SIMILAR PATTERNS OF AMINO ACIDS FOR 2WA2_B_SAMB1267_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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 105
GLY A 434
GLY A 432
THR A 437
ILE A 138
 None
 0.95A 2wa2B-1d2eA:
undetectable		 2wa2B-1d2eA:
23.90
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.
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
 0.91A 2wa2B-1dcuA:
undetectable		 2wa2B-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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A  33
GLY A  59
TRP A  65
LEU A  84
ASP A 124
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.6A)
 0.81A 2wa2B-1eizA:
15.5		 2wa2B-1eizA:
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.
1ep2 DIHYDROOROTATE
DEHYDROGENASE B
(PYRK SUBUNIT)

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		6 SER B  56
GLY B  37
GLY B 117
GLY B 121
GLU B 221
VAL B 180
 FAD  B 503 (-3.2A)
None
None
None
FAD  B 503 (-3.7A)
None
 1.17A 2wa2B-1ep2B:
4.2		 2wa2B-1ep2B:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A  98
GLY B 695
GLY A 140
THR B 698
ILE B 693
 None
ARO  B 384 ( 3.9A)
None
None
None
 0.95A 2wa2B-1ffvA:
undetectable		 2wa2B-1ffvA:
22.63
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.
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
 0.76A 2wa2B-1l2qA:
undetectable		 2wa2B-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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 SER A 141
GLY A 113
GLY A  64
GLY A  43
ILE A  46
 CA  A 904 ( 4.9A)
None
None
CA  A 904 ( 4.4A)
None
 0.89A 2wa2B-1l6rA:
undetectable		 2wa2B-1l6rA:
21.80
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) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A 887 ( 2.8A)
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 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.33A 2wa2B-1r6aA:
39.9		 2wa2B-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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  31
GLY A  27
LEU A  76
VAL A  81
ASP A  86
 None
 1.00A 2wa2B-1uj4A:
undetectable		 2wa2B-1uj4A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcw PROTEASE DEGS

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.96A 2wa2B-1vcwA:
undetectable		 2wa2B-1vcwA:
22.96
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		6 GLY A 261
GLY A 171
GLY A 173
THR A 184
ASP A 258
ILE A 255
 None
SO4  A1391 ( 4.6A)
None
None
None
None
 1.44A 2wa2B-1vz8A:
undetectable		 2wa2B-1vz8A:
22.00
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 216
GLY A 196
GLY A 191
VAL A 171
THR A 170
 NAP  A 500 (-2.6A)
None
NAP  A 500 (-3.4A)
None
NAP  A 500 (-3.1A)
 0.96A 2wa2B-1yqdA:
4.3		 2wa2B-1yqdA:
20.79
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.
1zcw AROMATIC
PRENYLTRANSFERASE

(Streptomyces
sp. CL190) 		PF11468
(PTase_Orf2) 		5 GLY A 116
VAL A  78
THR A  77
ASP A 110
ILE A 109
 None
None
None
MG  A 501 ( 4.5A)
None
 0.92A 2wa2B-1zcwA:
undetectable		 2wa2B-1zcwA:
24.63
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.
1zud ADENYLYLTRANSFERASE
THIF

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY 1  40
GLY 1  37
THR 1  41
LEU 1  73
ILE 1  33
 None
 1.00A 2wa2B-1zud1:
4.8		 2wa2B-1zud1:
21.17
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		6 GLY A  36
GLY A  97
THR A  40
GLU A 327
THR A 395
ILE A  35
 None
 1.30A 2wa2B-2dhtA:
undetectable		 2wa2B-2dhtA:
21.23
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.
2drm ACANTHAMOEBA MYOSIN
IB

(Acanthamoeba) 		PF00018
(SH3_1) 		5 GLY A  38
GLY A  42
TRP A  40
GLU A  20
ILE A  29
 None
 0.98A 2wa2B-2drmA:
undetectable		 2wa2B-2drmA:
10.90
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.
2esw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 7

(Mus musculus) 		PF07653
(SH3_2) 		5 GLY A  40
GLY A  44
TRP A  42
GLU A  22
ILE A  31
 None
 0.91A 2wa2B-2eswA:
undetectable		 2wa2B-2eswA:
17.22
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		7 SER A   4
GLY A  30
TRP A  36
LEU A  63
VAL A  80
THR A  81
ASP A 104
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.9A)
SAM  A 201 ( 4.1A)
SAM  A 201 (-3.7A)
 0.62A 2wa2B-2nyuA:
14.8		 2wa2B-2nyuA:
23.05
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.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		6 GLY A  15
GLY A 106
THR A  14
VAL A  64
ASP A  36
ILE A  35
 None
 1.17A 2wa2B-2nzoA:
undetectable		 2wa2B-2nzoA:
18.55
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) 		9 SER A  57
GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
GLU A 112
ASP A 147
 SAM  A 300 (-2.6A)
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)
None
SAM  A 300 (-3.9A)
 0.57A 2wa2B-2oxtA:
41.1		 2wa2B-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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.0A)
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 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.49A 2wa2B-2oy0A:
39.3		 2wa2B-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) 		6 SER A  56
GLY A  58
GLY A  83
THR A 104
GLU A 111
VAL A 132
 SAH  A 301 (-3.0A)
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)
 1.03A 2wa2B-2oy0A:
39.3		 2wa2B-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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAH  A 500 (-2.5A)
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 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.32A 2wa2B-2px5A:
40.7		 2wa2B-2px5A:
48.92
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) 		5 SER A  56
GLY A  58
GLY A  83
THR A 104
GLU A 111
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.3A)
SAH  A 500 ( 3.7A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
 0.97A 2wa2B-2px5A:
40.7		 2wa2B-2px5A:
48.92
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.
2r3u PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.96A 2wa2B-2r3uA:
undetectable		 2wa2B-2r3uA:
22.92
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.
2r5j MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		PF00500
(Late_protein_L1) 		5 GLY A 116
GLY A 114
THR A 338
ASP A 150
ILE A 117
 None
 0.99A 2wa2B-2r5jA:
undetectable		 2wa2B-2r5jA:
20.96
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) 		11 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
GLU A 112
VAL A 133
THR A 134
ASP A 147
ILE A 148
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
None
SAM  A1248 (-3.4A)
SAM  A1248 (-3.8A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.25A 2wa2B-2wa2A:
37.0		 2wa2B-2wa2A:
100.00
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) 		5 SER A  57
GLY A  59
TRP A  88
THR A 134
ASP A 147
 SAM  A1248 ( 4.7A)
SAM  A1248 ( 3.7A)
SAM  A1248 (-3.7A)
SAM  A1248 (-3.8A)
SAM  A1248 (-3.7A)
 1.00A 2wa2B-2wa2A:
37.0		 2wa2B-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.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 SER A 310
GLY A 117
GLY A 154
THR A 116
THR A 135
 None
 1.00A 2wa2B-2z2xA:
undetectable		 2wa2B-2z2xA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		6 SER A 305
GLY A  85
GLY A 340
TRP A  84
THR A 107
LEU A 360
 None
 1.31A 2wa2B-3b9tA:
undetectable		 2wa2B-3b9tA:
21.67
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 GLY A 108
GLY A 100
THR A 142
LEU A 183
ILE A 178
 None
 1.00A 2wa2B-3bfjA:
2.1		 2wa2B-3bfjA:
21.27
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 ( 2.7A)
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 (-3.7A)
SAM  A4633 ( 4.2A)
 0.39A 2wa2B-3eluA:
39.9		 2wa2B-3eluA:
50.69
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.
3eo4 UNCHARACTERIZED
PROTEIN MJ1062

(Methanocaldococcus
jannaschii) 		PF13302
(Acetyltransf_3) 		5 SER A 449
GLY A 446
GLY A 436
GLY A 417
ILE A 374
 None
MES  A   2 (-3.7A)
None
None
None
 0.95A 2wa2B-3eo4A:
undetectable		 2wa2B-3eo4A:
19.06
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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
ASP A 146
ILE A 147
 SAH  A 901 (-2.6A)
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 (-3.8A)
SAH  A 901 ( 4.2A)
 0.20A 2wa2B-3evcA:
41.1		 2wa2B-3evcA:
52.26
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) 		6 SER A  56
GLY A  58
TRP A  87
THR A 167
ASP A 146
ILE A 147
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.6A)
None
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 1.30A 2wa2B-3evcA:
41.1		 2wa2B-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.
3g48 CHAPERONE CSAA

(Bacillus
anthracis) 		PF01588
(tRNA_bind) 		5 GLY A  15
GLY A 105
GLU A  39
ASP A  36
ILE A  35
 None
 0.90A 2wa2B-3g48A:
undetectable		 2wa2B-3g48A:
21.32
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LEU A 105
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 (-2.7A)
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 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.33A 2wa2B-3gczA:
41.5		 2wa2B-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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLY A 469
GLY A 109
GLY A 586
THR A 108
LEU A 107
 XCC  A 800 (-3.6A)
None
None
None
None
 0.98A 2wa2B-3i04A:
2.7		 2wa2B-3i04A:
17.41
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.
3iic CHEC DOMAIN PROTEIN

(Shewanella
loihica) 		PF13690
(CheX) 		5 GLY A  40
GLY A  44
THR A  93
VAL A  96
ILE A 148
 None
 0.96A 2wa2B-3iicA:
undetectable		 2wa2B-3iicA:
22.14
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		5 GLY A 157
GLY A 155
THR A 150
THR A  89
ILE A 158
 None
 0.95A 2wa2B-3io0A:
undetectable		 2wa2B-3io0A:
25.16
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.
3lgi PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.92A 2wa2B-3lgiA:
undetectable		 2wa2B-3lgiA:
22.45
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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SFG  A 301 (-2.6A)
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 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.38A 2wa2B-3lkzA:
41.0		 2wa2B-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) 		6 SER A  56
GLY A  58
GLY A  83
THR A 104
GLU A 111
VAL A 132
 SFG  A 301 (-2.6A)
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)
 0.93A 2wa2B-3lkzA:
41.0		 2wa2B-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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 6 GLY A 104
GLY A 162
GLY A 159
THR A 163
GLU A 158
ILE A 514
 FAD  A 601 (-3.1A)
FAD  A 601 (-3.1A)
None
None
None
FAD  A 601 (-3.9A)
 1.29A 2wa2B-3nlcA:
undetectable		 2wa2B-3nlcA:
20.86
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A  61
LEU A  58
GLU A  53
ASP A  63
ILE A  65
 None
 0.94A 2wa2B-3o8lA:
undetectable		 2wa2B-3o8lA:
17.20
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 206
GLY A  69
GLY A 194
VAL A  94
ILE A  79
 None
 1.00A 2wa2B-3pv4A:
undetectable		 2wa2B-3pv4A:
22.01
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 SER A 634
GLY A 631
GLY A 466
GLY A 625
LEU A 463
 None
FAD  A 690 (-3.0A)
FAD  A 690 ( 3.7A)
FAD  A 690 ( 4.5A)
None
 0.93A 2wa2B-3pvcA:
6.3		 2wa2B-3pvcA:
16.86
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 GLY A 218
GLY A  70
GLY A 247
THR A 198
ILE A  68
 None
None
None
GOL  A 425 (-4.0A)
None
 0.91A 2wa2B-3r7tA:
undetectable		 2wa2B-3r7tA:
21.93
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 339
GLY A 164
GLU A 165
THR A 302
ILE A 171
 None
 0.89A 2wa2B-3tx8A:
undetectable		 2wa2B-3tx8A:
23.88
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 421
GLU A 499
VAL A 517
THR A 518
ILE A 496
 None
 0.93A 2wa2B-3ua4A:
4.3		 2wa2B-3ua4A:
17.48
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 421
GLY A 414
VAL A 517
THR A 518
ILE A 496
 None
 0.91A 2wa2B-3ua4A:
4.3		 2wa2B-3ua4A:
17.48
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		6 GLY A 255
GLY A  40
THR A   8
LEU A   9
ASP A 166
ILE A 136
 ATP  A 401 (-3.3A)
None
None
None
MG  A 403 (-3.1A)
None
 1.36A 2wa2B-3uqeA:
undetectable		 2wa2B-3uqeA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 GLY A 930
GLY A 911
GLY A1010
THR A1013
LEU A1017
ILE A 910
 None
 1.48A 2wa2B-3w9hA:
undetectable		 2wa2B-3w9hA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 SER A 277
GLY A 132
GLY A 128
THR A 136
ILE A  89
 None
 0.92A 2wa2B-4ccwA:
undetectable		 2wa2B-4ccwA:
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		6 SER A 625
GLY A 597
GLU A 564
VAL A 578
THR A 577
ILE A 613
 None
None
EDO  A2021 ( 3.0A)
None
None
EDO  A1990 ( 4.1A)
 1.43A 2wa2B-4cu8A:
undetectable		 2wa2B-4cu8A:
14.64
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.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A 291
GLY A  15
THR A  42
ASP A   6
ILE A  12
 None
 0.96A 2wa2B-4db3A:
undetectable		 2wa2B-4db3A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 295
THR A 309
GLU A 298
THR A 254
ILE A 296
 None
 0.92A 2wa2B-4h7uA:
2.6		 2wa2B-4h7uA:
17.24
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 SER A  99
GLY A 100
GLY A 116
GLU A 137
ILE A 159
 None
 0.96A 2wa2B-4hdjA:
undetectable		 2wa2B-4hdjA:
24.55
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A 191
GLU A 194
VAL A 228
THR A 229
ILE A 186
 None
None
None
1ED  A 406 (-4.3A)
None
 0.99A 2wa2B-4ictA:
undetectable		 2wa2B-4ictA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.55A 2wa2B-4k6mA:
40.4		 2wa2B-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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 6 GLY A 181
GLY A 177
GLY A 106
LEU A 137
GLU A 153
VAL A 175
 F6P  A 701 (-3.6A)
None
None
None
None
None
 1.40A 2wa2B-4lc9A:
undetectable		 2wa2B-4lc9A:
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.
4n0n REPLICASE
POLYPROTEIN 1AB

(Equine
arteritis virus) 		PF01443
(Viral_helicase1) 		6 SER A 162
GLY A 163
GLY A 261
GLY A 263
GLU A 157
VAL A 259
 SO4  A 508 (-4.0A)
SO4  A 508 (-3.6A)
None
None
None
None
 1.44A 2wa2B-4n0nA:
undetectable		 2wa2B-4n0nA:
22.27
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
THR A 301
LEU A 302
THR A 337
ASP A 364
 SAM  A 601 (-3.5A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 ( 3.9A)
SAM  A 601 (-3.6A)
 0.56A 2wa2B-4n49A:
15.7		 2wa2B-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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 GLY A 124
GLY A 184
GLY A 159
GLU A 120
ILE A 186
 None
 0.97A 2wa2B-4phbA:
undetectable		 2wa2B-4phbA:
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.92A 2wa2B-4qi4A:
2.5		 2wa2B-4qi4A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 SER A 506
GLY A 510
GLY A 493
LEU A 489
THR A 730
 None
 0.92A 2wa2B-4qi4A:
2.5		 2wa2B-4qi4A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.94A 2wa2B-4qi6A:
2.1		 2wa2B-4qi6A:
16.15
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 SER A 506
GLY A 510
GLY A 493
LEU A 489
THR A 730
 None
 0.93A 2wa2B-4qi6A:
2.1		 2wa2B-4qi6A:
16.15
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 6 SER A 511
GLY A 514
GLY A 519
THR A 520
VAL A 522
ILE A 548
 None
 1.39A 2wa2B-4ru5A:
undetectable		 2wa2B-4ru5A:
17.37
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		5 GLY A 105
GLY A 139
GLU A 146
VAL A 189
ASP A 125
 TNR  A 303 (-3.2A)
None
None
None
CA  A 302 ( 2.1A)
 0.88A 2wa2B-4u36A:
undetectable		 2wa2B-4u36A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1698
LEU A1720
THR A1757
ASP A1779
 None
 0.96A 2wa2B-4uclA:
10.5		 2wa2B-4uclA:
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 GLY A 696
GLY A 630
GLY A 660
GLU A 661
VAL A 626
 None
 1.00A 2wa2B-4xprA:
undetectable		 2wa2B-4xprA:
19.00
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 203
GLY A  66
GLY A 191
VAL A  91
ILE A  76
 None
 0.91A 2wa2B-4ynnA:
undetectable		 2wa2B-4ynnA:
20.83
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.
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
 0.92A 2wa2B-4zqgA:
3.7		 2wa2B-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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 GLY A 351
GLY A 295
GLY A 323
LEU A 273
ILE A 296
 None
 0.97A 2wa2B-5aexA:
undetectable		 2wa2B-5aexA:
19.44
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.
5di0 NATTERIN-LIKE
PROTEIN

(Danio rerio) 		PF03318
(ETX_MTX2) 		5 GLY A  51
GLY A  26
GLY A  22
LEU A 142
THR A 148
 None
PEG  A 410 (-4.1A)
None
None
None
 0.95A 2wa2B-5di0A:
undetectable		 2wa2B-5di0A:
23.43
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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAM  A 301 (-2.7A)
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 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.35A 2wa2B-5e9qA:
40.2		 2wa2B-5e9qA:
48.54
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) 		5 SER A  56
GLY A  58
GLY A  83
THR A 104
GLU A 111
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.4A)
 0.97A 2wa2B-5e9qA:
40.2		 2wa2B-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) 		6 GLY A 242
GLY A 227
VAL A 185
THR A 184
ASP A 240
ILE A 241
 None
 1.13A 2wa2B-5f83A:
undetectable		 2wa2B-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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 SER A 599
GLY A 968
GLY A 671
THR A 171
LEU A 170
 None
 1.00A 2wa2B-5fdnA:
undetectable		 2wa2B-5fdnA:
14.93
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.
5ff5 PAAA

(Pantoea
agglomerans) 		PF00899
(ThiF) 		5 GLY A 144
GLY A 141
THR A 145
LEU A 177
ILE A 137
 None
SO4  A 401 ( 3.7A)
None
None
None
 0.95A 2wa2B-5ff5A:
3.6		 2wa2B-5ff5A:
23.19
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		6 GLY B 762
GLY B 965
GLY B 962
THR B 954
GLU B 961
THR B 833
 None
 1.47A 2wa2B-5fq6B:
undetectable		 2wa2B-5fq6B:
14.29
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 SER A  56
GLY A  58
GLY A  81
GLY A  83
THR A 104
GLU A 111
VAL A 132
ILE A 147
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.5A)
None
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.61A 2wa2B-5ikmA:
40.2		 2wa2B-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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAM  A 311 ( 2.7A)
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)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.30A 2wa2B-5ikmA:
40.2		 2wa2B-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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		6 GLY A 442
GLY A 678
GLY A 680
THR A 679
THR A 618
ILE A 614
 None
 1.48A 2wa2B-5j44A:
undetectable		 2wa2B-5j44A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 213
GLY A  82
GLY A 201
VAL A 106
ILE A  91
 None
 0.90A 2wa2B-5jd8A:
undetectable		 2wa2B-5jd8A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.25A 2wa2B-5jjrA:
40.0		 2wa2B-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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 SER A  56
GLY A  58
GLY A  83
THR A 104
GLU A 111
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.2A)
SAH  A1003 (-3.5A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.3A)
 0.91A 2wa2B-5jjrA:
40.0		 2wa2B-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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 GLY A 381
GLY A  72
GLY A 161
LEU A 163
THR A 182
 None
 0.94A 2wa2B-5jxuA:
undetectable		 2wa2B-5jxuA:
21.74
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
THR A 158
VAL A 186
THR A 187
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.9A)
 0.55A 2wa2B-5kpgA:
8.5		 2wa2B-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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 6 GLY E 259
GLY E  35
GLY E 161
GLU E 164
VAL E  60
THR E  57
 None
 1.36A 2wa2B-5n6yE:
undetectable		 2wa2B-5n6yE:
20.84
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 10 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.29A 2wa2B-5njuA:
38.9		 2wa2B-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.
5sui RIBOSOME BIOGENESIS
PROTEIN NSA1

(Saccharomyces
cerevisiae) 		no annotation 6 GLY A 361
LEU A 380
VAL A 347
THR A 341
ASP A 364
ILE A 365
 None
 1.23A 2wa2B-5suiA:
undetectable		 2wa2B-5suiA:
21.36
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.5A)
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 (-3.8A)
SAH  A1001 ( 4.8A)
 0.46A 2wa2B-5tmhA:
38.9		 2wa2B-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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 215
GLY A 195
GLY A 190
VAL A 170
THR A 169
 NAP  A 405 (-2.7A)
None
NAP  A 405 (-3.3A)
None
NAP  A 405 (-2.7A)
 0.97A 2wa2B-5vktA:
4.6		 2wa2B-5vktA:
22.10
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 SER A  88
GLY A  85
GLY A 445
GLY A 437
GLU A 436
 None
None
CL  A 505 ( 3.7A)
None
None
 0.99A 2wa2B-5x4jA:
undetectable		 2wa2B-5x4jA:
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 SER A  50
GLY A  52
GLY A  20
THR A  23
ILE A 381
 FAD  A 501 (-2.8A)
FAD  A 501 (-3.7A)
None
None
None
 0.98A 2wa2B-5xaoA:
2.3		 2wa2B-5xaoA:
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.
5xg9 UNCONVENTIONAL
MYOSIN IB

(Entamoeba
histolytica) 		no annotation 5 GLY B  35
GLY B  39
TRP B  37
GLU B  18
ILE B  27
 1PE  B 101 (-4.1A)
None
None
PEU  B 102 (-4.4A)
None
 0.87A 2wa2B-5xg9B:
undetectable		 2wa2B-5xg9B:
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.
6alk -

(-) 		no annotation 5 GLY A  48
GLY A  46
GLU A  45
VAL A  23
ILE A  71
 None
 0.95A 2wa2B-6alkA:
undetectable		 2wa2B-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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 SER A  68
GLY A  59
GLY A 115
VAL A  85
ILE A  74
 None
 1.00A 2wa2B-6c80A:
undetectable		 2wa2B-6c80A:
undetectable