SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGH_A_SAMA401

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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 SER A  27
GLY A  58
ASP A  96
ASP A 185
ILE A  20
 None
None
None
None
SO4  A 283 ( 4.8A)
 1.13A 4pghA-1ajzA:
undetectable		 4pghA-1ajzA:
22.66
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   9
GLY A  10
THR A  18
ASP A  33
ASP A  66
 NAI  A 400 (-3.3A)
None
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
 0.69A 4pghA-1ek6A:
5.8		 4pghA-1ek6A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		9 GLY A 196
GLY A 197
THR A 202
ASP A 219
VAL A 223
ASP A 239
MET A 240
LYS A 253
ILE A 255
 SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
None
SAH  A1699 (-2.9A)
None
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
 0.46A 4pghA-1fp2A:
28.2		 4pghA-1fp2A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 196
GLY A 197
THR A 202
VAL A 224
ASP A 239
MET A 240
LYS A 253
ILE A 255
 SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
None
None
SAH  A1699 (-3.8A)
SAH  A1699 (-4.0A)
SAH  A1699 (-2.7A)
SAH  A1699 (-4.9A)
 1.04A 4pghA-1fp2A:
28.2		 4pghA-1fp2A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 217
GLY A 218
ASP A 240
LEU A 241
VAL A 244
ASP A 260
MET A 261
LYS A 274
 SAM  A1699 (-3.6A)
None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-4.7A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
SAM  A1699 (-4.4A)
 0.57A 4pghA-1fpqA:
13.5		 4pghA-1fpqA:
38.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 219
ASP A 240
LEU A 241
ASP A 260
MET A 261
 None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-3.9A)
 1.12A 4pghA-1fpqA:
13.5		 4pghA-1fpqA:
38.67
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  21
THR A  29
ASP A  44
ASP A  72
 NAD  A1268 (-3.4A)
None
None
NAD  A1268 (-2.7A)
NAD  A1268 (-3.5A)
 0.96A 4pghA-1iy8A:
6.0		 4pghA-1iy8A:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 SER A 184
GLY A 208
ASP A 231
LEU A 232
VAL A 235
LYS A 265
 None
 1.09A 4pghA-1kywA:
43.2		 4pghA-1kywA:
59.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		10 SER A 184
GLY A 208
GLY A 209
ASP A 231
LEU A 232
VAL A 235
ASP A 251
MET A 252
LYS A 265
ILE A 267
 None
 0.56A 4pghA-1kywA:
43.2		 4pghA-1kywA:
59.95
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.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   7
GLY A   8
THR A  16
ASP A  31
ASP A  58
 NAD  A 340 (-3.5A)
None
None
NAD  A 340 (-2.7A)
NAD  A 340 (-3.0A)
 0.82A 4pghA-1lrkA:
6.0		 4pghA-1lrkA:
21.08
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.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A   8
GLY A   9
THR A  17
ASP A  32
ASP A  75
 NAD  A 401 (-3.3A)
None
None
NAD  A 401 (-2.8A)
NAD  A 401 (-3.5A)
 0.83A 4pghA-1qrrA:
5.5		 4pghA-1qrrA:
20.90
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		6 GLY A  17
GLY A  18
THR A  26
ASP A  41
LEU A  42
ASP A  64
 NA  A 302 (-3.6A)
None
None
None
None
None
 1.32A 4pghA-1so8A:
6.6		 4pghA-1so8A:
22.99
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A   9
GLY A  10
ASP A  33
LEU A  34
ASP A  47
 ADN  A1001 (-3.5A)
None
ADN  A1001 (-2.9A)
ADN  A1001 (-4.3A)
ADN  A1001 (-2.9A)
 0.54A 4pghA-1uayA:
5.4		 4pghA-1uayA:
22.38
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.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 GLY A 377
THR A  72
LEU A 152
VAL A 125
ILE A 419
 None
 1.14A 4pghA-1v6cA:
undetectable		 4pghA-1v6cA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 178
LEU A 201
ASP A 227
ILE A 244
 SAH  A4261 (-3.8A)
SAH  A4261 ( 4.2A)
SAH  A4261 (-4.0A)
SAH  A4261 (-2.9A)
None
 0.70A 4pghA-1x1bA:
18.2		 4pghA-1x1bA:
23.71
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 GLY A  18
GLY A  19
THR A  27
ASP A  42
ASP A  69
 NAD  A 703 (-3.4A)
None
None
NAD  A 703 (-2.7A)
NAD  A 703 (-3.4A)
 0.90A 4pghA-1z45A:
5.9		 4pghA-1z45A:
19.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 207
GLY A 208
ASP A 230
VAL A 234
ASP A 250
MET A 251
LYS A 264
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
SAH  A3994 (-2.7A)
 0.45A 4pghA-1zgjA:
32.5		 4pghA-1zgjA:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 207
GLY A 208
THR A 214
ASP A 230
VAL A 234
ASP A 250
MET A 251
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
None
SAH  A3994 (-2.8A)
None
SAH  A3994 (-3.4A)
SAH  A3994 (-3.6A)
 1.37A 4pghA-1zgjA:
32.5		 4pghA-1zgjA:
30.79
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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		5 GLY A  23
GLY A  24
THR A  32
ASP A  47
ASP A  72
 None
 1.10A 4pghA-2bgkA:
6.7		 4pghA-2bgkA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		5 GLY A 164
GLY A 173
ASP A 169
VAL A 138
ASP A 128
 None
 1.00A 4pghA-2czqA:
undetectable		 4pghA-2czqA:
21.35
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  14
ASP A  37
LEU A  38
ASP A  57
 NAD  A1001 (-3.5A)
None
NAD  A1001 (-2.8A)
NAD  A1001 (-4.2A)
NAD  A1001 (-4.3A)
 0.97A 4pghA-2d1yA:
6.3		 4pghA-2d1yA:
22.52
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.
2ehp AQ_1627 PROTEIN

(Aquifex
aeolicus) 		no annotation 5 GLY A  29
GLY A  62
LEU A  47
VAL A  70
ILE A  28
 None
 1.13A 4pghA-2ehpA:
undetectable		 4pghA-2ehpA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  15
ASP A  38
LEU A  39
ASP A  62
 NAD  A 257 (-3.3A)
None
NAD  A 257 (-2.8A)
NAD  A 257 (-4.1A)
NAD  A 257 (-3.5A)
 0.61A 4pghA-2ewmA:
undetectable		 4pghA-2ewmA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  15
ASP A  38
LEU A  39
VAL A  40
 NAD  A 257 (-3.3A)
None
NAD  A 257 (-2.8A)
NAD  A 257 (-4.1A)
NAD  A 257 ( 4.7A)
 0.59A 4pghA-2ewmA:
undetectable		 4pghA-2ewmA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A 138
GLY A 139
VAL A 145
ASP A 135
ILE A 228
 FAD  A 525 ( 4.4A)
None
None
None
FAD  A 525 (-4.0A)
 0.96A 4pghA-2exrA:
undetectable		 4pghA-2exrA:
22.91
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 451
GLY A 485
THR A 488
ASP A 484
ILE A 457
 None
 1.15A 4pghA-2g3nA:
undetectable		 4pghA-2g3nA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 175
GLY A 176
ASP A 198
ASP A 225
MET A 226
ILE A 242
 None
 0.36A 4pghA-2ip2A:
13.7		 4pghA-2ip2A:
27.47
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 177
ASP A 198
ASP A 225
MET A 226
ILE A 242
 None
 1.07A 4pghA-2ip2A:
13.7		 4pghA-2ip2A:
27.47
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.
2koj PARTITIONING
DEFECTIVE 3 HOMOLOG

(Mus musculus) 		PF00595
(PDZ) 		5 GLY A 484
GLY A 483
THR A 481
VAL A 527
ASP A 518
 None
 1.11A 4pghA-2kojA:
undetectable		 4pghA-2kojA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 GLY A  66
ASP A  88
VAL A  93
ASP A 113
LYS A 130
 SAH  A 301 (-3.8A)
SAH  A 301 (-2.9A)
None
SAH  A 301 (-3.1A)
SAH  A 301 (-2.6A)
 1.03A 4pghA-2pxxA:
14.2		 4pghA-2pxxA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 201
GLY A 202
THR A 207
ASP A 224
VAL A 228
ASP A 244
MET A 245
LYS A 258
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 (-4.0A)
SAH  A 601 (-2.9A)
SAH  A 601 ( 4.9A)
SAH  A 601 (-3.5A)
SAH  A 601 (-3.9A)
SAH  A 601 (-2.6A)
 0.34A 4pghA-2qyoA:
35.3		 4pghA-2qyoA:
28.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 201
GLY A 202
THR A 207
VAL A 229
ASP A 244
MET A 245
LYS A 258
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 (-4.0A)
None
SAH  A 601 (-3.5A)
SAH  A 601 (-3.9A)
SAH  A 601 (-2.6A)
 1.10A 4pghA-2qyoA:
35.3		 4pghA-2qyoA:
28.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 GLY A 316
ASP A 334
LEU A 335
ASP A 346
MET A 347
 SAH  A 900 (-3.5A)
SAH  A 900 (-2.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
SAH  A 900 (-3.6A)
 0.52A 4pghA-2zfuA:
7.5		 4pghA-2zfuA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 GLY A 318
ASP A 334
LEU A 335
ASP A 346
MET A 347
 SAH  A 900 ( 3.7A)
SAH  A 900 (-2.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
SAH  A 900 (-3.6A)
 0.92A 4pghA-2zfuA:
7.5		 4pghA-2zfuA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
GLY C  10
ASP C  33
LEU C  34
ASP C  61
 NAD  C4300 (-3.6A)
None
NAD  C4300 (-3.0A)
NAD  C4300 ( 4.4A)
NAD  C4300 (-3.7A)
 0.50A 4pghA-3a28C:
6.0		 4pghA-3a28C:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  17
ASP A  40
LEU A  41
ASP A  63
 NAD  A 901 (-3.6A)
None
NAD  A 901 (-2.8A)
NAD  A 901 (-3.9A)
NAD  A 901 (-3.8A)
 0.73A 4pghA-3ak4A:
5.1		 4pghA-3ak4A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 SER A  55
GLY A  85
GLY A  86
ASP A 108
ASP A 140
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.05A 4pghA-3anxA:
10.9		 4pghA-3anxA:
21.89
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 199
GLY A 200
ASP A 201
LEU A 170
ILE A 196
 MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
SPM  A 501 ( 3.8A)
SPM  A 501 ( 4.3A)
None
 1.13A 4pghA-3c6mA:
12.0		 4pghA-3c6mA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
ASP A  60
LEU A  61
ASP A  86
MET A  87
 None
 0.91A 4pghA-3d2lA:
16.6		 4pghA-3d2lA:
24.10
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 GLY A  89
GLY A  88
LEU A 109
VAL A 132
ILE A  40
 None
 1.06A 4pghA-3d7lA:
5.5		 4pghA-3d7lA:
21.37
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 SER A  20
GLY A  46
ASP A  67
LEU A  68
ASP A  83
 SAM  A   1 ( 4.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-2.7A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.6A)
 1.11A 4pghA-3douA:
11.0		 4pghA-3douA:
18.26
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.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		5 SER A 164
GLY A 187
GLY A 188
ASP A 210
LEU A 211
 None
 1.14A 4pghA-3dp7A:
21.3		 4pghA-3dp7A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  11
GLY A  12
THR A  20
ASP A  35
ASP A  62
 NAD  A 341 (-3.4A)
None
None
NAD  A 341 (-2.7A)
NAD  A 341 (-3.6A)
 0.80A 4pghA-3enkA:
5.8		 4pghA-3enkA:
23.31
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 191
VAL A 217
ASP A 240
LYS A 255
 SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 ( 4.7A)
SAH  A 350 (-3.4A)
SAH  A 350 (-2.6A)
 0.55A 4pghA-3gxoA:
29.1		 4pghA-3gxoA:
26.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		8 SER A 166
GLY A 189
GLY A 190
ASP A 212
VAL A 216
ASP A 237
LYS A 251
ILE A 253
 SAH  A 346 (-2.9A)
SAH  A 346 (-4.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.0A)
None
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
 0.79A 4pghA-3lstA:
18.5		 4pghA-3lstA:
27.73
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		6 SER A 166
GLY A 191
ASP A 212
ASP A 237
LYS A 251
ILE A 253
 SAH  A 346 (-2.9A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.0A)
SAH  A 346 (-3.6A)
SAH  A 346 (-2.7A)
SAH  A 346 (-4.9A)
 1.12A 4pghA-3lstA:
18.5		 4pghA-3lstA:
27.73
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.
3msg INTRA-CELLULAR
XYLANASE IXT6

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		5 SER A 287
GLY A  80
THR A 289
LEU A  83
ILE A 126
 None
 1.12A 4pghA-3msgA:
undetectable		 4pghA-3msgA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nmz APC VARIANT PROTEIN

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 470
GLY A 471
LEU A 407
VAL A 406
ILE A 357
 None
 1.17A 4pghA-3nmzA:
undetectable		 4pghA-3nmzA:
20.85
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 SER A 282
GLY A 262
GLY A 109
LEU A 256
ILE A 106
 None
None
LLP  A 252 ( 3.5A)
None
None
 1.06A 4pghA-3nraA:
3.0		 4pghA-3nraA:
22.05
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.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A  64
GLY A 106
GLY A 107
THR A 111
ASP A 397
 None
 1.08A 4pghA-3owaA:
undetectable		 4pghA-3owaA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		11 SER A 181
GLY A 205
GLY A 206
THR A 211
ASP A 228
LEU A 229
VAL A 232
ASP A 248
MET A 249
LYS A 262
ILE A 264
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.0A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 (-2.6A)
None
 0.34A 4pghA-3p9cA:
46.5		 4pghA-3p9cA:
77.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 SER A 181
GLY A 207
THR A 211
ASP A 228
LEU A 229
ASP A 248
MET A 249
ILE A 264
 ACT  A 901 (-2.6A)
SAH  A 401 (-3.6A)
ACT  A 901 ( 4.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
None
 1.15A 4pghA-3p9cA:
46.5		 4pghA-3p9cA:
77.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 GLY A 252
GLY A 253
LEU A 259
VAL A 353
ILE A 251
 None
SO4  A 401 (-3.5A)
None
None
None
 0.98A 4pghA-3td9A:
2.2		 4pghA-3td9A:
21.39
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.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  13
THR A  21
ASP A  36
ASP A  56
 None
 1.11A 4pghA-3tl3A:
5.9		 4pghA-3tl3A:
22.47
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 GLY B  14
THR B  23
ASP B  38
LEU B  39
ASP B  61
 None
 0.95A 4pghA-3tzqB:
6.8		 4pghA-3tzqB:
20.89
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.
3u4k FIMBRIA ADHESIN
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 5 SER A 175
GLY A 100
THR A 142
LEU A  84
ILE A 135
 None
 1.15A 4pghA-3u4kA:
undetectable		 4pghA-3u4kA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
GLY A 188
ASP A 210
VAL A 214
ASP A 236
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
 0.26A 4pghA-4a6eA:
30.7		 4pghA-4a6eA:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akd MANNOSE-SPECIFIC
LECTIN KM+

(Artocarpus
integer) 		PF01419
(Jacalin) 		5 GLY A  16
GLY A  15
ASP A 142
LEU A 140
VAL A  96
 None
 1.13A 4pghA-4akdA:
undetectable		 4pghA-4akdA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		5 GLY A  44
GLY A  14
THR A  18
ASP A  42
ILE A  45
 None
 1.13A 4pghA-4aovA:
undetectable		 4pghA-4aovA:
21.35
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 GLY A  22
THR A  31
ASP A  46
LEU A  47
ASP A  67
 None
 0.84A 4pghA-4cr6A:
7.3		 4pghA-4cr6A:
23.10
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
GLY A  35
THR A  43
ASP A  58
ASP A  81
 None
 0.98A 4pghA-4dqxA:
6.7		 4pghA-4dqxA:
20.65
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		8 GLY A 208
GLY A 209
THR A 214
ASP A 231
LEU A 232
VAL A 235
MET A 253
LYS A 267
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.8A)
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
 0.59A 4pghA-4eviA:
33.4		 4pghA-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 208
GLY A 209
THR A 214
VAL A 236
MET A 253
LYS A 267
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
None
None
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
 1.07A 4pghA-4eviA:
33.4		 4pghA-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 SER A 183
GLY A 208
GLY A 209
ASP A 231
LEU A 232
MET A 253
LYS A 267
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
 0.92A 4pghA-4eviA:
33.4		 4pghA-4eviA:
26.99
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 SER A 183
GLY A 208
GLY A 209
VAL A 236
MET A 253
LYS A 267
 SAH  A 401 (-2.4A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-4.1A)
SAH  A 401 (-2.4A)
 1.25A 4pghA-4eviA:
33.4		 4pghA-4eviA:
26.99
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		5 SER A 132
GLY A  78
GLY A  79
LEU A  86
ILE A 110
 None
 1.17A 4pghA-4ge0A:
undetectable		 4pghA-4ge0A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLY A  48
GLY A  18
THR A  22
ASP A  46
ILE A  49
 None
 1.10A 4pghA-4hcxA:
undetectable		 4pghA-4hcxA:
21.33
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  53
THR B  58
ASP B  73
LEU B  74
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.8A)
None
SAM  B 301 (-3.1A)
SAM  B 301 (-4.2A)
 0.84A 4pghA-4htfB:
14.9		 4pghA-4htfB:
20.85
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  10
GLY A  11
THR A  19
ASP A  34
ASP A  61
 NAD  A 402 ( 3.8A)
None
None
NAD  A 402 (-2.5A)
NAD  A 402 (-3.1A)
 0.88A 4pghA-4lisA:
5.5		 4pghA-4lisA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 GLY A  36
GLY A  37
ASP A  60
LEU A  61
ASP A  86
 None
 0.75A 4pghA-4lvuA:
6.0		 4pghA-4lvuA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A 135
GLY A 136
VAL A 142
ASP A 132
ILE A 224
 FAD  A 601 ( 4.4A)
None
None
IPA  A 603 (-3.5A)
FAD  A 601 (-3.9A)
 1.12A 4pghA-4mlaA:
undetectable		 4pghA-4mlaA:
23.02
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		5 GLY A  19
THR A  28
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.07A 4pghA-4nbwA:
6.0		 4pghA-4nbwA:
20.91
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  13
THR A  21
ASP A  36
ASP A  61
 None
 1.00A 4pghA-4ni5A:
5.4		 4pghA-4ni5A:
21.04
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A 146
GLY A 147
VAL A 153
ASP A 143
ILE A 236
 FAD  A 601 ( 4.2A)
None
None
DMS  A 604 ( 4.5A)
FAD  A 601 (-3.9A)
 0.96A 4pghA-4oalA:
undetectable		 4pghA-4oalA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		11 SER A 181
GLY A 206
GLY A 207
THR A 212
ASP A 229
LEU A 230
VAL A 233
ASP A 249
MET A 250
LYS A 263
ILE A 265
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
SAM  A 401 ( 3.9A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 ( 4.9A)
SAM  A 401 (-3.2A)
SAM  A 401 (-3.7A)
SAM  A 401 (-2.4A)
None
 0.00A 4pghA-4pghA:
53.3		 4pghA-4pghA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 SER A 181
GLY A 208
THR A 212
ASP A 229
LEU A 230
ASP A 249
MET A 250
 SAM  A 401 (-3.6A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.1A)
SAM  A 401 (-2.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
SAM  A 401 (-3.7A)
 1.13A 4pghA-4pghA:
53.3		 4pghA-4pghA:
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 229
GLY A 243
GLY A 220
THR A 225
VAL A 155
 None
 1.18A 4pghA-4rvsA:
2.4		 4pghA-4rvsA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		5 GLY A  10
GLY A  11
THR A  19
ASP A  34
ASP A  53
 NAD  A 400 (-3.4A)
None
None
NAD  A 400 (-2.7A)
NAD  A 400 (-3.1A)
 0.74A 4pghA-4twrA:
6.1		 4pghA-4twrA:
23.12
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  17
THR A  25
ASP A  40
ASP A  61
 NAD  A 301 (-3.1A)
NAD  A 301 ( 4.8A)
None
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
 0.97A 4pghA-4wecA:
6.3		 4pghA-4wecA:
22.75
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  14
GLY A  15
ASP A  38
LEU A  39
ASP A  64
 None
 0.71A 4pghA-4weoA:
5.8		 4pghA-4weoA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 103
GLY A 106
VAL A 127
ASP A 364
ILE A 101
 None
 1.13A 4pghA-4wjbA:
undetectable		 4pghA-4wjbA:
22.78
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		6 GLY A  12
GLY A  13
THR A  21
ASP A  36
LEU A  37
ASP A  57
 NAD  A 300 (-3.5A)
None
None
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
NAD  A 300 (-3.5A)
 1.16A 4pghA-4xgnA:
5.9		 4pghA-4xgnA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ay6 FLAGELLAR HOOK
PROTEIN FLGE

(Caulobacter
vibrioides) 		PF07559
(FlaE) 		5 GLY A 343
GLY A 342
ASP A 339
LEU A 436
ASP A 370
 None
 1.08A 4pghA-5ay6A:
undetectable		 4pghA-5ay6A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		10 SER A 187
GLY A 211
GLY A 212
ASP A 234
LEU A 235
VAL A 238
ASP A 254
MET A 255
LYS A 268
ILE A 270
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
SAH  A 401 ( 4.9A)
 0.73A 4pghA-5cvvA:
39.8		 4pghA-5cvvA:
54.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 SER A 187
GLY A 213
ASP A 234
LEU A 235
ASP A 254
MET A 255
ILE A 270
 SAH  A 401 (-2.5A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.9A)
 1.19A 4pghA-5cvvA:
39.8		 4pghA-5cvvA:
54.25
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.
5f1p PTMO8

(Streptomyces
platensis) 		PF13561
(adh_short_C2) 		5 GLY A  13
THR A  22
ASP A  37
LEU A  38
ASP A  64
 None
 0.97A 4pghA-5f1pA:
6.4		 4pghA-5f1pA:
21.80
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  13
ASP A  37
LEU A  38
ASP A  63
 NAD  A 302 (-3.2A)
None
NAD  A 302 ( 2.9A)
NAD  A 302 (-4.2A)
NAD  A 302 (-3.6A)
 0.61A 4pghA-5ilgA:
5.5		 4pghA-5ilgA:
22.80
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  10
ASP A  33
LEU A  34
ASP A  61
 None
 0.76A 4pghA-5o3zA:
7.0		 4pghA-5o3zA:
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 GLY A 369
GLY A 148
THR A 359
ASP A 149
ILE A 364
 None
 1.10A 4pghA-5o6vA:
undetectable		 4pghA-5o6vA:
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.
5thw DEACYLASE

(Burkholderia
multivorans) 		PF01546
(Peptidase_M20) 		5 GLY A 111
GLY A 114
VAL A 135
ASP A 372
ILE A 109
 None
 1.15A 4pghA-5thwA:
undetectable		 4pghA-5thwA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		5 SER A 186
GLY A  20
GLY A  21
LEU A  28
ILE A  56
 None
 1.16A 4pghA-5us8A:
2.4		 4pghA-5us8A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		5 GLY A  26
THR A 178
VAL A  59
ASP A  45
ILE A  25
 None
 1.18A 4pghA-5uscA:
5.3		 4pghA-5uscA:
22.25
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 6 GLY A 244
THR A 250
ASP A 269
LEU A 270
VAL A 273
ASP A 292
 SAM  A 501 ( 3.8A)
None
SAM  A 501 (-2.7A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.4A)
 1.28A 4pghA-5w7pA:
20.9		 4pghA-5w7pA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 10 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
None
 0.84A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 10 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 0.62A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 8 SER A 179
GLY A 203
GLY A 204
THR A 209
VAL A 231
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.10A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 8 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.23A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 5 GLY A  15
GLY A  16
ASP A  39
LEU A  40
ASP A  64
 None
 0.81A 4pghA-6d9yA:
6.4		 4pghA-6d9yA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY C 913
GLY C 915
THR C 958
MET C 869
ILE C 896
 None
 1.17A 4pghA-6en4C:
undetectable		 4pghA-6en4C:
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.
6f2c METHYLGLYOXAL
SYNTHASE

(Bacillus
subtilis) 		no annotation 5 GLY A  59
GLY A  55
ASP A  60
LEU A  94
VAL A  91
 None
CL  A 203 (-4.1A)
None
None
None
 1.13A 4pghA-6f2cA:
3.0		 4pghA-6f2cA:
undetectable