO A  59
ARG A  61
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 ( 4.0A)
MTX  A 200 ( 4.7A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.82A 2d0kA-3ix9A:
23.4		 2d0kA-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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 234
LEU A 227
ILE A 264
LEU A 282
PRO A 281
 EDO  A 413 ( 4.3A)
None
None
None
None
 0.88A 2d0kA-3k5pA:
undetectable		 2d0kA-3k5pA:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.57A 2d0kA-3kjrA:
19.9		 2d0kA-3kjrA:
15.37
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.
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
 0.77A 2d0kA-3lorA:
undetectable		 2d0kA-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.
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)
 1.21A 2d0kA-3ogjA:
undetectable		 2d0kA-3ogjA:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.40A 2d0kA-3rg9A:
17.9		 2d0kA-3rg9A:
27.08
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.
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
 0.76A 2d0kA-3shrA:
undetectable		 2d0kA-3shrA:
18.12
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) 		10 ILE A   6
ALA A   8
LEU A  29
PHE A  32
ILE A  51
LEU A  55
PRO A  56
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.61A 2d0kA-3tq9A:
23.4		 2d0kA-3tq9A:
43.37
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) 		7 ILE A   6
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ARG A  58
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
 1.24A 2d0kA-3tq9A:
23.4		 2d0kA-3tq9A:
43.37
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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.79A 2d0kA-3u3gD:
undetectable		 2d0kA-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) 		8 ILE A  14
PHE A  58
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.49A 2d0kA-3um6A:
19.4		 2d0kA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
ILE A  57
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
 0.66A 2d0kA-3vcoA:
17.9		 2d0kA-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
 1.07A 2d0kA-3wlxB:
undetectable		 2d0kA-3wlxB:
19.35
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 ILE A 119
LEU A 131
ILE A  99
LEU A  97
ILE A 227
 None
 0.85A 2d0kA-4bq4A:
undetectable		 2d0kA-4bq4A:
11.91
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.
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 2d0kA-4bruA:
undetectable		 2d0kA-4bruA:
17.33
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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		5 ALA A 182
PHE A  63
ILE A  59
LEU A  74
PRO A  75
 None
 0.82A 2d0kA-4ccsA:
undetectable		 2d0kA-4ccsA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 0.93A 2d0kA-4cnkA:
undetectable		 2d0kA-4cnkA:
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		6 ILE A 329
ALA A 379
ILE A 341
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
None
PCG  A1423 (-3.0A)
 1.41A 2d0kA-4d7sA:
undetectable		 2d0kA-4d7sA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.16A 2d0kA-4d7sA:
undetectable		 2d0kA-4d7sA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evf GIARDIN SUBUNIT
ALPHA-1

(Giardia
intestinalis) 		PF00191
(Annexin) 		6 ILE A 205
PHE A 178
ILE A 189
LEU A 162
ILE A 201
THR A 216
 None
 1.43A 2d0kA-4evfA:
undetectable		 2d0kA-4evfA:
19.86
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
ILE X  65
LEU X  72
ARG X  75
ILE X 123
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 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.29A 2d0kA-4g8zX:
18.6		 2d0kA-4g8zX:
31.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 ILE A  86
ALA A 272
LYS A 280
LEU A 111
PRO A 112
 None
 0.91A 2d0kA-4gl0A:
undetectable		 2d0kA-4gl0A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
PHE A  36
ILE A  62
LEU A  69
PRO A  70
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.59A 2d0kA-4h96A:
17.3		 2d0kA-4h96A:
31.79
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
PHE A  36
LYS A  37
ILE A  62
LEU A  69
PRO A  70
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.2A)
None
 0.78A 2d0kA-4h96A:
17.3		 2d0kA-4h96A:
31.79
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
PHE A  36
ILE A  62
LEU A  69
PRO A  70
ARG A  72
ILE A 121
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
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.35A 2d0kA-4h98A:
17.5		 2d0kA-4h98A:
29.57
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 379
LEU A 333
ILE A 340
LEU A 343
PRO A 344
 None
 0.95A 2d0kA-4kngA:
undetectable		 2d0kA-4kngA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 145
LEU A 105
LEU A  59
ILE A 133
THR A 144
 None
 0.96A 2d0kA-4ls9A:
undetectable		 2d0kA-4ls9A:
20.77
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) 		9 ILE A   5
ALA A   7
PHE A  31
LEU A  57
PRO A  58
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
None
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.41A 2d0kA-4m2xA:
21.2		 2d0kA-4m2xA:
33.33
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) 		8 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  55
PRO A  56
ARG A  58
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 ( 4.6A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.78A 2d0kA-4m7vA:
22.6		 2d0kA-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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 312
LEU A 342
PHE A 344
ILE A 375
PRO A 378
 None
 0.96A 2d0kA-4oc9A:
undetectable		 2d0kA-4oc9A:
16.59
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
PHE A  31
ILE A  50
PRO A  55
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.34A 2d0kA-4p68A:
28.4		 2d0kA-4p68A:
96.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ILE A   5
PHE A  31
LYS A  32
ILE A  50
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
 1.07A 2d0kA-4p68A:
28.4		 2d0kA-4p68A:
96.23
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.
4ql6 CARBOXY-TERMINAL
PROCESSING PROTEASE

(Chlamydia
trachomatis) 		PF00595
(PDZ)
PF03572
(Peptidase_S41) 		5 ILE A 220
LEU A 103
PHE A 100
LEU A  88
PRO A  87
 None
 0.92A 2d0kA-4ql6A:
undetectable		 2d0kA-4ql6A:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.94A 2d0kA-4qx5A:
undetectable		 2d0kA-4qx5A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ALA A  46
LEU A 379
ILE A  10
ILE A 354
TYR A  23
 None
 0.93A 2d0kA-4upiA:
undetectable		 2d0kA-4upiA:
13.89
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		6 LEU D  50
PHE D   4
ILE D  22
LEU D  24
PRO D  25
ILE D  15
 None
 1.32A 2d0kA-5a6bD:
undetectable		 2d0kA-5a6bD:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 2d0kA-5cc8A:
undetectable		 2d0kA-5cc8A:
19.68
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
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 1.24A 2d0kA-5dxvA:
17.0		 2d0kA-5dxvA:
67.23
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
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.58A 2d0kA-5dxvA:
17.0		 2d0kA-5dxvA:
67.23
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
LEU A  45
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.73A 2d0kA-5dxvA:
17.0		 2d0kA-5dxvA:
67.23
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
PRO A  54
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
None
None
None
 0.95A 2d0kA-5ecxA:
22.4		 2d0kA-5ecxA:
31.29
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.
5ey0 GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Staphylococcus
aureus) 		no annotation 5 LEU B 179
LYS B 223
ILE B 190
LEU B 221
ILE B 230
 None
 0.93A 2d0kA-5ey0B:
undetectable		 2d0kA-5ey0B:
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ALA A  28
LEU A 195
ILE A  71
LEU A 155
PRO A 157
ILE A 153
 None
 1.42A 2d0kA-5f7cA:
undetectable		 2d0kA-5f7cA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fby SEPARASE

(Chaetomium
thermophilum) 		PF03568
(Peptidase_C50) 		5 ILE A1717
PHE A1827
ILE A1815
LEU A1971
PRO A1972
 None
 0.94A 2d0kA-5fbyA:
undetectable		 2d0kA-5fbyA:
15.34
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
ILE A  51
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.11A 2d0kA-5fdaA:
20.1		 2d0kA-5fdaA:
77.64
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
ILE A  51
LEU A  55
PRO A  56
TYR A 101
THR A 114
 None
 0.59A 2d0kA-5fdaA:
20.1		 2d0kA-5fdaA:
77.64
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.
5fef PROFILIN-5

(Zea mays) 		PF00235
(Profilin) 		6 ILE A 105
ALA A  24
LEU A  42
ILE A  83
LEU A  65
ILE A  92
 None
None
None
GOL  A 201 ( 4.9A)
None
None
 1.25A 2d0kA-5fefA:
undetectable		 2d0kA-5fefA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		6 ILE A 359
LEU A 413
PHE A 387
ILE A 406
LEU A 401
ILE A 357
 None
 1.10A 2d0kA-5hdhA:
undetectable		 2d0kA-5hdhA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 2d0kA-5jjuA:
undetectable		 2d0kA-5jjuA:
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.
5loe GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Bacillus
subtilis) 		PF06018
(CodY)
PF08222
(HTH_CodY) 		5 LEU A 179
LYS A 223
ILE A 190
LEU A 221
ILE A 230
 None
 0.93A 2d0kA-5loeA:
undetectable		 2d0kA-5loeA:
19.92
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  35
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
 0.33A 2d0kA-5t0lA:
19.9		 2d0kA-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.
5tpc BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		6 ILE A 965
LEU A 916
PHE A1055
ILE A 898
LEU A 881
ILE A1053
 None
 1.36A 2d0kA-5tpcA:
undetectable		 2d0kA-5tpcA:
16.51
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 6 ILE A 301
ALA A 254
LEU A 130
LEU A 137
ILE A 260
THR A 344
 None
 1.40A 2d0kA-5xnzA:
undetectable		 2d0kA-5xnzA:
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.
5y59 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 6 ILE B   9
LEU B 140
ILE B 183
LEU B 154
ILE B 130
THR B 134
 None
 1.24A 2d0kA-5y59B:
undetectable		 2d0kA-5y59B:
undetectable