SIMILAR PATTERNS OF AMINO ACIDS FOR 3DMF_A_SAMA388_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  63
ALA A  33
ASP A  26
PRO A  84
PHE A 112
 None
 1.04A 3dmfA-1bxzA:
8.2		 3dmfA-1bxzA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d1u PROTEIN (REVERSE
TRANSCRIPTASE)

(Murine leukemia
virus) 		PF00078
(RVT_1) 		5 ASP A 225
ASP A 224
VAL A 223
ASN A 134
PRO A 132
 None
 1.08A 3dmfA-1d1uA:
undetectable		 3dmfA-1d1uA:
20.69
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 PHE A 534
GLY A 538
GLY A 536
VAL A 488
PHE A 465
 None
 1.11A 3dmfA-1dgjA:
undetectable		 3dmfA-1dgjA:
18.22
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 PHE A  35
GLY A  63
GLY A  65
ASP A 113
ASN A 129
PRO A 131
 None
 0.33A 3dmfA-1dusA:
20.4		 3dmfA-1dusA:
18.02
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 534
ALA A 395
ASP A 537
VAL A 542
ASN A 329
 None
NAG  A 604 (-3.4A)
None
None
None
 1.09A 3dmfA-1gpeA:
2.7		 3dmfA-1gpeA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 130
GLY A 534
ALA A 395
ASP A 537
VAL A 542
 None
None
NAG  A 604 (-3.4A)
None
None
 0.98A 3dmfA-1gpeA:
2.7		 3dmfA-1gpeA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 225
GLY A  12
GLY A   9
VAL A  74
VAL A 232
 None
None
NAD  A1306 (-3.2A)
None
None
 1.03A 3dmfA-1gv0A:
7.2		 3dmfA-1gv0A:
24.43
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 TYR A 139
GLY A 370
GLY A 367
ALA A 390
VAL A 375
 None
 1.12A 3dmfA-1m7sA:
undetectable		 3dmfA-1m7sA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 GLY A  56
GLY A  58
ASP A 100
VAL A 101
ASN A 114
PHE A 128
 None
 0.56A 3dmfA-1ne2A:
15.1		 3dmfA-1ne2A:
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 TYR A   3
GLY A  72
GLY A  92
ALA A 158
ASP A  37
VAL A  75
 None
 1.41A 3dmfA-1q1nA:
7.7		 3dmfA-1q1nA:
22.60
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLY A  84
GLY A 362
ALA A 373
VAL A  25
PHE A 214
 None
 1.01A 3dmfA-1qdlA:
undetectable		 3dmfA-1qdlA:
23.74
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		6 GLY A  45
GLY A  47
ALA A  50
ASP A  91
ASN A 113
PRO A 115
 None
 0.94A 3dmfA-1qyrA:
10.7		 3dmfA-1qyrA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 PHE A 100
ALA A 134
ASN A 197
PRO A 199
PHE A 228
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
None
 1.03A 3dmfA-1sg9A:
18.5		 3dmfA-1sg9A:
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		6 PHE A 100
GLY A 129
GLY A 131
ALA A 134
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.48A 3dmfA-1sg9A:
18.5		 3dmfA-1sg9A:
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A   9
ALA A  17
ASP A  47
VAL A  48
VAL A 100
 ADN  A1001 (-3.5A)
None
ADN  A1001 (-2.9A)
ADN  A1001 (-3.6A)
ADN  A1001 ( 4.4A)
 1.01A 3dmfA-1uayA:
6.5		 3dmfA-1uayA:
28.17
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 TYR A  63
GLY A  90
ALA A  54
VAL A  61
PHE A  68
 None
 1.02A 3dmfA-1wkrA:
undetectable		 3dmfA-1wkrA:
19.26
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		7 GLY A  57
GLY A  59
ASP A 105
VAL A 106
ASN A 119
PRO A 121
PHE A 133
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.6A)
None
SAH  A1001 (-4.7A)
 0.69A 3dmfA-1wy7A:
13.9		 3dmfA-1wy7A:
20.25
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.
1xg5 ARPG836

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  18
GLY A  21
ALA A  26
ASP A  70
VAL A 120
 NAP  A1301 (-3.5A)
NAP  A1301 (-4.3A)
None
NAP  A1301 (-3.8A)
None
 0.79A 3dmfA-1xg5A:
4.4		 3dmfA-1xg5A:
23.44
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.
1xuv HYPOTHETICAL PROTEIN
MM0500

(Methanosarcina
mazei) 		PF08327
(AHSA1) 		5 ALA A 118
ASP A  43
ASP A  45
PRO A  65
PHE A  63
 None
 0.89A 3dmfA-1xuvA:
undetectable		 3dmfA-1xuvA:
19.17
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A   9
GLY A  13
GLY A  11
VAL A  17
PRO A  54
 GSH  A 501 (-4.7A)
None
None
None
GSH  A 501 (-4.5A)
 1.03A 3dmfA-1zl9A:
undetectable		 3dmfA-1zl9A:
21.84
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 TYR A 416
ALA A 172
ASP A 346
ASP A 544
VAL A 541
 None
None
MG  A 800 (-3.3A)
MG  A 800 (-3.0A)
None
 1.05A 3dmfA-2b0tA:
undetectable		 3dmfA-2b0tA:
20.26
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		6 GLY A 117
GLY A 119
ALA A 122
ASP A 167
ASN A 183
PRO A 185
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.0A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.71A 3dmfA-2b3tA:
21.7		 3dmfA-2b3tA:
23.65
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 117
GLY A 119
ALA A 122
ASP A 167
PRO A 184
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.0A)
None
 0.93A 3dmfA-2b3tA:
21.7		 3dmfA-2b3tA:
23.65
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		5 PHE C 147
GLY C  38
GLY C  40
ALA C  46
VAL C 118
 None
NAP  C1001 (-3.3A)
NAP  C1001 (-3.5A)
None
None
 0.95A 3dmfA-2bruC:
4.1		 3dmfA-2bruC:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 TYR A  65
GLY A 102
GLY A 126
ALA A 294
ASP A 104
 None
None
None
None
ACT  A2005 ( 4.0A)
 1.00A 3dmfA-2e3jA:
undetectable		 3dmfA-2e3jA:
22.93
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 GLY A 329
GLY A 331
ASP A 377
VAL A 378
VAL A 425
 None
 0.93A 3dmfA-2et6A:
6.2		 3dmfA-2et6A:
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.
2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350

(Human
gammaherpesvirus
4) 		PF05109
(Herpes_BLLF1) 		5 TYR A  36
GLY A  66
ASP A 134
VAL A 135
PRO A  70
 None
 1.02A 3dmfA-2h6oA:
undetectable		 3dmfA-2h6oA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  11
GLY A  14
ALA A  19
VAL A  59
VAL A  78
 None
DIO  A 407 (-3.5A)
None
None
None
 0.99A 3dmfA-2hjsA:
4.1		 3dmfA-2hjsA:
25.86
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 GLY A 308
ALA A 315
VAL A 113
VAL A 123
PHE A 127
 None
 1.08A 3dmfA-2o0mA:
2.7		 3dmfA-2o0mA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 PHE A 108
ASP A  67
PRO A  91
VAL A  46
PHE A  48
 None
 0.99A 3dmfA-2o5pA:
undetectable		 3dmfA-2o5pA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		6 GLY A  52
ALA A  33
ASP A 106
VAL A 107
ASN A 130
PRO A 132
 None
 1.42A 3dmfA-2ozvA:
14.4		 3dmfA-2ozvA:
25.50
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		5 GLY A  52
ALA A  57
ASP A 106
ASN A 130
PRO A 132
 None
 1.07A 3dmfA-2ozvA:
14.4		 3dmfA-2ozvA:
25.50
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 GLY A  38
GLY A  40
ASP A  83
ASN A  99
VAL A 105
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.5A)
 0.97A 3dmfA-2p35A:
12.6		 3dmfA-2p35A:
23.79
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		5 GLY A 204
GLY A 206
VAL A 254
ASN A 268
PRO A 270
 None
 0.85A 3dmfA-2pjdA:
33.2		 3dmfA-2pjdA:
29.50
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ASP A  66
VAL A  67
VAL A 115
 NAD  A 500 (-3.3A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.6A)
NAD  A 500 (-3.6A)
NAD  A 500 (-4.1A)
 0.91A 3dmfA-2wsbA:
8.5		 3dmfA-2wsbA:
24.87
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		6 PHE A 432
GLY A 434
GLY A 431
ALA A 324
VAL A  78
PHE A  85
 None
 1.39A 3dmfA-2xfgA:
undetectable		 3dmfA-2xfgA:
22.04
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		5 GLY A  12
ALA A  20
ASP A  59
VAL A  60
VAL A 114
 None
 1.12A 3dmfA-2y93A:
7.1		 3dmfA-2y93A:
23.64
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.
2zk7 GLUCOSE
1-DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A  22
ASP A  53
VAL A  54
VAL A 103
 None
 1.04A 3dmfA-2zk7A:
6.1		 3dmfA-2zk7A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		12 TYR A   8
PHE A 207
GLY A 241
GLY A 243
ALA A 246
ASP A 263
ASP A 288
VAL A 289
ASN A 305
PRO A 307
VAL A 318
PHE A 322
 None
SAH  A 376 (-3.4A)
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-3.3A)
SAH  A 376 (-4.2A)
SAH  A 376 (-4.1A)
SAH  A 376 (-4.0A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
SAH  A 376 (-4.5A)
None
 0.18A 3dmfA-2zwvA:
61.8		 3dmfA-2zwvA:
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.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A  16
ALA A  24
ASP A  63
VAL A  64
VAL A 113
 NAD  A 901 (-3.6A)
None
NAD  A 901 (-3.8A)
NAD  A 901 (-3.6A)
NAD  A 901 ( 4.5A)
 0.97A 3dmfA-3ak4A:
6.2		 3dmfA-3ak4A:
21.00
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
ALA A  55
ASP A 100
VAL A 101
 SAM  A 220 (-3.5A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.9A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.2A)
 0.71A 3dmfA-3dlcA:
11.3		 3dmfA-3dlcA:
19.90
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ASP A  55
VAL A  56
VAL A 105
 THJ  A 249 (-3.4A)
None
None
None
None
 1.12A 3dmfA-3gedA:
7.6		 3dmfA-3gedA:
20.36
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.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  17
ALA A  25
ASP A  74
VAL A  75
VAL A 124
 NAP  A 501 (-3.3A)
None
NAP  A 501 (-3.5A)
NAP  A 501 (-3.6A)
NAP  A 501 (-4.1A)
 0.95A 3dmfA-3kvoA:
7.6		 3dmfA-3kvoA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 GLY A   8
ALA A  16
ASP A  59
VAL A  60
VAL A 109
 NJP  A 501 (-3.3A)
None
NJP  A 501 (-3.6A)
NJP  A 501 (-3.6A)
NJP  A 501 (-4.6A)
 0.96A 3dmfA-3l77A:
6.3		 3dmfA-3l77A:
25.52
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.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 GLY A  39
GLY A  42
ALA A  47
ASP A  94
VAL A 137
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.1A)
None
NAD  A 501 (-3.3A)
NAD  A 501 ( 4.6A)
 0.85A 3dmfA-3pvzA:
7.6		 3dmfA-3pvzA:
23.64
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 GLY A 492
ALA A  86
VAL A 476
PRO A 396
VAL A 366
 GOL  A8002 (-4.8A)
GOL  A8002 (-3.9A)
None
None
None
 1.06A 3dmfA-3q3qA:
undetectable		 3dmfA-3q3qA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 GLY B  31
ASP B  69
ASN B  85
PRO B  87
VAL B 106
 SAM  B 300 (-3.5A)
SAM  B 300 (-3.7A)
SAM  B 300 (-3.9A)
SAM  B 300 (-4.1A)
None
 0.91A 3dmfA-3q87B:
16.2		 3dmfA-3q87B:
21.26
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
ASP A  62
VAL A  63
VAL A 115
 None
 0.94A 3dmfA-3qivA:
7.5		 3dmfA-3qivA:
19.64
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		6 GLY A 331
ASP A 388
VAL A 389
ASN A 406
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
 0.84A 3dmfA-3s1sA:
11.6		 3dmfA-3s1sA:
17.14
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  18
ALA A  26
ASP A  80
VAL A  81
VAL A 126
 NAD  A 300 (-3.4A)
None
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
NAD  A 300 (-4.1A)
 0.98A 3dmfA-3sx2A:
6.9		 3dmfA-3sx2A:
25.26
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
ALA A  51
ASP A  94
PRO A 119
 None
 0.70A 3dmfA-3uzuA:
10.6		 3dmfA-3uzuA:
24.74
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.
3v8b PUTATIVE
DEHYDROGENASE,
POSSIBLY
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
ASP A  62
VAL A  63
VAL A 113
 None
 0.92A 3dmfA-3v8bA:
6.4		 3dmfA-3v8bA:
23.53
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 GLY A 199
ASP A 290
VAL A 291
ASN A 309
PRO A 311
 SAM  A 801 (-3.2A)
SAM  A 801 (-3.0A)
SAM  A 801 (-3.8A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
 0.66A 3dmfA-3v8vA:
15.8		 3dmfA-3v8vA:
22.41
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ASP A  59
VAL A  60
VAL A 109
 NAD  A 301 (-3.3A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.3A)
 1.10A 3dmfA-3wyeA:
6.9		 3dmfA-3wyeA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 106
GLY A 108
ALA A  70
VAL A 104
VAL A  15
 GDP  A1368 (-3.6A)
GDP  A1368 ( 3.8A)
None
None
None
 1.02A 3dmfA-4b46A:
3.8		 3dmfA-4b46A:
23.84
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ASP A  75
VAL A  76
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.8A)
 0.93A 3dmfA-4cqlA:
7.2		 3dmfA-4cqlA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A  63
GLY A 292
ASN A 104
PRO A  65
VAL A  80
 None
 1.01A 3dmfA-4db3A:
undetectable		 3dmfA-4db3A:
25.68
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		6 PHE A 208
GLY A 236
GLY A 238
ASN A 305
PRO A 307
VAL A 318
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
None
 0.79A 3dmfA-4dcmA:
33.9		 3dmfA-4dcmA:
28.95
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		6 PHE A 452
GLY A 454
GLY A 451
ALA A 344
VAL A  99
PHE A 106
 None
 1.36A 3dmfA-4doeA:
undetectable		 3dmfA-4doeA:
20.97
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
GLY A  36
ASP A  81
VAL A  82
VAL A 131
 None
 1.02A 3dmfA-4dqxA:
7.1		 3dmfA-4dqxA:
20.67
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 TYR A 386
GLY A 449
ALA A 415
ASP A 455
VAL A 454
 None
 1.05A 3dmfA-4dwqA:
undetectable		 3dmfA-4dwqA:
23.46
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A  23
ASP A  65
VAL A  66
VAL A 116
 NAD  A 501 (-3.2A)
None
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
NAD  A 501 ( 4.1A)
 0.99A 3dmfA-4fn4A:
7.1		 3dmfA-4fn4A:
22.90
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 GLY A  15
GLY A  17
ASP A  65
VAL A  66
VAL A 116
 NAD  A 501 (-3.2A)
NAD  A 501 ( 4.0A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
NAD  A 501 ( 4.1A)
 0.96A 3dmfA-4fn4A:
7.1		 3dmfA-4fn4A:
22.90
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		6 GLY A  63
GLY A  65
ASP A 111
ASN A 141
PRO A 143
VAL A 146
 ACT  A 402 (-3.4A)
None
None
None
ACT  A 402 ( 4.9A)
None
 0.96A 3dmfA-4gc5A:
12.2		 3dmfA-4gc5A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A  22
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.97A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  16
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.88A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 PHE B 271
GLY B 414
GLY B 266
VAL B  81
PRO B 419
 None
 1.01A 3dmfA-4iu9B:
undetectable		 3dmfA-4iu9B:
23.40
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 6 PHE B 271
GLY B 415
GLY B 266
ALA B 263
VAL B  81
PRO B 419
 None
 1.47A 3dmfA-4iu9B:
undetectable		 3dmfA-4iu9B:
23.40
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 273
GLY A 417
GLY A 268
VAL A  83
PRO A 422
 None
GYP  A 502 (-3.4A)
None
None
None
 1.04A 3dmfA-4jreA:
undetectable		 3dmfA-4jreA:
22.93
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 GLY A 226
GLY A 228
ALA A 323
ASP A 257
VAL A 256
 FAD  A 401 (-3.1A)
FAD  A 401 (-3.3A)
FAD  A 401 (-3.6A)
None
None
 1.04A 3dmfA-4kpuA:
3.2		 3dmfA-4kpuA:
23.91
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.
4lhs UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14606
(Lipase_GDSL_3)
PF14607
(GxDLY) 		5 TYR A 350
GLY A 191
ASP A 243
PRO A 338
PHE A 343
 None
 1.03A 3dmfA-4lhsA:
undetectable		 3dmfA-4lhsA:
21.84
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 PHE A 300
GLY A 110
GLY A 298
ALA A 295
ASP A  59
 None
 0.93A 3dmfA-4n3oA:
undetectable		 3dmfA-4n3oA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  26
ALA A  34
ASP A  77
VAL A  78
VAL A 129
 None
 0.81A 3dmfA-4nbrA:
6.6		 3dmfA-4nbrA:
24.14
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		5 GLY A  19
ALA A  27
ASP A  69
VAL A  70
VAL A 128
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-3.0A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.9A)
 0.94A 3dmfA-4nbwA:
7.2		 3dmfA-4nbwA:
25.53
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 GLY A 357
GLY A 359
ALA A 364
ASP A  54
VAL A 338
 None
 1.10A 3dmfA-4q88A:
undetectable		 3dmfA-4q88A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		6 GLY A  18
GLY A  20
ALA A  49
VAL A  16
ASN A  25
VAL A 194
 None
PO4  A 401 (-3.3A)
None
None
None
None
 1.39A 3dmfA-4u39A:
3.2		 3dmfA-4u39A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 TYR A1037
GLY A 906
ASP A 981
ASN A1018
PRO A1020
 None
 0.72A 3dmfA-4xqkA:
10.2		 3dmfA-4xqkA:
13.46
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.
4y1k OUTER MEMBRANE
PROTEIN OPRM

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 PHE A  43
GLY A 447
GLY A 449
ALA A 159
ASP A  37
 None
 1.08A 3dmfA-4y1kA:
undetectable		 3dmfA-4y1kA:
26.18
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.
4zv7 LIPASE B

(Moesziomyces
antarcticus) 		no annotation 5 GLY A  39
GLY A  41
ALA A 282
VAL A  37
VAL A 110
 None
 0.99A 3dmfA-4zv7A:
undetectable		 3dmfA-4zv7A:
22.64
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.
5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN

(Homo sapiens) 		PF00782
(DSPc)
PF10409
(PTEN_C2) 		5 GLY A  36
ASP A  51
VAL A  54
ASN A  69
PHE A  81
 None
 1.12A 3dmfA-5bugA:
undetectable		 3dmfA-5bugA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 TYR A 117
GLY A  46
GLY A  44
ALA A  42
VAL A 139
 None
56L  A 205 (-3.7A)
None
None
None
 1.08A 3dmfA-5cx0A:
undetectable		 3dmfA-5cx0A:
19.24
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.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 GLY A  32
ALA A  40
ASP A  82
VAL A  83
VAL A 133
 NAP  A 301 (-3.3A)
None
NAP  A 301 (-3.7A)
NAP  A 301 (-3.5A)
None
 1.11A 3dmfA-5feuA:
7.1		 3dmfA-5feuA:
21.65
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.
5ff9 NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 GLY A  32
ALA A  40
ASP A  82
VAL A  83
VAL A 133
 NAP  A 301 (-3.3A)
None
NAP  A 301 (-3.6A)
NAP  A 301 (-3.6A)
None
 1.08A 3dmfA-5ff9A:
7.1		 3dmfA-5ff9A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmt ALGINATE LYASE

(Aplysia kurodai) 		no annotation 5 PHE A  92
GLY A  97
GLY A  95
ALA A 245
ASP A 136
 None
 0.92A 3dmfA-5gmtA:
undetectable		 3dmfA-5gmtA:
18.95
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.
5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASP A1987
VAL A1990
ASN A1960
VAL A1708
PHE A1704
 None
 1.09A 3dmfA-5h08A:
undetectable		 3dmfA-5h08A:
21.75
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
ALA A  29
ASP A  71
VAL A  72
VAL A 122
 None
 0.89A 3dmfA-5ha5A:
5.8		 3dmfA-5ha5A:
24.73
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
GLY A  23
ASP A  71
VAL A  72
VAL A 122
 None
 0.87A 3dmfA-5ha5A:
5.8		 3dmfA-5ha5A:
24.73
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		5 GLY A  13
ALA A  21
ASP A  63
VAL A  64
VAL A 113
 NAD  A 301 (-3.4A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-4.1A)
 0.97A 3dmfA-5ig2A:
6.8		 3dmfA-5ig2A:
26.34
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		5 GLY A  13
GLY A  15
ASP A  63
VAL A  64
VAL A 113
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-4.1A)
 0.87A 3dmfA-5ig2A:
6.8		 3dmfA-5ig2A:
26.34
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.
5iz4 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
ALA A  21
ASP A  66
VAL A  67
VAL A 119
 ADP  A 300 (-3.6A)
None
ADP  A 300 (-3.5A)
ADP  A 300 (-3.8A)
ADP  A 300 (-4.1A)
 0.94A 3dmfA-5iz4A:
2.5		 3dmfA-5iz4A:
24.93
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.
5k9z PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  22
ALA A  30
ASP A  68
VAL A  69
VAL A 119
 None
 0.99A 3dmfA-5k9zA:
7.0		 3dmfA-5k9zA:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 GLY A 530
ALA A 391
ASP A 533
VAL A 538
ASN A 325
 None
NAG  A 609 (-3.5A)
None
None
None
 1.11A 3dmfA-5nitA:
undetectable		 3dmfA-5nitA:
21.79
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 PHE A 126
GLY A 530
ALA A 391
ASP A 533
VAL A 538
 None
None
NAG  A 609 (-3.5A)
None
None
 1.03A 3dmfA-5nitA:
undetectable		 3dmfA-5nitA:
21.79
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.
5obn RNA-BINDING PROTEIN
40

(Homo sapiens) 		no annotation 5 GLY A 488
GLY A 397
VAL A 497
VAL A 409
PHE A 410
 None
 0.87A 3dmfA-5obnA:
undetectable		 3dmfA-5obnA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
ASP A 179
ASN A 194
PRO A 196
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 (-2.9A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
 0.42A 3dmfA-5u4tA:
14.9		 3dmfA-5u4tA:
25.55
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  19
GLY A  21
ASP A  69
VAL A  70
VAL A 119
 NAP  A 301 (-3.7A)
NAP  A 301 ( 4.2A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.8A)
NAP  A 301 (-4.3A)
 0.88A 3dmfA-5u9pA:
6.7		 3dmfA-5u9pA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
ASN A 126
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
SAH  A 701 (-4.0A)
 0.73A 3dmfA-5wp4A:
12.5		 3dmfA-5wp4A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
ASN A 126
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
SAH  A 502 (-3.9A)
 0.71A 3dmfA-5wp5A:
12.7		 3dmfA-5wp5A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 GLY A 981
GLY A 979
ASN A 524
PRO A 526
VAL A 519
 None
 1.11A 3dmfA-6etzA:
undetectable		 3dmfA-6etzA:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 GLY A 227
ALA A 224
ASP A 255
ASP A 234
VAL A 231
 None
 1.01A 3dmfA-6gh2A:
undetectable		 3dmfA-6gh2A:
undetectable