SIMILAR PATTERNS OF AMINO ACIDS FOR 6BQ4_B_ADNB401

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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLN A 130
GLY A 255
ALA A 210
LEU A 189
ALA A 153
 None
 1.10A 6bq4B-1dabA:
undetectable		 6bq4B-1dabA:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.41A 6bq4B-1iy9A:
33.3		 6bq4B-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
 0.45A 6bq4B-1iy9A:
33.3		 6bq4B-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) 		5 GLN A  32
GLY A  85
ASP A 107
ASP A 109
VAL A 112
 None
 0.99A 6bq4B-1iy9A:
33.3		 6bq4B-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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 GLY A 315
ASP A 318
ILE A 355
VAL A 359
ALA A  30
 None
 0.98A 6bq4B-1jdpA:
undetectable		 6bq4B-1jdpA:
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.
1lnq POTASSIUM CHANNEL
RELATED PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 GLY A 122
ASP A 145
VAL A 148
ASP A 163
LEU A 185
 None
 1.08A 6bq4B-1lnqA:
5.7		 6bq4B-1lnqA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.65A 6bq4B-1lssA:
6.3		 6bq4B-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
 0.85A 6bq4B-1lthT:
5.0		 6bq4B-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) 		6 GLN A  30
GLY A  82
ILE A 105
ASP A 106
VAL A 109
ASP A 141
 None
 0.39A 6bq4B-1mjfA:
34.3		 6bq4B-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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN

(Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		6 GLN B 221
GLY A  41
ASP B  42
VAL B 298
ALA A  49
LEU B 217
 None
FES  A4908 (-4.3A)
None
None
None
FES  A4907 ( 4.1A)
 1.36A 6bq4B-1n60B:
undetectable		 6bq4B-1n60B:
7.74
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.
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
 0.47A 6bq4B-1ne2A:
13.2		 6bq4B-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) 		5 GLY A 222
ILE A 307
ASP A 308
ASP A 325
ALA A 326
 FAD  A 612 (-3.3A)
FAD  A 612 (-3.8A)
None
FAD  A 612 (-3.9A)
FAD  A 612 (-3.4A)
 1.09A 6bq4B-1poxA:
undetectable		 6bq4B-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.
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)
 0.66A 6bq4B-1poxA:
undetectable		 6bq4B-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)
 0.71A 6bq4B-1v5fA:
3.7		 6bq4B-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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 GLN A 255
ILE A  96
ALA A 245
ALA A 249
CYH A 266
 None
 1.10A 6bq4B-1wacA:
undetectable		 6bq4B-1wacA:
10.17
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  76
GLY A 128
ILE A 152
ASP A 153
ALA A 209
 None
 1.11A 6bq4B-1xj5A:
35.4		 6bq4B-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) 		6 GLN A  76
GLY A 128
ILE A 152
ASP A 153
VAL A 156
ASP A 182
 None
 0.31A 6bq4B-1xj5A:
35.4		 6bq4B-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
 1.32A 6bq4B-1ybwA:
undetectable		 6bq4B-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.
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
 0.41A 6bq4B-2b2cA:
31.0		 6bq4B-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
 1.01A 6bq4B-2ci6A:
undetectable		 6bq4B-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.
2e87 HYPOTHETICAL PROTEIN
PH1320

(Pyrococcus
horikoshii) 		PF06858
(NOG1) 		5 GLY A 179
ILE A 172
VAL A 286
ASP A 220
ALA A 186
 GDP  A 400 (-3.1A)
None
None
None
None
 1.04A 6bq4B-2e87A:
undetectable		 6bq4B-2e87A:
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.
2iye COPPER-TRANSPORTING
ATPASE

(Sulfolobus
solfataricus) 		PF00702
(Hydrolase) 		5 GLY A 589
ASP A 588
ALA A 604
LEU A 596
ALA A 595
 None
 1.04A 6bq4B-2iyeA:
2.6		 6bq4B-2iyeA:
14.52
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.
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
 0.98A 6bq4B-2nlxA:
undetectable		 6bq4B-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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		5 GLY A 553
ASP A 548
ILE A 549
VAL A 518
ALA A 558
 None
 1.10A 6bq4B-2nyfA:
undetectable		 6bq4B-2nyfA:
9.91
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.
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)
 0.57A 6bq4B-2panA:
undetectable		 6bq4B-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) 		5 GLN A  72
GLY A 124
ASP A 149
VAL A 152
ALA A 204
 S4M  A 501 (-3.5A)
S4M  A 501 (-3.4A)
None
S4M  A 501 ( 4.2A)
S4M  A 501 (-3.6A)
 1.03A 6bq4B-2pt6A:
35.9		 6bq4B-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) 		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)
 0.47A 6bq4B-2pt6A:
35.9		 6bq4B-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 GLY A 124
ILE A 148
ASP A 178
ALA A 179
PRO A 203
 S4M  A 501 (-3.4A)
S4M  A 501 (-3.9A)
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
S4M  A 501 (-4.1A)
 0.54A 6bq4B-2pt6A:
35.9		 6bq4B-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) 		6 GLY A  84
ASP A 110
ILE A 111
ASP A 112
VAL A 115
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
None
MPD  A 403 ( 4.6A)
SAM  A 400 (-3.4A)
 1.29A 6bq4B-2qe6A:
9.2		 6bq4B-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 392
ASP A 397
ASP A 396
ASP A 449
ALA A 409
 CA  A 619 (-4.2A)
CA  A 619 ( 2.2A)
None
None
None
 1.05A 6bq4B-2quaA:
undetectable		 6bq4B-2quaA:
7.64
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.
2r37 GLUTATHIONE
PEROXIDASE 3

(Homo sapiens) 		PF00255
(GSHPx) 		5 GLN A 133
GLY A  50
ASP A  49
ILE A  48
ALA A  45
 None
 1.09A 6bq4B-2r37A:
undetectable		 6bq4B-2r37A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.61A 6bq4B-2yr0A:
12.4		 6bq4B-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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  32
GLY A  84
ASP A 109
VAL A 112
ALA A 169
 None
 1.03A 6bq4B-2zsuA:
35.6		 6bq4B-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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLN A  32
GLY A  84
ILE A 108
ASP A 109
VAL A 112
ASP A 144
 None
 0.48A 6bq4B-2zsuA:
35.6		 6bq4B-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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLN A  32
ILE A 108
ASP A 109
VAL A 112
ASP A 144
PRO A 168
 None
 0.68A 6bq4B-2zsuA:
35.6		 6bq4B-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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 GLN A  33
GLY A  85
ASP A 108
ILE A 109
ASP A 110
ASP A 140
ALA A 141
LEU A 159
 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
 0.43A 6bq4B-3anxA:
40.4		 6bq4B-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) 		6 GLY A  85
ASP A 108
ILE A 109
VAL A 114
ASP A 140
ALA A 141
 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)
 1.20A 6bq4B-3anxA:
40.4		 6bq4B-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)
 0.72A 6bq4B-3c3yA:
13.1		 6bq4B-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.
3c5p PROTEIN BAS0735 OF
UNKNOWN FUNCTION

(Bacillus
anthracis) 		PF11579
(DUF3238) 		5 GLY A 149
ASP A 187
ASP A 128
ALA A 179
PRO A 125
 None
MG  A 302 (-3.2A)
MG  A 301 (-3.3A)
None
None
 1.10A 6bq4B-3c5pA:
undetectable		 6bq4B-3c5pA:
16.58
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.
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)
 0.47A 6bq4B-3c6mA:
23.3		 6bq4B-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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		6 GLY A 128
ASP A 149
ILE A 150
ASP A 151
VAL A 154
LEU A 192
 SAH  A 258 (-3.1A)
SAH  A 258 (-2.8A)
SAH  A 258 (-4.0A)
None
None
None
 0.89A 6bq4B-3cjtA:
13.0		 6bq4B-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 6bq4B-3ctpA:
3.1		 6bq4B-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
 0.46A 6bq4B-3dliA:
13.3		 6bq4B-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)
 0.59A 6bq4B-3e9yA:
3.7		 6bq4B-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
 0.80A 6bq4B-3fydA:
12.0		 6bq4B-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.
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
 0.53A 6bq4B-3gedA:
6.9		 6bq4B-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.
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 6bq4B-3gryA:
11.9		 6bq4B-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
 0.88A 6bq4B-3gvcA:
6.7		 6bq4B-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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ILE A 550
VAL A 103
ASP A 140
ALA A 141
ALA A 444
 None
None
None
GOL  A 586 ( 3.9A)
None
 1.07A 6bq4B-3h7lA:
undetectable		 6bq4B-3h7lA:
9.93
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.
3kxd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 122
ASP A 145
VAL A 148
ASP A 163
LEU A 185
 None
 1.08A 6bq4B-3kxdA:
5.8		 6bq4B-3kxdA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.88A 6bq4B-3lduA:
8.3		 6bq4B-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.
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
 0.88A 6bq4B-3ocjA:
12.4		 6bq4B-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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 GLY A 198
ILE A 196
VAL A 222
ALA A 173
PRO A 116
 HPA  A 260 (-3.3A)
None
None
None
None
 1.08A 6bq4B-3ozbA:
undetectable		 6bq4B-3ozbA:
16.81
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.
3pr4 DNA POLYMERASE IV

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 ILE A 153
VAL A 171
ASP A 156
ALA A 155
PRO A 184
 None
 0.98A 6bq4B-3pr4A:
undetectable		 6bq4B-3pr4A:
13.57
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.
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 6bq4B-3pvzA:
6.6		 6bq4B-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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		5 GLN A 541
ASP A 535
ALA A 532
LEU A 625
ALA A 622
 None
 1.04A 6bq4B-3qa8A:
undetectable		 6bq4B-3qa8A:
8.66
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.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 GLY A  57
ILE A  61
ALA A  65
PRO A 262
CYH A  36
 None
NAD  A 300 (-3.7A)
None
None
None
 1.06A 6bq4B-3r3sA:
6.5		 6bq4B-3r3sA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.93A 6bq4B-3rw9A:
33.4		 6bq4B-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)
 0.53A 6bq4B-3rw9A:
33.4		 6bq4B-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
PRO A 180
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-3.5A)
DSH  A 303 (-4.5A)
 0.71A 6bq4B-3rw9A:
33.4		 6bq4B-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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 GLY A 118
ILE A 135
ASP A 122
LEU A 182
ALA A 183
 None
 1.06A 6bq4B-3w9vA:
undetectable		 6bq4B-3w9vA:
11.97
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.
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)
 1.01A 6bq4B-3zu4A:
5.8		 6bq4B-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.
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)
 0.92A 6bq4B-4d5gA:
4.3		 6bq4B-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)
 0.94A 6bq4B-4df3A:
12.7		 6bq4B-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
 0.66A 6bq4B-4e6pA:
6.4		 6bq4B-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.
4f4z DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		no annotation 5 ILE B 153
VAL B 171
ASP B 156
ALA B 155
PRO B 184
 None
None
None
None
CA  B 402 ( 4.8A)
 1.03A 6bq4B-4f4zB:
undetectable		 6bq4B-4f4zB:
12.61
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.
4gek TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		5 GLY A  68
ASP A  62
ILE A  85
VAL A 130
LEU A  72
 None
GEK  A 302 ( 4.5A)
None
None
SO4  A 301 ( 4.0A)
 1.07A 6bq4B-4gekA:
12.1		 6bq4B-4gekA:
18.10
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLN A 360
GLY A 395
ALA A 392
LEU A 397
ALA A 398
 None
 0.97A 6bq4B-4kh3A:
undetectable		 6bq4B-4kh3A:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6bq4B-4krgA:
10.8		 6bq4B-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.
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)
 0.48A 6bq4B-4m73A:
10.9		 6bq4B-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.
4n9q FMN-DEPENDENT
NADH-AZOREDUCTASE 1

(Pseudomonas
aeruginosa) 		PF02525
(Flavodoxin_2) 		5 ILE A 142
ASP A 164
ALA A 140
LEU A 171
ALA A 170
 None
 1.08A 6bq4B-4n9qA:
undetectable		 6bq4B-4n9qA:
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.
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)
 0.96A 6bq4B-4necA:
9.1		 6bq4B-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.
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
 1.07A 6bq4B-4pj1A:
undetectable		 6bq4B-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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 221
ASP A 218
ALA A 224
LEU A 207
PRO A 243
 None
 1.08A 6bq4B-4q9dA:
undetectable		 6bq4B-4q9dA:
11.38
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  72
GLY A 124
ASP A 149
VAL A 152
ALA A 204
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.5A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.5A)
 1.06A 6bq4B-4uoeA:
36.0		 6bq4B-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 GLN A  72
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
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 (-3.2A)
MTA  A 401 (-3.6A)
 0.56A 6bq4B-4uoeA:
36.0		 6bq4B-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)
 0.85A 6bq4B-4uoeA:
36.0		 6bq4B-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 GLY A 124
ILE A 148
ASP A 178
ALA A 179
PRO A 203
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.1A)
 0.53A 6bq4B-4uoeA:
36.0		 6bq4B-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)
 0.69A 6bq4B-4uy6A:
10.8		 6bq4B-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.
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)
 0.63A 6bq4B-4wecA:
6.8		 6bq4B-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.
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
 0.75A 6bq4B-4xr9A:
5.8		 6bq4B-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)
 0.41A 6bq4B-4yv2A:
31.8		 6bq4B-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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  40
GLY A  96
ASP A 118
ASP A 120
VAL A 123
 S4M  A 301 (-3.4A)
S4M  A 301 ( 4.6A)
S4M  A 301 (-3.0A)
None
S4M  A 301 (-4.3A)
 1.05A 6bq4B-4yv2A:
31.8		 6bq4B-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
 0.79A 6bq4B-5czlA:
undetectable		 6bq4B-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.
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)
 0.80A 6bq4B-5ginE:
12.6		 6bq4B-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
 1.02A 6bq4B-5gw5b:
undetectable		 6bq4B-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
 0.77A 6bq4B-5ha5A:
6.9		 6bq4B-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
 0.81A 6bq4B-5itwA:
6.3		 6bq4B-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.
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)
 0.83A 6bq4B-5t5qA:
7.4		 6bq4B-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.
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)
 0.55A 6bq4B-5unaA:
10.0		 6bq4B-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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		5 GLY A  27
ILE A  41
VAL A  78
LEU A  31
ALA A  32
 None
 1.07A 6bq4B-5uscA:
6.5		 6bq4B-5uscA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ILE A 559
ASP A 560
VAL A 880
ALA A 525
LEU A 600
 None
 1.11A 6bq4B-5ux5A:
3.6		 6bq4B-5ux5A:
5.51
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.
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
 0.96A 6bq4B-5vm1A:
undetectable		 6bq4B-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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
ASP A  82
VAL A  87
ASP A 107
LEU A 128
 SAH  A 701 (-3.4A)
SAH  A 701 (-2.9A)
None
SAH  A 701 (-3.2A)
None
 1.07A 6bq4B-5wp4A:
11.9		 6bq4B-5wp4A:
13.10
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.
5xnc -

(-) 		no annotation 5 GLN A 127
ASP A 179
ILE A 180
ASP A 181
ASP A 206
 MTA  A 401 ( 3.8A)
MTA  A 401 (-2.8A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
 1.03A 6bq4B-5xncA:
9.3		 6bq4B-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.
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)
 0.75A 6bq4B-5xncA:
9.3		 6bq4B-5xncA:
undetectable
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 11 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
 None
TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
None
None
None
None
 0.60A 6bq4B-6bq6A:
50.0		 6bq4B-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 6bq4B-6bq6A:
50.0		 6bq4B-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 11 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
PRO A 187
CYH A 188
 TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
None
None
None
None
None
 0.63A 6bq4B-6bq6A:
50.0		 6bq4B-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 7 GLY A 106
ASP A 129
ILE A 130
VAL A 135
ASP A 160
ALA A 161
LEU A 179
 TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
None
 1.41A 6bq4B-6bq6A:
50.0		 6bq4B-6bq6A:
100.00