SIMILAR PATTERNS OF AMINO ACIDS FOR 6BQ4_A_ADNA401

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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  32
GLY A  84
ASP A 107
ILE A 108
ASP A 109
VAL A 112
ASP A 137
 None
 1.47A 6bq4A-1iy9A:
33.0		 6bq4A-1iy9A:
18.35
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  32
GLY A  84
ASP A 107
ILE A 108
ASP A 109
VAL A 112
ASP A 138
 None
 0.55A 6bq4A-1iy9A:
33.0		 6bq4A-1iy9A:
18.35
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.
1lss TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02254
(TrkA_N) 		5 GLY A   7
ASP A  30
ILE A  31
ASP A  32
ASP A  51
 NAD  A1001 (-3.1A)
NAD  A1001 (-2.9A)
NAD  A1001 (-4.1A)
None
NAD  A1001 (-3.3A)
 0.64A 6bq4A-1lssA:
6.2		 6bq4A-1lssA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 5 GLY T  66
ASP T  39
ASP T  69
ALA T  11
CYH T  73
 None
NAD  T 321 ( 2.8A)
None
None
None
 0.82A 6bq4A-1lthT:
5.0		 6bq4A-1lthT:
12.99
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  30
GLY A  82
ILE A 105
ASP A 106
VAL A 109
ASP A 141
LEU A 169
 None
 0.69A 6bq4A-1mjfA:
33.9		 6bq4A-1mjfA:
13.17
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A  56
ASP A  78
ILE A  79
ASP A  80
ASP A 100
 None
 0.46A 6bq4A-1ne2A:
13.1		 6bq4A-1ne2A:
14.78
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLY A 284
ASP A 306
ILE A 307
ASP A 308
ASP A 325
ALA A 326
 FAD  A 612 (-3.4A)
FAD  A 612 (-2.9A)
FAD  A 612 (-3.8A)
None
FAD  A 612 (-3.9A)
FAD  A 612 (-3.4A)
 0.63A 6bq4A-1poxA:
undetectable		 6bq4A-1poxA:
8.45
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLY A 279
ASP A 301
ILE A 302
ASP A 303
ASP A 320
ALA A 321
 FAD  A1601 (-3.5A)
FAD  A1601 (-3.0A)
FAD  A1601 (-3.9A)
None
FAD  A1601 (-3.8A)
FAD  A1601 (-3.5A)
 0.68A 6bq4A-1v5fA:
3.8		 6bq4A-1v5fA:
8.56
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLN A  76
GLY A 128
ILE A 152
ASP A 153
VAL A 156
ASP A 182
 None
 0.32A 6bq4A-1xj5A:
35.2		 6bq4A-1xj5A:
13.25
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
ILE A 152
ASP A 153
VAL A 156
LEU A 212
 None
 0.77A 6bq4A-1xj5A:
35.2		 6bq4A-1xj5A:
13.25
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.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		6 GLY A 541
ILE A 409
ASP A 544
VAL A 547
ASP A 592
ALA A 593
 None
 1.31A 6bq4A-1ybwA:
undetectable		 6bq4A-1ybwA:
19.21
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.
1yzh TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Streptococcus
pneumoniae) 		PF02390
(Methyltransf_4) 		5 GLY A  46
ASP A  69
ILE A  70
VAL A  74
LEU A 130
 None
 0.87A 6bq4A-1yzhA:
11.0		 6bq4A-1yzhA:
15.42
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.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  64
GLY A 116
ILE A 140
ASP A 141
VAL A 144
 None
 0.49A 6bq4A-2b2cA:
30.9		 6bq4A-2b2cA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 GLY A 140
ASP A 129
ASP A 126
ALA A 150
LEU A 141
 None
 1.00A 6bq4A-2ci6A:
undetectable		 6bq4A-2ci6A:
15.02
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.
2hzf GLUTAREDOXIN-1

(Ectromelia
virus) 		PF00462
(Glutaredoxin) 		5 ILE A  80
ASP A  85
LEU A  95
ALA A  94
LEU A  99
 None
 0.92A 6bq4A-2hzfA:
undetectable		 6bq4A-2hzfA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 205
ASP A 167
ASP A 170
LEU A 431
ALA A 428
 None
 0.95A 6bq4A-2nlxA:
undetectable		 6bq4A-2nlxA:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 278
ASP A 302
ILE A 303
ASP A 321
ALA A 322
 FAD  A 701 (-4.0A)
FAD  A 701 (-2.8A)
FAD  A 701 (-3.7A)
FAD  A 701 (-4.0A)
FAD  A 701 (-3.5A)
 0.60A 6bq4A-2panA:
3.2		 6bq4A-2panA:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  72
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
ALA A 179
 S4M  A 501 (-3.5A)
S4M  A 501 (-3.4A)
S4M  A 501 (-3.9A)
None
S4M  A 501 ( 4.2A)
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
 0.56A 6bq4A-2pt6A:
35.8		 6bq4A-2pt6A:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  72
ILE A 148
ASP A 149
ALA A 179
LEU A 207
 S4M  A 501 (-3.5A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-3.5A)
S4M  A 501 (-4.4A)
 1.00A 6bq4A-2pt6A:
35.8		 6bq4A-2pt6A:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 124
ILE A 148
ASP A 149
ASP A 178
ALA A 179
LEU A 207
 S4M  A 501 (-3.4A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
S4M  A 501 (-4.4A)
 0.62A 6bq4A-2pt6A:
35.8		 6bq4A-2pt6A:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
ASP A 110
ILE A 111
ASP A 112
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
None
SAM  A 400 (-3.4A)
 0.44A 6bq4A-2qe6A:
9.1		 6bq4A-2qe6A:
12.50
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 ILE A 149
ASP A 151
ALA A 116
ALA A 251
LEU A 257
 None
 0.91A 6bq4A-2qhpA:
3.1		 6bq4A-2qhpA:
16.25
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 GLY A 178
ASP A 310
LEU A 174
ALA A 298
LEU A 172
 None
 1.02A 6bq4A-2rauA:
2.0		 6bq4A-2rauA:
13.20
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.
2woz KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 10

(Rattus
norvegicus) 		PF01344
(Kelch_1) 		5 GLY A 548
ILE A 568
ALA A 546
ALA A 591
CYH A 593
 None
 0.99A 6bq4A-2wozA:
undetectable		 6bq4A-2wozA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wui TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 ASP A 168
ALA A 188
LEU A 174
ALA A 175
LEU A 180
 None
 0.97A 6bq4A-2wuiA:
undetectable		 6bq4A-2wuiA:
17.73
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.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLN A 222
ALA A 258
LEU A 246
ALA A 245
LEU A 250
 None
 1.03A 6bq4A-2yq4A:
6.6		 6bq4A-2yq4A:
13.66
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLY A  47
ASP A  68
ASP A  70
ALA A  95
LEU A 113
 None
 0.60A 6bq4A-2yr0A:
12.0		 6bq4A-2yr0A:
15.86
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ASP A 291
ASP A 293
ASP A 318
ALA A 319
LEU A 371
 SFG  A5748 (-2.9A)
None
SFG  A5748 (-3.7A)
SFG  A5748 (-3.4A)
None
 0.83A 6bq4A-2yxlA:
11.3		 6bq4A-2yxlA:
11.47
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  32
GLY A  84
ILE A 108
ASP A 109
VAL A 112
ASP A 144
LEU A 172
 None
 0.77A 6bq4A-2zsuA:
35.3		 6bq4A-2zsuA:
16.43
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 GLY A   7
ASP A  29
ASP A  48
ALA A  49
LEU A  69
LEU A  73
 NAD  A1001 ( 3.8A)
NAD  A1001 (-2.9A)
NAD  A1001 (-3.4A)
NAD  A1001 (-4.0A)
NAD  A1001 (-4.8A)
NAD  A1001 (-4.7A)
 1.48A 6bq4A-3abiA:
4.2		 6bq4A-3abiA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		9 GLN A  33
GLY A  85
ASP A 108
ILE A 109
ASP A 110
ASP A 140
ALA A 141
LEU A 159
LEU A 172
 MTA  A 315 (-3.7A)
MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
None
MTA  A 315 (-4.3A)
 0.57A 6bq4A-3anxA:
40.3		 6bq4A-3anxA:
14.04
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLY A  85
ASP A 108
ILE A 109
VAL A 114
ASP A 140
ALA A 141
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
MTA  A 315 (-4.3A)
 1.21A 6bq4A-3anxA:
40.3		 6bq4A-3anxA:
14.04
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
ASP A 102
ASP A 104
ASP A 130
ALA A 131
 SAH  A 464 (-3.7A)
SAH  A 464 (-2.8A)
None
SAH  A 464 (-4.1A)
SAH  A 464 (-3.5A)
 0.71A 6bq4A-3c3yA:
13.2		 6bq4A-3c3yA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A 148
GLY A 198
ILE A 221
ASP A 222
VAL A 225
ASP A 255
LEU A 277
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
MTA  A 401 (-3.6A)
MTA  A 401 ( 4.4A)
 0.54A 6bq4A-3c6mA:
23.0		 6bq4A-3c6mA:
11.87
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
ASP A  74
ASP A  76
ASP A  96
LEU A 120
 NHE  A 195 (-3.2A)
NHE  A 195 (-3.6A)
None
NHE  A 195 (-4.3A)
EDO  A 197 (-4.0A)
 1.02A 6bq4A-3cggA:
11.1		 6bq4A-3cggA:
15.90
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		7 GLY A 128
ASP A 149
ILE A 150
ASP A 151
VAL A 154
LEU A 192
LEU A 196
 SAH  A 258 (-3.1A)
SAH  A 258 (-2.8A)
SAH  A 258 (-4.0A)
None
None
None
SAH  A 258 (-4.6A)
 1.05A 6bq4A-3cjtA:
12.9		 6bq4A-3cjtA:
13.64
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.
3ctp PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Alkaliphilus
metalliredigens) 		PF13377
(Peripla_BP_3) 		6 ASP A 155
ILE A 312
VAL A 315
ASP A 310
LEU A 189
ALA A 186
 None
None
None
None
None
XLF  A 401 ( 3.9A)
 1.43A 6bq4A-3ctpA:
4.1		 6bq4A-3ctpA:
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
ASP A 311
ILE A 312
ASP A 330
ALA A 331
 None
 0.45A 6bq4A-3dliA:
13.2		 6bq4A-3dliA:
13.66
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 371
ASP A 395
ILE A 396
ASP A 397
ASP A 414
 FAB  A 701 (-3.5A)
FAB  A 701 (-3.0A)
FAB  A 701 (-3.8A)
None
FAB  A 701 (-4.0A)
 0.57A 6bq4A-3e9yA:
3.7		 6bq4A-3e9yA:
10.41
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
ILE A  60
ASP A  61
ASP A  84
ALA A  85
 None
 0.77A 6bq4A-3fydA:
12.2		 6bq4A-3fydA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 114
ASP A 137
ILE A 138
ASP A 139
LEU A 185
 SAM  A 300 (-3.5A)
SAM  A 300 (-2.9A)
SAM  A 300 (-3.7A)
None
None
 0.57A 6bq4A-3fzgA:
8.4		 6bq4A-3fzgA:
18.97
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A   9
ASP A  33
ILE A  34
ASP A  35
ASP A  55
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.59A 6bq4A-3gedA:
6.3		 6bq4A-3gedA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 GLY A 185
VAL A 210
LEU A 187
ALA A 188
LEU A  16
 PO4  A 249 (-4.8A)
None
None
None
None
 1.01A 6bq4A-3gk3A:
6.7		 6bq4A-3gk3A:
15.08
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
ILE A  60
ASP A  61
ASP A  84
ALA A  85
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.58A 6bq4A-3gryA:
11.8		 6bq4A-3gryA:
12.24
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  36
ASP A  60
ILE A  61
ASP A  62
ASP A  83
 None
 0.94A 6bq4A-3gvcA:
6.9		 6bq4A-3gvcA:
12.69
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.
3l2b PROBABLE
MANGANASE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Clostridium
perfringens) 		PF00571
(CBS)
PF07085
(DRTGG) 		5 ASP A 189
ALA A 168
LEU A 197
ALA A 195
LEU A 175
 None
 1.02A 6bq4A-3l2bA:
undetectable		 6bq4A-3l2bA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		5 GLY A  74
ASP A  95
ILE A  96
ASP A 123
ALA A 144
 SAH  A 300 (-3.5A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.8A)
SAH  A 300 ( 3.9A)
 0.73A 6bq4A-3lccA:
11.3		 6bq4A-3lccA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 261
ILE A 262
ASP A 263
ASP A 289
ALA A 290
 GTP  A 383 (-3.0A)
GTP  A 383 (-4.2A)
None
GTP  A 383 ( 3.8A)
GTP  A 383 (-3.7A)
 0.86A 6bq4A-3lduA:
8.4		 6bq4A-3lduA:
12.04
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.
3ljy PUTATIVE ADHESIN

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		5 ASP A 192
ALA A 168
LEU A 206
ALA A 203
LEU A 166
 None
 1.00A 6bq4A-3ljyA:
undetectable		 6bq4A-3ljyA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 176
ASP A 199
ILE A 200
ASP A 201
ALA A 249
 NAI  A 601 (-3.4A)
NAI  A 601 (-2.9A)
NAI  A 601 (-4.2A)
None
NAI  A 601 (-3.6A)
 0.82A 6bq4A-3meqA:
6.1		 6bq4A-3meqA:
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.
3nwi ZINC TRANSPORT
PROTEIN ZNTB

(Salmonella
enterica) 		PF01544
(CorA) 		5 GLY A   8
ILE A   6
LEU A  31
CYH A  43
LEU A  21
 None
 1.02A 6bq4A-3nwiA:
undetectable		 6bq4A-3nwiA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		5 ASP A 147
ASP A 149
ASP A 175
ALA A 176
LEU A 193
 None
 0.92A 6bq4A-3ocjA:
12.4		 6bq4A-3ocjA:
14.05
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.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 GLY A  39
ASP A  64
ILE A  65
ASP A  94
ALA A 118
 NAD  A 501 ( 3.7A)
NAD  A 501 (-2.6A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.3A)
NAD  A 501 (-3.4A)
 1.02A 6bq4A-3pvzA:
6.7		 6bq4A-3pvzA:
12.69
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  18
ASP A  44
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-2.9A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 0.96A 6bq4A-3q2iA:
4.7		 6bq4A-3q2iA:
12.98
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  49
GLY A 101
ASP A 126
VAL A 129
ALA A 181
 DSH  A 303 (-3.6A)
DSH  A 303 (-3.4A)
None
DSH  A 303 (-4.5A)
DSH  A 303 (-3.8A)
 0.98A 6bq4A-3rw9A:
33.3		 6bq4A-3rw9A:
13.38
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLN A  49
GLY A 101
ILE A 125
ASP A 126
VAL A 129
ASP A 155
 DSH  A 303 (-3.6A)
DSH  A 303 (-3.4A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-4.5A)
DSH  A 303 (-3.5A)
 0.61A 6bq4A-3rw9A:
33.3		 6bq4A-3rw9A:
13.38
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
ILE A 125
ASP A 126
ASP A 155
LEU A 184
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-3.5A)
DSH  A 303 (-4.2A)
 0.63A 6bq4A-3rw9A:
33.3		 6bq4A-3rw9A:
13.38
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.
3v71 PUF (PUMILIO/FBF)
DOMAIN-CONTAINING
PROTEIN 7, CONFIRMED
BY TRANSCRIPT
EVIDENCE

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 GLY A 442
ASP A 447
LEU A 436
ALA A 433
LEU A 382
 None
 0.99A 6bq4A-3v71A:
undetectable		 6bq4A-3v71A:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w34 URIDINE KINASE

(Thermus
thermophilus) 		PF00485
(PRK) 		5 VAL A 184
ALA A 201
LEU A  26
ALA A  25
LEU A  30
 None
 1.01A 6bq4A-3w34A:
undetectable		 6bq4A-3w34A:
12.80
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A  48
ASP A 111
ALA A 112
LEU A 139
ALA A 140
 NAI  A1400 ( 3.4A)
NAI  A1400 (-3.9A)
NAI  A1400 (-3.3A)
NAI  A1400 (-4.5A)
ZU4  A1401 ( 3.3A)
 1.02A 6bq4A-3zu4A:
5.2		 6bq4A-3zu4A:
10.86
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 ILE A  90
ASP A  87
LEU A  99
ALA A 195
LEU A 129
 None
 1.03A 6bq4A-4bpsA:
undetectable		 6bq4A-4bpsA:
12.08
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLY A 279
ASP A 302
ASP A 304
VAL A 307
ASP A 321
ALA A 322
 FAD  A1588 (-3.5A)
FAD  A1588 (-2.9A)
FAD  A1588 (-4.8A)
FAD  A1588 ( 4.6A)
FAD  A1588 (-3.9A)
FAD  A1588 (-3.7A)
 1.00A 6bq4A-4d5gA:
4.0		 6bq4A-4d5gA:
9.00
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 GLY A  85
VAL A 114
ASP A 134
ALA A 135
ALA A 156
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.2A)
 0.93A 6bq4A-4df3A:
12.7		 6bq4A-4df3A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ILE A  38
ASP A  39
ASP A  60
 None
 0.70A 6bq4A-4e6pA:
6.5		 6bq4A-4e6pA:
14.05
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		5 GLY A 293
ALA A 289
LEU A 366
ALA A 363
LEU A 372
 None
None
None
EDO  A 814 ( 3.8A)
None
 1.01A 6bq4A-4fusA:
undetectable		 6bq4A-4fusA:
8.99
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		5 GLY A 260
ALA A 256
LEU A 335
ALA A 332
LEU A 341
 None
 0.99A 6bq4A-4jjjA:
undetectable		 6bq4A-4jjjA:
7.98
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A  59
ASP A  80
ASP A 105
ALA A 106
LEU A 124
 SAH  A 502 (-3.6A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.0A)
SAH  A 502 (-3.4A)
None
 0.79A 6bq4A-4krgA:
10.8		 6bq4A-4krgA:
9.66
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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		5 GLY A 210
ILE A 206
LEU A 181
ALA A 179
LEU A 104
 None
 1.03A 6bq4A-4lheA:
2.1		 6bq4A-4lheA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLY A 166
ASP A 189
ILE A 190
ASP A 217
ALA A 218
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.5A)
 0.52A 6bq4A-4m73A:
10.9		 6bq4A-4m73A:
15.90
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
ASP A  68
ASP A  94
ALA A  95
LEU A 113
 SAH  A 401 (-3.9A)
SAH  A 401 (-2.8A)
SAH  A 401 ( 3.6A)
SAH  A 401 (-3.2A)
SAH  A 401 (-4.1A)
 0.93A 6bq4A-4necA:
9.8		 6bq4A-4necA:
15.75
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A   5
VAL A 136
LEU A 300
ALA A 312
LEU A 298
 None
 1.02A 6bq4A-4nhdA:
undetectable		 6bq4A-4nhdA:
13.92
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		6 ILE A 161
ASP A 185
VAL A 382
ASP A 164
ALA A 165
ALA A 400
 None
 1.08A 6bq4A-4pj1A:
undetectable		 6bq4A-4pj1A:
8.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 5 VAL C 143
ALA C 163
LEU C 104
ALA C  72
LEU C 102
 None
 1.01A 6bq4A-4ptzC:
undetectable		 6bq4A-4ptzC:
19.89
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLN A  72
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ALA A 179
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.6A)
 0.59A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  72
ILE A 148
ASP A 149
ALA A 179
LEU A 207
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.94A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
ALA A 179
LEU A 207
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.65A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLY A  86
ASP A 113
ASP A 115
VAL A 118
ASP A 141
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.0A)
None
None
SAH  A 801 (-3.7A)
 0.75A 6bq4A-4uy6A:
10.8		 6bq4A-4uy6A:
12.34
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		5 GLY A 223
ALA A 200
LEU A   9
ALA A 244
LEU A 213
 None
 0.99A 6bq4A-4wd0A:
undetectable		 6bq4A-4wd0A:
16.19
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ILE A  41
ASP A  42
ASP A  61
 NAD  A 301 (-3.1A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
 0.66A 6bq4A-4wecA:
6.9		 6bq4A-4wecA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 ASP B  67
ALA B  65
LEU B 176
ALA B 172
LEU B 298
 None
 0.90A 6bq4A-4wj3B:
undetectable		 6bq4A-4wj3B:
12.17
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A  62
ALA A  66
LEU A 172
ALA A 171
CYH A  26
 None
 0.79A 6bq4A-4xr9A:
5.3		 6bq4A-4xr9A:
10.93
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 GLN A  40
GLY A  95
ASP A 118
ILE A 119
ASP A 120
VAL A 123
ASP A 149
 S4M  A 301 (-3.4A)
S4M  A 301 (-3.5A)
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
None
S4M  A 301 (-4.3A)
S4M  A 301 (-3.9A)
 0.51A 6bq4A-4yv2A:
31.7		 6bq4A-4yv2A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czl GLUCANASE

(Raoultella
ornithinolytica) 		PF01270
(Glyco_hydro_8) 		5 GLY A 210
ASP A 209
ALA A 136
LEU A 206
ALA A 205
 None
 0.81A 6bq4A-5czlA:
undetectable		 6bq4A-5czlA:
18.67
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 208
ILE A 209
ASP A 235
ALA A 236
LEU A 271
 SAM  A 400 (-2.8A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.5A)
None
 0.91A 6bq4A-5e72A:
12.9		 6bq4A-5e72A:
12.90
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		5 GLY E  84
VAL E 113
ASP E 133
ALA E 134
ALA E 155
 SAH  E 301 (-3.8A)
None
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
U  G  25 (-3.8A)
 0.77A 6bq4A-5ginE:
12.7		 6bq4A-5ginE:
18.67
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLN b 393
GLY b  91
ASP b  90
VAL b 390
ALA b 496
 None
 0.98A 6bq4A-5gw5b:
undetectable		 6bq4A-5gw5b:
10.60
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
ASP A  45
ILE A  46
ASP A  47
ASP A  71
 None
 0.83A 6bq4A-5ha5A:
6.6		 6bq4A-5ha5A:
14.40
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ILE A  39
ASP A  40
ASP A  62
 None
 0.86A 6bq4A-5itwA:
7.0		 6bq4A-5itwA:
17.39
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 GLY A 399
VAL A 528
LEU A 458
ALA A 455
LEU A 305
 None
 0.93A 6bq4A-5jxkA:
undetectable		 6bq4A-5jxkA:
8.09
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 ASP A 557
ASP A 563
ALA A 562
LEU A 384
LEU A 380
 None
 1.02A 6bq4A-5m7rA:
undetectable		 6bq4A-5m7rA:
6.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  40
ASP A  63
ALA A  64
 NAD  A 300 ( 3.8A)
NAD  A 300 (-2.7A)
None
NAD  A 300 (-3.5A)
NAD  A 300 (-3.4A)
 0.81A 6bq4A-5t5qA:
7.4		 6bq4A-5t5qA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uic TWO-COMPONENT
RESPONSE REGULATOR

(Francisella
tularensis) 		PF00072
(Response_reg) 		5 ILE A  76
VAL A  73
LEU A   5
ALA A   6
LEU A  16
 None
 1.02A 6bq4A-5uicA:
3.5		 6bq4A-5uicA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		5 GLY A 451
ASP A 474
ILE A 475
ASP A 476
LEU A 583
 SAH  A 701 (-3.2A)
SAH  A 701 (-2.8A)
SAH  A 701 (-3.8A)
None
SAH  A 701 (-4.4A)
 0.53A 6bq4A-5unaA:
10.0		 6bq4A-5unaA:
14.78
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 206
ASP A 168
ASP A 171
LEU A 432
ALA A 429
 None
 0.93A 6bq4A-5vm1A:
undetectable		 6bq4A-5vm1A:
13.60
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.
5xnc -

(-) 		no annotation 5 GLY A 157
ASP A 179
ILE A 180
ASP A 181
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-2.8A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
 0.77A 6bq4A-5xncA:
9.0		 6bq4A-5xncA:
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 GLN A1613
ASP A1699
LEU A1684
ALA A1681
LEU A1662
 None
 0.86A 6bq4A-5zalA:
3.9		 6bq4A-5zalA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 12 GLN A  54
GLY A 106
ASP A 129
ILE A 130
ASP A 131
VAL A 134
ASP A 160
ALA A 161
LEU A 179
ALA A 180
CYH A 188
LEU A 191
 None
TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
None
None
None
None
None
 0.47A 6bq4A-6bq6A:
50.6		 6bq4A-6bq6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 6 GLN A  54
GLY A 107
ASP A 129
ASP A 131
VAL A 134
ALA A 180
 None
CL  A 401 (-3.7A)
TER  A 402 ( 4.4A)
None
None
None
 1.14A 6bq4A-6bq6A:
50.6		 6bq4A-6bq6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 8 GLY A 106
ASP A 129
ILE A 130
VAL A 135
ASP A 160
ALA A 161
LEU A 179
LEU A 191
 TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
None
None
 1.43A 6bq4A-6bq6A:
50.6		 6bq4A-6bq6A:
100.00
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.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 5 GLY A  16
ASP A  41
LEU A  37
ALA A  60
LEU A  52
 None
 0.92A 6bq4A-6d9yA:
7.4		 6bq4A-6d9yA:
18.75