SIMILAR PATTERNS OF AMINO ACIDS FOR 2WA2_A_SAMA1248

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.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		5 GLY A 189
GLY A 188
ASP A 159
THR A 137
ILE A  16
 None
 1.02A 2wa2A-1azzA:
undetectable		 2wa2A-1azzA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 175
GLY A 199
GLY A 201
SER A 206
ILE A 269
 NAD  A1377 ( 4.8A)
NAD  A1377 ( 3.7A)
NAD  A1377 (-3.2A)
None
NAD  A1377 (-4.0A)
 1.14A 2wa2A-1d1tA:
5.0		 2wa2A-1d1tA:
22.16
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 179
GLY A 199
GLY A 201
SER A 206
ILE A 269
 None
NAD  A1377 ( 3.7A)
NAD  A1377 (-3.2A)
None
NAD  A1377 (-4.0A)
 0.77A 2wa2A-1d1tA:
5.0		 2wa2A-1d1tA:
22.16
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 135
GLY A 313
GLU A 534
VAL A 347
ILE A 310
 FAD  A 600 (-4.1A)
FAD  A 600 (-3.5A)
FAD  A 600 (-3.2A)
None
None
 1.20A 2wa2A-1d4eA:
3.1		 2wa2A-1d4eA:
19.40
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 GLY A 344
GLY A 285
LEU A 281
VAL A 313
ILE A 343
 None
 0.92A 2wa2A-1dcuA:
undetectable		 2wa2A-1dcuA:
22.16
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 538
GLY A 627
GLY A 625
VAL A 705
THR A 706
 None
 1.09A 2wa2A-1dgjA:
undetectable		 2wa2A-1dgjA:
13.75
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 174
GLY A 198
GLY A 200
SER A 205
ILE A 268
 None
NAD  A1100 (-3.7A)
NAD  A1100 (-3.4A)
None
NAD  A1100 (-3.9A)
 1.20A 2wa2A-1ee2A:
5.3		 2wa2A-1ee2A:
24.80
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 178
GLY A 198
GLY A 200
SER A 205
ILE A 268
 None
NAD  A1100 (-3.7A)
NAD  A1100 (-3.4A)
None
NAD  A1100 (-3.9A)
 0.69A 2wa2A-1ee2A:
5.3		 2wa2A-1ee2A:
24.80
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 118
GLY A 154
GLY A 151
SER A 122
LEU A 156
 SAF  A1998 ( 3.5A)
None
None
None
None
 1.02A 2wa2A-1gqrA:
undetectable		 2wa2A-1gqrA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 GLY A 496
GLY A 194
GLY A 196
SER A 201
ILE A 283
 None
FAD  A1031 (-3.1A)
FAD  A1031 (-3.4A)
None
FAD  A1031 (-3.7A)
 0.78A 2wa2A-1h7wA:
3.5		 2wa2A-1h7wA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 387
GLY A 129
GLY A 366
THR A 131
ILE A 156
 None
None
None
XPL  A 202 ( 4.5A)
None
 0.78A 2wa2A-1l2qA:
undetectable		 2wa2A-1l2qA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7u ADSORPTION PROTEIN
P2

(Salmonella
virus PRD1) 		PF09214
(Prd1-P2) 		5 GLY A  48
GLY A 478
GLY A 468
THR A 481
ILE A  38
 None
 1.22A 2wa2A-1n7uA:
undetectable		 2wa2A-1n7uA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 328
GLY A 240
GLY A 238
THR A 208
ILE A 210
 None
 1.17A 2wa2A-1ovwA:
undetectable		 2wa2A-1ovwA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 ( 4.2A)
 0.41A 2wa2A-1r6aA:
33.2		 2wa2A-1r6aA:
47.72
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A 253
GLY A 119
ASP A 250
VAL A 257
THR A 258
 None
 1.11A 2wa2A-1sqjA:
undetectable		 2wa2A-1sqjA:
16.00
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 179
GLY A 199
GLY A 201
SER A 206
ILE A 269
 None
NAD  A1377 (-3.5A)
NAD  A1377 (-3.4A)
None
NAD  A1377 (-3.7A)
 0.72A 2wa2A-1u3tA:
4.4		 2wa2A-1u3tA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A 405
GLY A 149
GLY A 147
VAL A 208
THR A 207
 None
None
CMU  A1481 ( 4.9A)
None
None
 0.98A 2wa2A-1uouA:
undetectable		 2wa2A-1uouA:
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 GLY A 206
GLY A 190
GLY A 186
ASP A  12
VAL A  13
 None
None
PLP  A 350 (-3.1A)
None
None
 0.95A 2wa2A-1v71A:
undetectable		 2wa2A-1v71A:
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		5 GLY A 301
GLY A 335
SER A 305
THR A 322
GLU A 364
 PYC  A 700 (-3.7A)
None
None
None
None
 1.21A 2wa2A-1w61A:
undetectable		 2wa2A-1w61A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zi0 DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF03989
(DNA_gyraseA_C) 		5 GLY A 751
GLY A 753
VAL A 833
THR A 799
ILE A 825
 None
 1.11A 2wa2A-1zi0A:
undetectable		 2wa2A-1zi0A:
23.94
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.
2bbv PROTEIN (BLACK
BEETLE VIRUS CAPSID
PROTEIN)

(Black beetle
virus) 		PF01829
(Peptidase_A6) 		5 GLY A 186
GLY A 238
SER A 234
VAL A 173
THR A 315
 None
 1.09A 2wa2A-2bbvA:
undetectable		 2wa2A-2bbvA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		5 GLY A 132
GLY A 258
GLU A  98
VAL A 120
ILE A 133
 None
 1.21A 2wa2A-2dupA:
undetectable		 2wa2A-2dupA:
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 361
GLY A   6
GLY A   8
SER A  13
ILE A   5
 None
FAD  A1002 (-3.3A)
FAD  A1002 (-3.5A)
None
FAD  A1002 (-4.5A)
 1.15A 2wa2A-2e5vA:
2.1		 2wa2A-2e5vA:
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 GLY A  42
GLY A 384
GLY A 381
GLU A 380
VAL A 388
 None
 1.18A 2wa2A-2g02A:
undetectable		 2wa2A-2g02A:
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.
2gqw FERREDOXIN REDUCTASE

(Pseudomonas sp.
KKS102) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A 298
GLY A  14
GLY A  16
SER A  21
THR A  81
 None
FAD  A1449 (-3.2A)
FAD  A1449 (-3.5A)
None
FAD  A1449 ( 4.3A)
 0.83A 2wa2A-2gqwA:
2.1		 2wa2A-2gqwA:
22.20
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.
2h0a TRANSCRIPTIONAL
REGULATOR

(Thermus
thermophilus) 		PF13377
(Peripla_BP_3) 		5 GLY A 301
GLY A  84
GLU A  83
ASP A 149
VAL A 148
 None
 1.20A 2wa2A-2h0aA:
undetectable		 2wa2A-2h0aA:
25.39
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A 110
GLY A  16
SER A  93
THR A  46
LEU A  45
 None
 1.15A 2wa2A-2i3aA:
undetectable		 2wa2A-2i3aA:
23.26
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A  30
TRP A  36
LEU A  63
ASP A  79
VAL A  80
THR A  81
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.9A)
SAM  A 201 ( 4.1A)
 0.65A 2wa2A-2nyuA:
15.2		 2wa2A-2nyuA:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		7 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
ASP A 132
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.9A)
 0.34A 2wa2A-2oxtA:
34.9		 2wa2A-2oxtA:
53.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		7 GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
GLU A 112
ASP A 132
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-4.2A)
None
SAM  A 300 (-3.9A)
 0.50A 2wa2A-2oxtA:
34.9		 2wa2A-2oxtA:
53.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.3A)
 0.62A 2wa2A-2oy0A:
32.2		 2wa2A-2oy0A:
46.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  58
GLY A  83
THR A 104
GLU A 111
VAL A 132
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
 1.05A 2wa2A-2oy0A:
32.2		 2wa2A-2oy0A:
46.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.36A 2wa2A-2px5A:
33.5		 2wa2A-2px5A:
48.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		12 GLY A  59
GLY A  82
GLY A  84
SER A  87
TRP A  88
THR A 105
LEU A 106
GLU A 112
ASP A 132
VAL A 133
THR A 134
ILE A 148
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.9A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
None
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.8A)
SAM  A1248 ( 4.0A)
 0.01A 2wa2A-2wa2A:
43.6		 2wa2A-2wa2A:
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  64
GLY A  75
THR A  63
VAL A 138
THR A 137
 None
 1.07A 2wa2A-2wtzA:
undetectable		 2wa2A-2wtzA:
20.87
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 252
GLY A 250
THR A 203
THR A 192
ILE A 255
 None
 1.11A 2wa2A-2z1qA:
undetectable		 2wa2A-2z1qA:
18.94
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.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 GLY A 202
GLY A 375
THR A 376
VAL A 422
ILE A 433
 HEM  A 901 ( 3.8A)
None
None
None
None
 1.24A 2wa2A-3e7gA:
undetectable		 2wa2A-3e7gA:
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 GLY A  84
GLY A  95
GLY A 147
THR A  96
VAL A 194
 None
 1.08A 2wa2A-3eeiA:
undetectable		 2wa2A-3eeiA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
GLU A 111
VAL A 132
ILE A 147
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.2A)
 0.42A 2wa2A-3eluA:
32.8		 2wa2A-3eluA:
50.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
ASP A 131
ILE A 147
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.7A)
SAH  A 901 ( 4.2A)
 0.24A 2wa2A-3evcA:
33.8		 2wa2A-3evcA:
52.26
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLY A 327
GLY A  16
SER A 350
GLU A 355
ASP A  23
 None
 1.15A 2wa2A-3g7uA:
8.0		 2wa2A-3g7uA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
None
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 ( 4.2A)
 0.39A 2wa2A-3gczA:
34.3		 2wa2A-3gczA:
51.59
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.
3gt2 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00877
(NLPC_P60) 		5 GLY A 109
GLY A 116
GLY A  98
LEU A 122
VAL A  92
 None
 1.12A 2wa2A-3gt2A:
undetectable		 2wa2A-3gt2A:
23.24
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.
3gtt SUPEROXIDE DISMUTASE
[CU-ZN]

(Mus musculus) 		PF00080
(Sod_Cu) 		5 GLY A 108
GLU A 109
ASP A 101
VAL A  29
ILE A 112
 None
 1.20A 2wa2A-3gttA:
undetectable		 2wa2A-3gttA:
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 242
GLY A 236
SER A 206
ASP A 216
ILE A 211
 None
 1.15A 2wa2A-3h09A:
undetectable		 2wa2A-3h09A:
14.33
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.
3i86 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00877
(NLPC_P60) 		5 GLY A 145
GLY A 152
GLY A 134
LEU A 158
VAL A 128
 None
 1.17A 2wa2A-3i86A:
undetectable		 2wa2A-3i86A:
18.84
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A 323
GLY A  86
GLY A  88
SER A  93
THR A 183
 None
AHZ  A 500 (-3.0A)
AHZ  A 500 (-3.6A)
None
AHZ  A 500 ( 4.2A)
 0.74A 2wa2A-3jskA:
2.6		 2wa2A-3jskA:
23.23
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 GLY A 265
GLY A 238
SER A 243
VAL A 324
ILE A 235
 None
 1.05A 2wa2A-3l0zA:
undetectable		 2wa2A-3l0zA:
24.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-4.1A)
 0.59A 2wa2A-3lkzA:
33.2		 2wa2A-3lkzA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  58
GLY A  83
THR A 104
GLU A 111
VAL A 132
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.3A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
 0.96A 2wa2A-3lkzA:
33.2		 2wa2A-3lkzA:
43.69
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 GLY A  58
GLY A 319
GLU A 318
ASP A 311
VAL A 310
 None
 1.01A 2wa2A-3lopA:
3.1		 2wa2A-3lopA:
22.35
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.
3nre ALDOSE 1-EPIMERASE

(Escherichia
coli) 		PF01263
(Aldose_epim) 		5 GLY A  40
GLY A  86
GLY A  89
GLU A  90
VAL A  51
 None
 1.16A 2wa2A-3nreA:
undetectable		 2wa2A-3nreA:
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.
3pua PHD FINGER PROTEIN 2

(Homo sapiens) 		PF02373
(JmjC) 		5 GLY A 264
LEU A 190
ASP A 163
VAL A 164
THR A 165
 None
 0.59A 2wa2A-3puaA:
undetectable		 2wa2A-3puaA:
21.16
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 GLY A 212
GLY A 214
THR A 211
LEU A 210
VAL A  49
 None
 1.12A 2wa2A-3s6hA:
undetectable		 2wa2A-3s6hA:
22.48
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLY A  39
GLY A  72
GLY A  75
THR A  70
THR A  96
 None
 1.25A 2wa2A-3x43A:
undetectable		 2wa2A-3x43A:
24.08
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 GLY A 201
SER A 203
LEU A 223
VAL A 338
ILE A 299
 None
ANP  A1401 (-3.6A)
None
None
None
 1.19A 2wa2A-3zlbA:
undetectable		 2wa2A-3zlbA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 GLY A 856
GLY A 633
GLY A 824
GLU A 822
ILE A 634
 None
 1.20A 2wa2A-4ammA:
undetectable		 2wa2A-4ammA:
22.08
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.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1885
GLY A1883
THR A1887
LEU A1779
VAL A1889
 None
 1.15A 2wa2A-4bpcA:
undetectable		 2wa2A-4bpcA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 SER A 320
THR A 286
LEU A 285
ASP A 314
ILE A 305
 None
 1.13A 2wa2A-4conA:
undetectable		 2wa2A-4conA:
17.40
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		5 GLY A 243
GLY A  25
GLU A  24
ASP A  63
VAL A  83
 None
 1.10A 2wa2A-4fe4A:
undetectable		 2wa2A-4fe4A:
21.38
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 GLY A  63
GLY A 131
THR A 130
THR A 175
ILE A 132
 None
 1.25A 2wa2A-4htlA:
undetectable		 2wa2A-4htlA:
23.27
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.
4jxb INVASION-ASSOCIATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY A  73
GLY A  80
GLY A  62
LEU A  86
VAL A  56
 None
 1.14A 2wa2A-4jxbA:
undetectable		 2wa2A-4jxbA:
20.31
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 ( 4.3A)
 0.36A 2wa2A-4k6mA:
33.2		 2wa2A-4k6mA:
16.87
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
THR A 104
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
 0.42A 2wa2A-4k6mA:
33.2		 2wa2A-4k6mA:
16.87
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
 0.59A 2wa2A-4k6mA:
33.2		 2wa2A-4k6mA:
16.87
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 GLY A  57
GLY A  11
ASP A 103
VAL A 100
THR A  99
 None
 1.04A 2wa2A-4k8lA:
undetectable		 2wa2A-4k8lA:
24.04
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.
4m7o IRON-BINDING PROTEIN

(Staphylococcus
epidermidis) 		PF01497
(Peripla_BP_2) 		5 SER A  48
THR A 160
ASP A 165
VAL A 164
ILE A 133
 None
 1.19A 2wa2A-4m7oA:
undetectable		 2wa2A-4m7oA:
21.78
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
THR A 301
LEU A 302
ASP A 335
THR A 337
 SAM  A 601 (-3.5A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
SAM  A 601 ( 3.9A)
 0.60A 2wa2A-4n49A:
16.1		 2wa2A-4n49A:
22.65
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.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		5 GLY A 309
GLY A  20
GLY A  22
SER A  27
THR A  90
 None
FAD  A 401 (-3.3A)
FAD  A 401 (-3.2A)
None
FAD  A 401 (-4.2A)
 0.85A 2wa2A-4ntcA:
undetectable		 2wa2A-4ntcA:
22.16
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A 308
GLY A  12
GLY A  14
SER A  19
THR A 121
 None
FDA  A 501 (-3.1A)
FDA  A 501 (-3.2A)
None
FDA  A 501 (-4.0A)
 0.81A 2wa2A-4opuA:
3.1		 2wa2A-4opuA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A 308
GLY A  12
SER A  19
THR A 121
ILE A  11
 None
FDA  A 501 (-3.1A)
None
FDA  A 501 (-4.0A)
None
 1.21A 2wa2A-4opuA:
3.1		 2wa2A-4opuA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 GLY A 197
THR A 201
LEU A 202
GLU A 222
ILE A 166
 None
 1.09A 2wa2A-4pmhA:
undetectable		 2wa2A-4pmhA:
20.53
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 261
GLY A 211
GLY A 213
THR A 209
LEU A 208
 None
 0.96A 2wa2A-4rvsA:
6.1		 2wa2A-4rvsA:
21.97
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  22
LEU A  39
ASP A  64
VAL A  65
THR A  66
 None
 1.02A 2wa2A-4weoA:
6.3		 2wa2A-4weoA:
25.15
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 GLY A 710
GLY A 680
SER A 707
VAL A 665
ILE A 687
 None
 1.13A 2wa2A-4yplA:
undetectable		 2wa2A-4yplA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A  87
GLY A  12
GLY A  39
THR A  14
ILE A  10
 None
NAD  A 501 (-3.3A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
None
 0.88A 2wa2A-4zqgA:
3.8		 2wa2A-4zqgA:
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 455
GLY A 412
GLY A 428
SER A 459
THR A 415
 SMC  A 454 ( 2.4A)
None
None
None
None
 1.19A 2wa2A-5a8rA:
undetectable		 2wa2A-5a8rA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A 129
GLY A 155
GLY A 157
SER A 162
ILE A 154
 None
 1.22A 2wa2A-5butA:
5.8		 2wa2A-5butA:
23.26
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A 271
GLY A  13
GLY A  15
SER A  20
ILE A  12
 None
 1.23A 2wa2A-5butA:
5.8		 2wa2A-5butA:
23.26
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
SER A 116
ASP A 163
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.3A)
SAH  A 301 (-2.7A)
SAH  A 301 ( 3.8A)
 0.89A 2wa2A-5ccxA:
10.7		 2wa2A-5ccxA:
23.03
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.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLY A  58
GLY A 111
GLY A  97
THR A 112
THR A 153
 None
 1.16A 2wa2A-5dl5A:
undetectable		 2wa2A-5dl5A:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.2A)
 0.46A 2wa2A-5e9qA:
33.2		 2wa2A-5e9qA:
48.54
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A 242
GLY A 227
VAL A 185
THR A 184
ILE A 241
 None
 0.91A 2wa2A-5f83A:
undetectable		 2wa2A-5f83A:
24.65
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.
5fgr CELL SURFACE PROTEIN
SPAA

(Lactobacillus
rhamnosus) 		no annotation 5 GLY A 197
GLY A 195
GLU A 194
VAL A 244
THR A 243
 None
 1.00A 2wa2A-5fgrA:
undetectable		 2wa2A-5fgrA:
24.31
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 314
GLY A  67
SER A 311
VAL A 371
ILE A 706
 EDO  A1870 ( 3.7A)
None
EDO  A1870 (-4.9A)
None
NAG  A1002 ( 4.6A)
 1.00A 2wa2A-5fjiA:
undetectable		 2wa2A-5fjiA:
14.88
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 GLY E  73
GLY E  43
GLY E  39
THR E  42
LEU E 135
 None
 1.16A 2wa2A-5h36E:
undetectable		 2wa2A-5h36E:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdl CELL SURFACE PROTEIN
SPAA

(Lactobacillus
rhamnosus) 		no annotation 5 GLY A 197
GLY A 195
GLU A 194
VAL A 244
THR A 243
 None
 1.07A 2wa2A-5hdlA:
undetectable		 2wa2A-5hdlA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.42A 2wa2A-5ikmA:
33.1		 2wa2A-5ikmA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
THR A 104
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.5A)
None
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.67A 2wa2A-5ikmA:
33.1		 2wa2A-5ikmA:
50.00
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 ( 4.3A)
 0.44A 2wa2A-5jjrA:
33.4		 2wa2A-5jjrA:
18.37
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
ASP A 185
VAL A 186
THR A 187
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.9A)
 0.44A 2wa2A-5kpgA:
8.1		 2wa2A-5kpgA:
22.69
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
THR A 158
ASP A 185
THR A 187
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.5A)
SAH  A 401 ( 3.9A)
 0.56A 2wa2A-5kpgA:
8.1		 2wa2A-5kpgA:
22.69
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		5 GLY A  70
GLY A 103
THR A  71
THR A  58
ILE A 100
 None
 1.03A 2wa2A-5lxeA:
undetectable		 2wa2A-5lxeA:
20.94
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.2A)
 0.34A 2wa2A-5njuA:
32.7		 2wa2A-5njuA:
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 ( 4.8A)
 0.41A 2wa2A-5tmhA:
32.1		 2wa2A-5tmhA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
 0.52A 2wa2A-5tmhA:
32.1		 2wa2A-5tmhA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 GLY B 402
GLY B  91
GLY B  93
SER B  98
ILE B  90
 None
FAD  B 601 (-3.3A)
FAD  B 601 (-3.2A)
None
FAD  B 601 (-4.9A)
 1.16A 2wa2A-5x1yB:
undetectable		 2wa2A-5x1yB:
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 289
GLY A 321
SER A 291
VAL A 335
ILE A 309
 None
 1.00A 2wa2A-5xxoA:
undetectable		 2wa2A-5xxoA:
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.
6alk -

(-) 		no annotation 5 GLY A  48
GLY A  46
GLU A  45
VAL A  23
ILE A  71
 None
 0.98A 2wa2A-6alkA:
undetectable		 2wa2A-6alkA:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 GLY A 550
SER A 568
THR A 500
LEU A 499
VAL A 524
 None
 1.23A 2wa2A-6em0A:
3.8		 2wa2A-6em0A:
undetectable