SIMILAR PATTERNS OF AMINO ACIDS FOR 4M6K_A_FOLA201_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.65A 4m6kA-1cz3A:
16.8		 4m6kA-1cz3A:
28.12
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) 		10 ILE A   7
ALA A   9
LEU A  22
PHE A  34
THR A  56
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.54A 4m6kA-1dr6A:
32.1		 4m6kA-1dr6A:
74.73
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ALA A 108
ARG A 121
ILE A  23
LEU A  62
THR A 130
 None
 1.00A 4m6kA-1ekqA:
undetectable		 4m6kA-1ekqA:
21.45
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ILE A 202
ALA A 220
ARG A  33
THR A 185
ILE A 181
 None
 1.07A 4m6kA-1j0nA:
undetectable		 4m6kA-1j0nA:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		6 ILE A 460
LEU A 375
PHE A 456
PHE A 458
PRO A 477
TYR A 330
 None
 1.34A 4m6kA-1jmoA:
undetectable		 4m6kA-1jmoA:
16.46
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		6 ILE A 460
LEU A 375
PHE A 458
PRO A 477
LEU A 380
TYR A 330
 None
 1.33A 4m6kA-1jmoA:
undetectable		 4m6kA-1jmoA:
16.46
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) 		10 ILE A   7
ALA A   9
PHE A  31
PHE A  34
THR A  56
ILE A  60
PRO A  61
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 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.33A 4m6kA-1u70A:
31.4		 4m6kA-1u70A:
89.25
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) 		9 ILE A   7
ALA A   9
ARG A  32
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.60A 4m6kA-1u71A:
33.3		 4m6kA-1u71A:
99.46
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) 		9 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
MXA  A 187 (-4.3A)
 0.26A 4m6kA-1u71A:
33.3		 4m6kA-1u71A:
99.46
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
PHE A  31
THR A  56
ILE A  60
PRO A  61
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
 1.39A 4m6kA-1u71A:
33.3		 4m6kA-1u71A:
99.46
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.
1wdi HYPOTHETICAL PROTEIN
TT0907

(Thermus
thermophilus) 		PF02547
(Queuosine_synth) 		5 LEU A  58
PHE A 189
ARG A  24
PRO A  49
LEU A  29
 None
 1.04A 4m6kA-1wdiA:
undetectable		 4m6kA-1wdiA:
19.71
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.
1wy1 HYPOTHETICAL PROTEIN
PH0671

(Pyrococcus
horikoshii) 		PF01923
(Cob_adeno_trans) 		5 ILE A  41
LEU A  87
ARG A 123
ILE A  66
LEU A  34
 None
 1.08A 4m6kA-1wy1A:
undetectable		 4m6kA-1wy1A:
24.88
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) 		8 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 4m6kA-1zdrA:
20.4		 4m6kA-1zdrA:
33.86
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ILE A 148
LEU A 112
ARG A 123
THR A 141
LEU A 376
 None
None
None
SRM  A 564 (-2.9A)
None
 1.05A 4m6kA-2akjA:
undetectable		 4m6kA-2akjA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 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) 		9 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.68A 4m6kA-2blbA:
22.3		 4m6kA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A 266
ARG A 332
PHE A 329
ILE A 347
LEU A 273
 None
P3S  A5001 ( 3.1A)
None
None
None
 1.03A 4m6kA-2d3aA:
undetectable		 4m6kA-2d3aA:
19.15
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 455
LEU A 285
PHE A 431
ILE A 276
PRO A 302
 None
 0.99A 4m6kA-2db3A:
undetectable		 4m6kA-2db3A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 303
LEU A 164
PHE A 285
PHE A 250
LEU A 351
 None
 1.07A 4m6kA-2f3oA:
undetectable		 4m6kA-2f3oA:
13.91
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		5 ILE A 383
ALA A 380
LEU A 337
ARG A 229
PRO A 221
 None
None
None
None
SO4  A5047 (-4.2A)
 1.05A 4m6kA-2h12A:
undetectable		 4m6kA-2h12A:
19.91
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
ILE A  84
PRO A  85
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.53A 4m6kA-2h2qA:
22.0		 4m6kA-2h2qA:
18.34
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A  43
LEU A 260
PHE A 185
ILE A 181
LEU A 174
 None
 1.05A 4m6kA-2nwhA:
2.2		 4m6kA-2nwhA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.49A 4m6kA-2oipA:
23.1		 4m6kA-2oipA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 PHE A 143
ILE A 194
PRO A 195
LEU A 202
TYR A 259
 None
 0.93A 4m6kA-2qikA:
undetectable		 4m6kA-2qikA:
20.34
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) 		5 ALA A   8
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.63A 4m6kA-2qk8A:
21.5		 4m6kA-2qk8A:
34.76
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) 		5 ALA A   8
LEU A  21
ILE A  51
LEU A  55
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.4A)
 0.83A 4m6kA-2qk8A:
21.5		 4m6kA-2qk8A:
34.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
PHE A  35
THR A  50
PRO A  55
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.30A 4m6kA-2w3wA:
22.2		 4m6kA-2w3wA:
31.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 4m6kA-2w9sA:
21.1		 4m6kA-2w9sA:
32.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0n MALE-SPECIFIC LETHAL
3 HOMOLOG

(Homo sapiens) 		PF05712
(MRG) 		5 ILE A 174
LEU A 456
PHE A 487
PHE A 484
THR A 264
 None
 0.96A 4m6kA-2y0nA:
undetectable		 4m6kA-2y0nA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 LEU A 372
PHE A 187
THR A 149
ILE A 130
THR A 156
 None
None
None
None
FAD  A 618 (-4.4A)
 0.94A 4m6kA-2zxhA:
undetectable		 4m6kA-2zxhA:
15.36
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A  13
LEU A 154
PHE A  44
ILE A 317
LEU A  55
 None
 1.01A 4m6kA-3a31A:
undetectable		 4m6kA-3a31A:
18.64
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 716
LEU A 694
PHE A 706
LEU A 745
THR A 677
 None
 0.89A 4m6kA-3bwtA:
undetectable		 4m6kA-3bwtA:
21.56
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ILE A  38
LEU A 114
PHE A  76
ILE A  58
LEU A  52
 None
 1.06A 4m6kA-3d7nA:
undetectable		 4m6kA-3d7nA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
PHE A  30
THR A  45
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.66A 4m6kA-3dfrA:
21.6		 4m6kA-3dfrA:
31.05
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.55A 4m6kA-3dg8A:
22.8		 4m6kA-3dg8A:
25.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 ILE A 557
PHE A 503
THR A 545
LEU A 471
THR A 521
 None
 1.07A 4m6kA-3djaA:
undetectable		 4m6kA-3djaA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 376
LEU A 205
PHE A 352
ILE A 196
PRO A 222
 None
 1.03A 4m6kA-3dkpA:
undetectable		 4m6kA-3dkpA:
23.08
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 ALA A 112
PHE A 204
THR A 200
ILE A  88
LEU A 139
 None
 1.03A 4m6kA-3emvA:
undetectable		 4m6kA-3emvA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsy GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ILE A 354
ARG A 108
PHE A 239
ILE A 187
LEU A 115
 None
SO4  A 384 (-2.5A)
None
None
None
 1.07A 4m6kA-3hsyA:
2.3		 4m6kA-3hsyA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.73A 4m6kA-3i8aX:
20.8		 4m6kA-3i8aX:
29.03
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) 		8 ILE A   6
ALA A   8
PHE A  32
THR A  47
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 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.52A 4m6kA-3ia4A:
21.4		 4m6kA-3ia4A:
31.55
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  23
PHE A  34
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.75A 4m6kA-3ix9A:
21.5		 4m6kA-3ix9A:
31.16
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.
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
 0.97A 4m6kA-3kaoA:
undetectable		 4m6kA-3kaoA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ARG A  39
THR A  69
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
 0.96A 4m6kA-3kjrA:
22.8		 4m6kA-3kjrA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.56A 4m6kA-3kjrA:
22.8		 4m6kA-3kjrA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A  69
ILE A  73
PRO A  74
LEU A  80
TYR A 129
 NAP  A 512 (-3.6A)
None
None
None
None
 0.75A 4m6kA-3kjrA:
22.8		 4m6kA-3kjrA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE D  41
ALA D   7
ILE D  18
LEU D  60
THR D  43
 None
 1.08A 4m6kA-3ossD:
undetectable		 4m6kA-3ossD:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
PRO A  91
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 (-4.2A)
 0.50A 4m6kA-3rg9A:
22.1		 4m6kA-3rg9A:
29.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
LEU A  21
PHE A  32
THR A  47
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.49A 4m6kA-3tq9A:
21.7		 4m6kA-3tq9A:
30.35
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
THR A 108
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.61A 4m6kA-3um6A:
22.5		 4m6kA-3um6A:
14.14
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
THR A 108
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.65A 4m6kA-3um6A:
22.5		 4m6kA-3um6A:
14.14
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
PRO A 379
TYR A 228
 None
 1.02A 4m6kA-3ut3A:
undetectable		 4m6kA-3ut3A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B 981
ALA B 987
LEU B 977
PHE B 941
ILE B 904
 None
 1.09A 4m6kA-3v0aB:
undetectable		 4m6kA-3v0aB:
9.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
THR A  53
ILE A  57
PRO A  58
LEU A  64
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.63A 4m6kA-3vcoA:
24.5		 4m6kA-3vcoA:
37.56
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.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A  24
PHE A  12
THR A 142
ILE A 140
LEU A 207
 None
 1.06A 4m6kA-3wyaA:
undetectable		 4m6kA-3wyaA:
18.08
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) 		10 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
PRO X  66
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4m6kA-4g8zX:
25.3		 4m6kA-4g8zX:
37.38
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.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 ILE A 152
PHE A  42
ILE A 197
LEU A  68
THR A 169
 None
 1.02A 4m6kA-4gulA:
undetectable		 4m6kA-4gulA:
22.81
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) 		8 ILE A   9
ALA A  11
ARG A  34
PHE A  36
THR A  58
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
None
14Q  A 202 ( 4.6A)
 0.68A 4m6kA-4h96A:
21.3		 4m6kA-4h96A:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
PRO A  63
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.81A 4m6kA-4h96A:
21.3		 4m6kA-4h96A:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
PRO A  63
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 (-4.2A)
 0.48A 4m6kA-4h98A:
22.3		 4m6kA-4h98A:
38.22
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 LEU A 327
PHE A 261
ILE A 385
LEU A 367
THR A 377
 None
 1.07A 4m6kA-4hz8A:
undetectable		 4m6kA-4hz8A:
18.69
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.
4kc3 INTERLEUKIN-1
RECEPTOR-LIKE 1

(Homo sapiens) 		PF07679
(I-set) 		5 ALA B  80
PHE B  74
ILE B  57
PRO B  58
LEU B  72
 None
 0.98A 4m6kA-4kc3B:
undetectable		 4m6kA-4kc3B:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ILE A 377
ALA A 537
LEU A 521
THR A 337
ILE A 335
 HEC  A 807 ( 4.4A)
None
None
None
None
 1.08A 4m6kA-4lm8A:
undetectable		 4m6kA-4lm8A:
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.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		5 ILE A 334
LEU A 315
PHE A 366
ILE A 424
LEU A 428
 None
 1.10A 4m6kA-4lmoA:
undetectable		 4m6kA-4lmoA:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
PRO A  51
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 (-4.2A)
 0.43A 4m6kA-4m2xA:
21.1		 4m6kA-4m2xA:
32.98
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 ALA A   7
LEU A  20
PHE A  31
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 1.22A 4m6kA-4m7vA:
20.8		 4m6kA-4m7vA:
32.47
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) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.77A 4m6kA-4m7vA:
20.8		 4m6kA-4m7vA:
32.47
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 ALA A 232
ARG A 215
ILE A 197
PRO A 198
LEU A 204
 None
None
MFK  A 401 (-4.0A)
None
MFK  A 401 (-4.6A)
 0.89A 4m6kA-4mfzA:
undetectable		 4m6kA-4mfzA:
16.57
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.
4mn5 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		5 ARG A 343
PHE A 346
THR A 279
ILE A 277
LEU A 312
 None
 0.88A 4m6kA-4mn5A:
undetectable		 4m6kA-4mn5A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A  24
ALA A  28
ILE A  37
LEU A  59
THR A  26
 None
 1.11A 4m6kA-4nq3A:
undetectable		 4m6kA-4nq3A:
19.94
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.
4o1n SUPERANTIGEN-LIKE
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 ILE A 164
LEU A 176
ARG A 141
ILE A 114
LEU A 112
 None
 1.10A 4m6kA-4o1nA:
undetectable		 4m6kA-4o1nA:
23.45
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) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.38A 4m6kA-4p68A:
20.9		 4m6kA-4p68A:
32.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 LEU A 297
PHE A 386
PHE A 388
PRO A 407
TYR A 251
 None
 1.08A 4m6kA-4roaA:
undetectable		 4m6kA-4roaA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 738
LEU A 696
PHE A 713
ILE A 667
TYR A 754
 None
 1.03A 4m6kA-4xriA:
undetectable		 4m6kA-4xriA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ALA A  46
LEU A 263
PHE A 311
THR A 268
ILE A 326
 None
 0.96A 4m6kA-5bnzA:
undetectable		 4m6kA-5bnzA:
15.05
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ILE A 313
ARG A 178
PRO A 216
LEU A 121
THR A 223
 None
None
None
None
ACT  A 814 ( 4.9A)
 0.77A 4m6kA-5bv9A:
undetectable		 4m6kA-5bv9A:
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.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 LEU A 260
PHE A 340
PHE A 342
PRO A 361
TYR A 216
 None
 1.01A 4m6kA-5ce0A:
undetectable		 4m6kA-5ce0A:
18.42
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		6 ALA A 411
ILE A 403
PRO A 389
LEU A 253
TYR A 196
THR A 444
 None
 1.44A 4m6kA-5chcA:
undetectable		 4m6kA-5chcA:
15.31
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.54A 4m6kA-5dxvA:
12.6		 4m6kA-5dxvA:
28.35
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.85A 4m6kA-5ecxA:
20.5		 4m6kA-5ecxA:
27.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.44A 4m6kA-5fdaA:
14.7		 4m6kA-5fdaA:
32.46
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.
5fei DISTAL TUBE PROTEIN

(Bacillus virus
phi29) 		PF16838
(Caud_tail_N) 		5 ILE A 297
PHE A 281
ILE A 302
PRO A 303
LEU A 263
 None
 0.93A 4m6kA-5feiA:
undetectable		 4m6kA-5feiA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ILE B 204
ALA B 236
LEU B 358
ILE B 226
LEU B 197
 None
 1.08A 4m6kA-5fwxB:
2.3		 4m6kA-5fwxB:
17.92
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 LEU A 321
PHE A 323
ILE A 243
PRO A 244
LEU A 217
 None
 1.08A 4m6kA-5gs6A:
undetectable		 4m6kA-5gs6A:
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		5 ILE A 270
LEU A 313
PHE A 244
ILE A 319
LEU A 249
 None
 1.05A 4m6kA-5gviA:
undetectable		 4m6kA-5gviA:
18.71
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.05A 4m6kA-5husA:
3.1		 4m6kA-5husA:
22.15
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 LEU B  37
PHE B  24
ILE B  57
PRO B  58
LEU B  72
 None
 1.11A 4m6kA-5hzlB:
undetectable		 4m6kA-5hzlB:
21.94
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		5 LEU A  45
PHE A  34
ARG A  35
THR A  53
PRO A  49
 None
 1.11A 4m6kA-5lx0A:
undetectable		 4m6kA-5lx0A:
19.01
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.
5ohk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Homo sapiens) 		PF00443
(UCH) 		5 ILE A 274
LEU A 317
PHE A 248
ILE A 323
LEU A 253
 None
 1.01A 4m6kA-5ohkA:
undetectable		 4m6kA-5ohkA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  10
LEU A  23
PHE A  32
PHE A  35
THR A  83
PRO A  88
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.45A 4m6kA-5t0lA:
24.5		 4m6kA-5t0lA:
16.02
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ILE A 390
LEU A 407
PHE A 375
ARG A 372
ILE A 245
 None
None
None
FMT  A 507 (-3.7A)
None
 1.02A 4m6kA-5u4hA:
undetectable		 4m6kA-5u4hA:
18.72
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ILE A1457
ALA A1476
LEU A1479
THR A1211
ILE A1481
PRO A1482
 None
 1.27A 4m6kA-5vadA:
undetectable		 4m6kA-5vadA:
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ILE A1457
ALA A1476
THR A1211
ILE A1481
PRO A1482
THR A1461
 None
 1.33A 4m6kA-5vadA:
undetectable		 4m6kA-5vadA:
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A  87
PHE A  13
THR A  74
ILE A  72
LEU A  18
 None
 1.07A 4m6kA-5wutA:
undetectable		 4m6kA-5wutA:
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.
6a8m -

(-) 		no annotation 5 LEU A  85
PHE A  12
THR A  64
ILE A  66
LEU A  52
 None
 1.08A 4m6kA-6a8mA:
undetectable		 4m6kA-6a8mA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.07A 4m6kA-6aonA:
undetectable		 4m6kA-6aonA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
 None
None
None
None
IOD  A 403 ( 4.8A)
 1.10A 4m6kA-6b4mA:
undetectable		 4m6kA-6b4mA:
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.
6bqw BACTERIAL ACTIN ALFA

(Bacillus
subtilis) 		no annotation 5 ILE A  86
PHE A 122
THR A  14
ILE A   7
LEU A  92
 None
 1.09A 4m6kA-6bqwA:
undetectable		 4m6kA-6bqwA:
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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 5 ARG A 515
ILE A 567
PRO A 568
LEU A 484
THR A 531
 None
 1.07A 4m6kA-6c0mA:
undetectable		 4m6kA-6c0mA:
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
PHE A  32
THR A  47
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.45A 4m6kA-6cxmA:
20.2		 4m6kA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.66A 4m6kA-6e4eA:
21.0		 4m6kA-6e4eA:
undetectable