SIMILAR PATTERNS OF AMINO ACIDS FOR 4M2X_G_TMQG202_1

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
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) 		5 ILE A   7
ALA A   9
PRO A  61
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
HBI  A 198 ( 4.5A)
 0.59A 4m2xG-1dr6A:
20.6		 4m2xG-1dr6A:
30.69
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.
1eyp CHALCONE-FLAVONONE
ISOMERASE 1

(Medicago sativa) 		PF02431
(Chalcone) 		5 ILE A  50
LEU A 160
VAL A 183
ILE A  93
THR A  48
 None
 1.10A 4m2xG-1eypA:
undetectable		 4m2xG-1eypA:
23.73
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ILE A 571
ALA A 592
ILE A 395
PRO A 403
VAL A  52
THR A 573
 None
 1.49A 4m2xG-1m53A:
undetectable		 4m2xG-1m53A:
13.73
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ILE A  34
LEU A 288
PRO A 289
VAL A 292
ILE A  33
 None
 1.06A 4m2xG-1nj1A:
2.1		 4m2xG-1nj1A:
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.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ILE A 228
ALA A 152
ILE A 141
LEU A 132
VAL A 187
 None
 1.10A 4m2xG-1ogpA:
undetectable		 4m2xG-1ogpA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ILE A  37
ALA A  83
GLN A 167
LEU A 146
VAL A 149
ILE A  40
 None
 1.47A 4m2xG-1poxA:
undetectable		 4m2xG-1poxA:
14.80
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 ILE A 372
LEU A 414
PRO A 416
VAL A 411
THR A 388
 None
 1.01A 4m2xG-1qguA:
undetectable		 4m2xG-1qguA:
19.95
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) 		5 ILE A   7
ALA A   9
PRO A  61
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.8A)
None
MTX  A 187 (-4.4A)
 0.52A 4m2xG-1u70A:
20.0		 4m2xG-1u70A:
31.75
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) 		5 ILE A   7
ALA A   9
PRO A  61
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
 0.38A 4m2xG-1u71A:
20.9		 4m2xG-1u71A:
31.94
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.
1upf URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		no annotation 5 ILE D  29
ALA D 197
ILE D 229
GLN D 200
ILE D  25
 None
None
URF  D 999 (-4.0A)
None
None
 1.10A 4m2xG-1upfD:
undetectable		 4m2xG-1upfD:
20.60
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) 		5 ILE A   5
ALA A   7
ASP A  27
ILE A  96
THR A 115
 None
 0.28A 4m2xG-1zdrA:
7.5		 4m2xG-1zdrA:
34.73
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.54A 4m2xG-2blbA:
19.6		 4m2xG-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 ILE A 345
LEU A 249
PRO A 250
VAL A 253
ILE A 296
 None
 1.02A 4m2xG-2ewyA:
undetectable		 4m2xG-2ewyA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 1.38A 4m2xG-2h2qA:
20.0		 4m2xG-2h2qA:
20.04
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
PRO A  85
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.56A 4m2xG-2h2qA:
20.0		 4m2xG-2h2qA:
20.04
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ILE A  41
ASP A  48
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
 0.40A 4m2xG-2h2qA:
20.0		 4m2xG-2h2qA:
20.04
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.
2m72 UNCHARACTERIZED
THIOREDOXIN-LIKE
PROTEIN

(Porphyromonas
gingivalis) 		PF00578
(AhpC-TSA) 		5 ALA A 114
LEU A   9
PRO A  10
VAL A  12
ILE A  69
 None
 1.05A 4m2xG-2m72A:
undetectable		 4m2xG-2m72A:
21.81
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ALA A 269
ILE A 279
GLN A 336
ILE A 341
TYR A 180
 None
 0.91A 4m2xG-2p4qA:
2.4		 4m2xG-2p4qA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 ILE A 573
ILE A 681
LEU A 637
VAL A 693
ILE A 570
 None
 1.08A 4m2xG-2pi5A:
undetectable		 4m2xG-2pi5A:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		5 ILE A 185
ALA A  64
LEU A 240
VAL A 243
ILE A 214
 None
 1.04A 4m2xG-2qptA:
undetectable		 4m2xG-2qptA:
15.85
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) 		9 ALA A  11
ILE A  24
ASP A  31
LEU A  54
PRO A  55
VAL A  58
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.6A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.38A 4m2xG-2w3wA:
10.2		 4m2xG-2w3wA:
68.26
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) 		5 ILE A   5
ALA A   7
ASP A  27
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.21A 4m2xG-2w9sA:
8.2		 4m2xG-2w9sA:
31.93
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.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		5 ILE A  21
ALA A  90
ILE A  92
LEU A  40
ILE A  64
 None
 1.07A 4m2xG-2x77A:
undetectable		 4m2xG-2x77A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ytc PRE-MRNA-SPLICING
FACTOR RBM22

(Homo sapiens) 		PF00076
(RRM_1) 		5 ILE A 265
ALA A 286
GLN A 261
LEU A 298
ILE A 279
 None
 1.10A 4m2xG-2ytcA:
undetectable		 4m2xG-2ytcA:
18.90
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.10A 4m2xG-3a3cA:
undetectable		 4m2xG-3a3cA:
17.09
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 ILE A 242
GLN A 228
LEU A 411
PRO A 408
ILE A 429
 None
 1.02A 4m2xG-3boeA:
undetectable		 4m2xG-3boeA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 ILE A  32
GLN A  18
LEU A 201
PRO A 198
ILE A 219
 None
 1.02A 4m2xG-3bohA:
undetectable		 4m2xG-3bohA:
22.73
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 ILE A  32
LEU A 201
PRO A 198
VAL A 197
ILE A 219
 None
 1.10A 4m2xG-3bohA:
undetectable		 4m2xG-3bohA:
22.73
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.
3c4b ENDORIBONUCLEASE
DICER

(Mus musculus) 		PF00636
(Ribonuclease_3) 		5 ALA A1733
ILE A1795
LEU A1667
ILE A1657
TYR A1818
 None
 1.08A 4m2xG-3c4bA:
undetectable		 4m2xG-3c4bA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
ASP A  54
PRO A 113
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.38A 4m2xG-3dg8A:
19.9		 4m2xG-3dg8A:
21.66
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.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ILE A 187
ILE A  34
LEU A 166
PRO A 165
ILE A  40
 None
None
None
None
POP  A4001 (-4.9A)
 1.04A 4m2xG-3fiuA:
undetectable		 4m2xG-3fiuA:
19.29
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.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		5 ILE A 302
ILE A  23
LEU A 210
VAL A 207
ILE A 283
 None
 1.07A 4m2xG-3i4eA:
undetectable		 4m2xG-3i4eA:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.22A 4m2xG-3ia4A:
8.5		 4m2xG-3ia4A:
35.50
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 ILE A 302
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 0.97A 4m2xG-3ilwA:
undetectable		 4m2xG-3ilwA:
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.
3imo INTEGRON CASSETTE
PROTEIN

(Vibrio cholerae) 		no annotation 5 ILE A  32
ILE A  15
LEU A  62
VAL A  64
ILE A  82
 None
None
ACT  A 114 ( 4.8A)
None
None
 1.09A 4m2xG-3imoA:
undetectable		 4m2xG-3imoA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 144
ALA A 134
LEU A  25
PRO A  24
ILE A 117
 None
 1.07A 4m2xG-3k2bA:
2.1		 4m2xG-3k2bA:
17.60
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 ALA A 560
LEU A 585
PRO A 582
ILE A 565
THR A 524
 None
 1.08A 4m2xG-3k7dA:
undetectable		 4m2xG-3k7dA:
17.15
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  29
ASP A  37
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
 0.33A 4m2xG-3kjrA:
20.2		 4m2xG-3kjrA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ILE A -78
ALA A-239
LEU A-324
VAL A-321
ILE A-285
 None
 1.08A 4m2xG-3l2jA:
undetectable		 4m2xG-3l2jA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ILE A 271
GLN A 318
LEU A   7
PRO A   6
ILE A 307
 None
 0.89A 4m2xG-3l5aA:
undetectable		 4m2xG-3l5aA:
19.25
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.
3n93 MALTOSE BINDING
PROTEIN-CRFR2 ALPHA

(Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ILE A-104
ALA A-265
LEU A-350
VAL A-347
ILE A-311
 None
 1.11A 4m2xG-3n93A:
undetectable		 4m2xG-3n93A:
17.03
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.
3n94 FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PITUITARY
ADENYLATE CYCLASE 1
RECEPTOR-SHORT

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ILE A -82
ALA A-243
LEU A-328
VAL A-325
ILE A-289
 None
 1.09A 4m2xG-3n94A:
undetectable		 4m2xG-3n94A:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 ILE A 135
ALA A 300
ILE A 298
LEU A 286
ILE A 132
 None
 1.04A 4m2xG-3ohtA:
undetectable		 4m2xG-3ohtA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 ILE A 514
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.10A 4m2xG-3osqA:
undetectable		 4m2xG-3osqA:
12.71
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.10A 4m2xG-3osrA:
undetectable		 4m2xG-3osrA:
13.39
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.
3qhp TYPE 1 CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
J (CAPJ)

(Helicobacter
pylori) 		PF00534
(Glycos_transf_1) 		5 ALA A 258
ILE A 221
GLN A 217
LEU A 330
ILE A 205
 None
 1.07A 4m2xG-3qhpA:
2.0		 4m2xG-3qhpA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 1.39A 4m2xG-3rg9A:
19.3		 4m2xG-3rg9A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
ILE A  47
ASP A  54
LEU A  90
PRO A  91
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
WRA  A 602 (-4.3A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.38A 4m2xG-3rg9A:
19.3		 4m2xG-3rg9A:
32.65
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) 		5 ILE A   6
ALA A   8
ASP A  28
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.22A 4m2xG-3tq9A:
9.0		 4m2xG-3tq9A:
35.48
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.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		5 ILE A 142
ILE A 208
GLN A 166
ILE A 140
THR A 149
 None
None
TRS  A 330 (-4.9A)
None
None
 1.00A 4m2xG-3u4yA:
undetectable		 4m2xG-3u4yA:
17.96
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
ASP A  54
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.52A 4m2xG-3um6A:
19.6		 4m2xG-3um6A:
15.46
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) 		6 ALA A   8
ASP A  28
PRO A  58
ILE A 111
TYR A 117
THR A 133
 None
 0.77A 4m2xG-3vcoA:
6.6		 4m2xG-3vcoA:
31.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2

(Escherichia
coli;
Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.11A 4m2xG-3vd8A:
undetectable		 4m2xG-3vd8A:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 141
LEU A 107
PRO A  95
VAL A 103
THR A  51
 None
 1.06A 4m2xG-4ah6A:
undetectable		 4m2xG-4ah6A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.06A 4m2xG-4b3nA:
undetectable		 4m2xG-4b3nA:
14.19
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.
4bxi ACCESSORY GENE
REGULATOR PROTEIN C

(Staphylococcus
aureus) 		PF14501
(HATPase_c_5) 		5 ILE A 336
ILE A 313
LEU A 288
VAL A 319
ILE A 333
 None
 1.01A 4m2xG-4bxiA:
undetectable		 4m2xG-4bxiA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		5 ALA A 212
LEU A 247
PRO A 248
VAL A 251
ILE A 232
 None
 0.96A 4m2xG-4dnhA:
undetectable		 4m2xG-4dnhA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN

(Escherichia
coli;
Mus musculus) 		PF07679
(I-set)
PF13416
(SBP_bac_8) 		5 ILE A 267
ALA A 106
LEU A  21
VAL A  24
ILE A  60
 None
 1.10A 4m2xG-4edqA:
undetectable		 4m2xG-4edqA:
16.53
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) 		6 ILE X  10
ALA X  12
PRO X  66
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.38A 4m2xG-4g8zX:
20.2		 4m2xG-4g8zX:
30.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.36A 4m2xG-4h96A:
17.2		 4m2xG-4h96A:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
PRO A  63
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.2A)
None
 0.64A 4m2xG-4h96A:
17.2		 4m2xG-4h96A:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
PRO A  63
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.4A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.39A 4m2xG-4h98A:
18.4		 4m2xG-4h98A:
27.39
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 ILE A 267
ALA A 106
LEU A  21
VAL A  24
ILE A  60
 None
 1.09A 4m2xG-4irlA:
undetectable		 4m2xG-4irlA:
17.46
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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 ILE A 268
ILE A 110
LEU A  22
VAL A  25
ILE A  61
 None
 1.02A 4m2xG-4logA:
undetectable		 4m2xG-4logA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		5 ILE A 268
ALA A 107
LEU A  22
VAL A  25
ILE A  61
 None
 1.08A 4m2xG-4my2A:
undetectable		 4m2xG-4my2A:
16.96
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ILE A 166
ALA A 198
LEU A 211
VAL A 209
ILE A 190
 None
 1.10A 4m2xG-4nu3A:
undetectable		 4m2xG-4nu3A:
23.31
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
ALA A   7
ASP A  27
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.23A 4m2xG-4p68A:
23.1		 4m2xG-4p68A:
34.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe2 MALTOSE ABC
TRANSPORTER
PERIPLASMIC
PROTEIN,PREPILIN-TYP
E N-TERMINAL
CLEAVAGE/METHYLATION
DOMAIN PROTEIN

(Clostridioides
difficile;
Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.11A 4m2xG-4pe2A:
undetectable		 4m2xG-4pe2A:
15.89
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 ILE A 201
ALA A 205
LEU A 235
VAL A 236
ILE A 198
 None
 1.10A 4m2xG-4q76A:
undetectable		 4m2xG-4q76A:
20.05
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.
4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII

(Mycobacterium
ulcerans) 		PF01648
(ACPS) 		5 ALA A 155
LEU A  11
PRO A  12
VAL A  15
ILE A 113
 None
 0.88A 4m2xG-4qjlA:
undetectable		 4m2xG-4qjlA:
24.38
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 ILE A 298
LEU A 236
PRO A 237
VAL A 240
THR A 191
 None
 1.03A 4m2xG-4rcdA:
undetectable		 4m2xG-4rcdA:
15.25
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.
4x3f SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 ILE A  73
GLN A 130
LEU A 203
VAL A 200
ILE A 157
 None
 1.10A 4m2xG-4x3fA:
undetectable		 4m2xG-4x3fA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yeq LAMININ SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00052
(Laminin_B) 		5 ILE U 182
ILE U  19
LEU U  22
VAL U  23
ILE U 179
 None
 1.04A 4m2xG-4yeqU:
undetectable		 4m2xG-4yeqU:
24.02
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 ALA A 109
ILE A 162
LEU A 175
PRO A 176
ILE A  73
 None
 0.96A 4m2xG-5af3A:
undetectable		 4m2xG-5af3A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aza MALTOSE-BINDING
PERIPLASMIC
PROTEIN,OLIGOSACCHAR
YL TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Escherichia
coli;
Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ILE A 266
ALA A 105
LEU A  20
VAL A  23
ILE A  59
 None
 1.09A 4m2xG-5azaA:
undetectable		 4m2xG-5azaA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 ILE D 266
ALA D 105
LEU D  20
VAL D  23
ILE D  59
 None
 1.05A 4m2xG-5disD:
undetectable		 4m2xG-5disD:
15.21
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) 		5 ILE A   5
ALA A   7
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.34A 4m2xG-5dxvA:
13.7		 4m2xG-5dxvA:
30.05
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.
5e76 SUSD-LIKE PROTEIN
BACOVA_02651

(Bacteroides
ovatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ILE A 161
LEU A 535
ILE A 159
TYR A 148
THR A 111
 EDO  A 610 (-4.8A)
None
EDO  A 610 ( 4.5A)
None
None
 1.11A 4m2xG-5e76A:
undetectable		 4m2xG-5e76A:
15.24
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.
5gpp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD

(Danio rerio;
Escherichia
coli) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ILE A 267
ILE A 109
LEU A  21
VAL A  24
ILE A  60
 None
 0.95A 4m2xG-5gppA:
undetectable		 4m2xG-5gppA:
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.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ILE A 267
ALA A 106
LEU A  21
VAL A  24
ILE A  60
 None
 1.10A 4m2xG-5h7nA:
undetectable		 4m2xG-5h7nA:
16.53
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.
5hz7 COMP

(Neisseria
meningitidis) 		PF13416
(SBP_bac_8)
PF16732
(ComP_DUS) 		5 ILE A 267
ALA A 106
LEU A  21
VAL A  24
ILE A  60
 None
 1.10A 4m2xG-5hz7A:
undetectable		 4m2xG-5hz7A:
16.05
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.
5hzv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		5 ILE A 633
ALA A 472
LEU A 387
VAL A 390
ILE A 426
 None
 1.09A 4m2xG-5hzvA:
undetectable		 4m2xG-5hzvA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		5 ILE A4235
ALA A4074
LEU A3989
VAL A3992
ILE A4028
 None
 1.10A 4m2xG-5iicA:
undetectable		 4m2xG-5iicA:
15.55
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.
5iy7 TRANSCRIPTION
INITIATION FACTOR
IIB

(Homo sapiens) 		PF00382
(TFIIB)
PF08271
(TF_Zn_Ribbon) 		5 ILE M 235
ALA M 256
ILE M 274
GLN M 263
LEU M 224
 None
 1.08A 4m2xG-5iy7M:
undetectable		 4m2xG-5iy7M:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnk MITOCHONDRIAL
COMPLEX I, 39 KDA
SUBUNIT

(Ovis aries) 		no annotation 5 ILE d 132
ILE d 218
LEU d 303
VAL d 305
ILE d 166
 None
 0.96A 4m2xG-5lnkd:
undetectable		 4m2xG-5lnkd:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 6 ASP A  87
GLN A  91
PRO A 463
VAL A 461
ILE A 104
THR A 335
 ASP  A  87 ( 0.5A)
GLN  A  91 ( 0.6A)
PRO  A 463 ( 1.1A)
VAL  A 461 ( 0.6A)
ILE  A 104 ( 0.6A)
THR  A 335 ( 0.8A)
 1.21A 4m2xG-5nksA:
undetectable		 4m2xG-5nksA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 1.10A 4m2xG-5t0lA:
8.9		 4m2xG-5t0lA:
17.34
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
PRO A  88
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.0A)
None
73X  A 704 (-4.2A)
 0.37A 4m2xG-5t0lA:
8.9		 4m2xG-5t0lA:
17.34
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.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A 190
ALA A 136
ILE A 169
PRO A 131
ILE A 187
 None
 0.87A 4m2xG-5uf2A:
undetectable		 4m2xG-5uf2A:
23.88
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 ILE A1285
ALA A1266
LEU A1035
VAL A1042
THR A1265
 None
 1.00A 4m2xG-5wblA:
undetectable		 4m2xG-5wblA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ILE A 267
ALA A 106
LEU A  21
VAL A  24
ILE A  60
 None
 1.09A 4m2xG-5wq6A:
undetectable		 4m2xG-5wq6A:
16.18
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.
6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG

(Escherichia
coli;
Pseudomonas
phage JBD30) 		no annotation 5 ILE A 346
ALA A 185
LEU A 100
VAL A 103
ILE A 139
 None
 1.08A 4m2xG-6anvA:
undetectable		 4m2xG-6anvA:
15.89
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ILE A 266
ILE A 108
LEU A  20
VAL A  23
ILE A  59
 None
 0.91A 4m2xG-6apxA:
undetectable		 4m2xG-6apxA:
16.15
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A  73
GLN A 130
LEU A 203
VAL A 200
ILE A 157
 None
 1.05A 4m2xG-6b2qA:
undetectable		 4m2xG-6b2qA:
24.56
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.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ILE A 180
ALA A 126
ILE A 122
GLN A 124
ILE A 182
 None
 1.08A 4m2xG-6ci9A:
2.4		 4m2xG-6ci9A:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.31A 4m2xG-6cxmA:
9.0		 4m2xG-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
VAL A  55
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 4m2xG-6cxmA:
9.0		 4m2xG-6cxmA:
47.71
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.
6e29 -

(-) 		no annotation 5 ILE D 237
ALA D 213
ILE D 217
GLN D 234
ILE D 238
 None
 1.04A 4m2xG-6e29D:
undetectable		 4m2xG-6e29D:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 ILE A 707
LEU A 645
PRO A 646
VAL A 649
THR A 600
 None
 1.05A 4m2xG-6ej2A:
undetectable		 4m2xG-6ej2A:
20.75