SIMILAR PATTERNS OF AMINO ACIDS FOR 2WA2_B_SAMB1267

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
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 SER A  45
HIS A  71
ASP A 153
 None
 0.76A 2wa2B-1azzA:
undetectable		 2wa2B-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.
1cq3 VIRAL CHEMOKINE
INHIBITOR

(Cowpox virus) 		PF02250
(Orthopox_35kD) 		3 SER A 119
HIS A  16
ASP A 108
 None
 0.62A 2wa2B-1cq3A:
undetectable		 2wa2B-1cq3A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dix EXTRACELLULAR
RIBONUCLEASE LE

(Solanum
lycopersicum) 		PF00445
(Ribonuclease_T2) 		3 SER A  87
HIS A 109
ASP A 117
 None
 0.76A 2wa2B-1dixA:
undetectable		 2wa2B-1dixA:
21.53
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.
1f5q GAMMA HERPESVIRUS
CYCLIN

(Murid
gammaherpesvirus
4) 		PF00134
(Cyclin_N) 		3 SER B 149
HIS B 201
ASP B 216
 None
 0.79A 2wa2B-1f5qB:
undetectable		 2wa2B-1f5qB:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 SER A  79
HIS A 144
ASP A 502
 None
 0.61A 2wa2B-1h17A:
undetectable		 2wa2B-1h17A:
17.26
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.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		3 SER A 640
HIS A 699
ASP A 816
 None
 0.70A 2wa2B-1i9zA:
undetectable		 2wa2B-1i9zA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ibg IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H  76
HIS H  35
ASP H  58
 None
OBN  H   1 (-4.1A)
None
 0.69A 2wa2B-1ibgH:
undetectable		 2wa2B-1ibgH:
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.
1iyb RIBONUCLEASE

(Nicotiana
glutinosa) 		PF00445
(Ribonuclease_T2) 		3 SER A  87
HIS A 108
ASP A 116
 None
 0.71A 2wa2B-1iybA:
undetectable		 2wa2B-1iybA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		3 SER A 185
HIS A 227
ASP A  95
 None
None
G  D 915 ( 3.3A)
 0.74A 2wa2B-1j2bA:
undetectable		 2wa2B-1j2bA:
19.35
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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 SER A 204
HIS A 215
ASP A 243
 None
 0.75A 2wa2B-1j4aA:
undetectable		 2wa2B-1j4aA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j89 HIGH AFFINITY
IMMUNOGLOBULIN
EPSILON RECEPTOR
ALPHA-SUBUNIT

(Homo sapiens) 		PF13895
(Ig_2)
PF13927
(Ig_3) 		3 SER A 137
HIS A 108
ASP A 114
 None
 0.80A 2wa2B-1j89A:
undetectable		 2wa2B-1j89A:
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.
1nfd H57 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER E 208
HIS E 189
ASP E 157
 None
 0.76A 2wa2B-1nfdE:
undetectable		 2wa2B-1nfdE:
23.57
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.
1nld FAB1583

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H  76
HIS H  35
ASP H  58
 None
 0.75A 2wa2B-1nldH:
undetectable		 2wa2B-1nldH:
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.
1pw5 NAGD PROTEIN,
PUTATIVE

(Thermotoga
maritima) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 SER A  47
HIS A  80
ASP A 190
 None
 0.71A 2wa2B-1pw5A:
undetectable		 2wa2B-1pw5A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		3 SER A1079
HIS A1144
ASP A1502
 None
 0.63A 2wa2B-1qhmA:
undetectable		 2wa2B-1qhmA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 SER A 277
HIS A 232
ASP A 178
 None
ABD  A1200 ( 3.8A)
ABD  A1200 ( 4.9A)
 0.66A 2wa2B-1qhoA:
undetectable		 2wa2B-1qhoA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t2q FAB NNA7 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H  77
HIS H  36
ASP H  59
 None
 0.64A 2wa2B-1t2qH:
undetectable		 2wa2B-1t2qH:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5t ORC2

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		3 SER A 217
HIS A 241
ASP A 284
 None
 0.71A 2wa2B-1w5tA:
undetectable		 2wa2B-1w5tA:
23.37
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.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		3 SER A 227
HIS A 256
ASP A 317
 None
 0.80A 2wa2B-1wpwA:
undetectable		 2wa2B-1wpwA:
24.57
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		3 SER A 214
HIS A  34
ASP A 316
 None
 0.73A 2wa2B-1wraA:
undetectable		 2wa2B-1wraA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0l HOMOISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 SER A 231
HIS A 260
ASP A 313
 None
 0.78A 2wa2B-1x0lA:
undetectable		 2wa2B-1x0lA:
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.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		3 SER A 104
HIS A 264
ASP A 287
 LEU  A 301 (-3.3A)
None
None
 0.79A 2wa2B-1xqwA:
undetectable		 2wa2B-1xqwA:
20.37
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		3 SER A 242
HIS A 235
ASP A  50
 None
ZN  A 251 (-3.3A)
None
 0.71A 2wa2B-2a7mA:
undetectable		 2wa2B-2a7mA:
20.00
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		3 SER A 301
HIS A 330
ASP A 383
 None
 0.73A 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.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 SER A 204
HIS A 215
ASP A 243
 None
 0.61A 2wa2B-2dldA:
4.7		 2wa2B-2dldA:
22.44
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.
2eg5 XANTHOSINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		3 SER A 316
HIS A 339
ASP A 248
 XTS  A 502 (-2.5A)
None
None
 0.77A 2wa2B-2eg5A:
6.3		 2wa2B-2eg5A:
20.81
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.
2eve HYPOTHETICAL PROTEIN
PSPTO5229

(Pseudomonas
syringae group
genomosp. 3) 		PF01878
(EVE) 		3 SER A  14
HIS A  81
ASP A  77
 None
 0.76A 2wa2B-2eveA:
undetectable		 2wa2B-2eveA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		3 SER A 293
HIS A 269
ASP A  37
 None
ZN  A 401 (-3.6A)
None
 0.64A 2wa2B-2fk6A:
undetectable		 2wa2B-2fk6A:
22.42
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		3 SER C 169
HIS C  85
ASP C 153
 None
 0.73A 2wa2B-2fsvC:
2.1		 2wa2B-2fsvC:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 SER A  97
HIS A  88
ASP A 306
 None
None
MG  A 901 (-2.1A)
 0.77A 2wa2B-2fuvA:
undetectable		 2wa2B-2fuvA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 SER A 437
HIS A  63
ASP A 540
 None
 0.78A 2wa2B-2g3nA:
undetectable		 2wa2B-2g3nA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 SER A 155
HIS A 129
ASP A 117
 BG6  A1002 ( 3.4A)
None
None
 0.73A 2wa2B-2nztA:
undetectable		 2wa2B-2nztA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		3 SER 1 207
HIS 1   5
ASP 1 128
 None
 0.77A 2wa2B-2oap1:
2.9		 2wa2B-2oap1:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oor NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		3 SER C 169
HIS C  85
ASP C 153
 None
 0.75A 2wa2B-2oorC:
undetectable		 2wa2B-2oorC:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		3 SER A 777
HIS A 758
ASP A 764
 None
 0.63A 2wa2B-2pggA:
undetectable		 2wa2B-2pggA:
16.21
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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		3 SER A1331
HIS A1350
ASP A1122
 None
 0.69A 2wa2B-2po3A:
undetectable		 2wa2B-2po3A:
23.35
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		3 SER A  38
HIS A 168
ASP A 310
 None
None
FAD  A 403 (-2.7A)
 0.72A 2wa2B-2rgjA:
3.6		 2wa2B-2rgjA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		3 SER A 455
HIS A 496
ASP A 500
 None
 0.74A 2wa2B-2vwbA:
undetectable		 2wa2B-2vwbA:
17.88
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) 		3 SER A  87
HIS A 111
ASP A 132
 SAM  A1248 (-3.9A)
SAM  A1248 (-3.8A)
SAM  A1248 (-3.6A)
 0.72A 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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		3 SER A 292
HIS A 212
ASP A 264
 None
 0.65A 2wa2B-2zdsA:
undetectable		 2wa2B-2zdsA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		3 SER B 120
HIS B 112
ASP A 772
 None
None
MD1  A1245 (-2.7A)
 0.73A 2wa2B-3egwB:
undetectable		 2wa2B-3egwB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 SER A 273
HIS A 230
ASP A 182
 None
 0.74A 2wa2B-3eh2A:
undetectable		 2wa2B-3eh2A:
16.88
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.
3ila RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF08709
(Ins145_P3_rec) 		3 SER A 119
HIS A 113
ASP A  61
 None
 0.78A 2wa2B-3ilaA:
undetectable		 2wa2B-3ilaA:
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 3 SER A 343
HIS A 333
ASP A 241
 None
 0.80A 2wa2B-3lg5A:
undetectable		 2wa2B-3lg5A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		3 SER X 835
HIS X 922
ASP X 926
 None
 0.73A 2wa2B-3lxuX:
1.9		 2wa2B-3lxuX:
11.64
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.
3o1l FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00551
(Formyl_trans_N) 		3 SER A  97
HIS A 108
ASP A 134
 None
 0.63A 2wa2B-3o1lA:
2.1		 2wa2B-3o1lA:
21.88
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.
3oa4 GLYOXALASE

(Bacillus
halodurans) 		PF13669
(Glyoxalase_4) 		3 SER A 125
HIS A  82
ASP A  10
 None
ZN  A 300 (-3.3A)
None
 0.73A 2wa2B-3oa4A:
undetectable		 2wa2B-3oa4A:
20.93
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		3 SER A 352
HIS A 175
ASP A 288
 GDP  A 663 (-2.6A)
None
None
 0.80A 2wa2B-3p27A:
undetectable		 2wa2B-3p27A:
20.49
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		3 SER A 336
HIS A 169
ASP A 291
 None
 0.75A 2wa2B-3pm0A:
undetectable		 2wa2B-3pm0A:
20.16
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.
3pvl MYOSIN VIIA ISOFORM
1

(Mus musculus) 		PF00784
(MyTH4) 		3 SER A1300
HIS A1318
ASP A1275
 None
 0.78A 2wa2B-3pvlA:
undetectable		 2wa2B-3pvlA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		3 SER A 131
HIS A  34
ASP A  86
 None
 0.54A 2wa2B-3qvmA:
undetectable		 2wa2B-3qvmA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rbn DNA MISMATCH REPAIR
PROTEIN MLH1

(Homo sapiens) 		PF16413
(Mlh1_C) 		3 SER A 210
HIS A 260
ASP A 177
 None
 0.77A 2wa2B-3rbnA:
undetectable		 2wa2B-3rbnA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		3 SER A 925
HIS A 658
ASP A 615
 None
 0.71A 2wa2B-3tsyA:
undetectable		 2wa2B-3tsyA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		3 SER A 926
HIS A 658
ASP A 615
 None
 0.77A 2wa2B-3tsyA:
undetectable		 2wa2B-3tsyA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A1232
HIS A1204
ASP A1209
 None
CU  A1404 ( 3.0A)
None
 0.61A 2wa2B-4e9xA:
undetectable		 2wa2B-4e9xA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		3 SER A  93
HIS A 277
ASP A 314
 None
ZN  A 602 ( 3.2A)
None
 0.77A 2wa2B-4fgmA:
undetectable		 2wa2B-4fgmA:
19.67
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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		3 SER A 173
HIS A 158
ASP A 239
 None
 0.81A 2wa2B-4haoA:
3.5		 2wa2B-4haoA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		3 SER A  32
HIS A  68
ASP A  88
 CL  A 302 (-3.1A)
None
None
 0.63A 2wa2B-4i3fA:
undetectable		 2wa2B-4i3fA:
23.77
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 SER A 119
HIS A 113
ASP A  61
 None
 0.74A 2wa2B-4i7iA:
undetectable		 2wa2B-4i7iA:
19.22
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.
4itm TETRAACYLDISACCHARID
E 4'-KINASE

(Aquifex
aeolicus) 		PF02606
(LpxK) 		3 SER A 131
HIS A 110
ASP A  60
 None
 0.78A 2wa2B-4itmA:
undetectable		 2wa2B-4itmA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		3 SER A 482
HIS A 497
ASP A 127
 None
 0.73A 2wa2B-4iuwA:
undetectable		 2wa2B-4iuwA:
18.96
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		3 SER A 510
HIS A 517
ASP A 460
 None
 0.68A 2wa2B-4k17A:
undetectable		 2wa2B-4k17A:
16.10
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		3 SER A 101
HIS A 205
ASP A 165
 None
 0.75A 2wa2B-4kvlA:
undetectable		 2wa2B-4kvlA:
18.53
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		3 SER A 380
HIS A 372
ASP A 356
 None
 0.48A 2wa2B-4l22A:
undetectable		 2wa2B-4l22A:
15.31
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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		3 SER A 138
HIS A  71
ASP A  78
 None
None
MG  A 302 (-2.5A)
 0.74A 2wa2B-4lfeA:
undetectable		 2wa2B-4lfeA:
20.92
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.
4mt4 CMEC

(Campylobacter
jejuni) 		PF02321
(OEP) 		3 SER A 278
HIS A  66
ASP A  59
 None
 0.69A 2wa2B-4mt4A:
undetectable		 2wa2B-4mt4A:
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 SER A 335
HIS A 121
ASP A 471
 None
NI  A 604 (-3.7A)
None
 0.81A 2wa2B-4n0rA:
undetectable		 2wa2B-4n0rA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 3 SER A 708
HIS A 701
ASP A 697
 None
 0.67A 2wa2B-4nuzA:
undetectable		 2wa2B-4nuzA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		3 SER A 177
HIS A 461
ASP A 237
 None
None
NI  A1001 ( 2.7A)
 0.74A 2wa2B-4q2cA:
undetectable		 2wa2B-4q2cA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		3 SER A 147
HIS A 131
ASP A 285
 None
 0.81A 2wa2B-4r84A:
3.5		 2wa2B-4r84A:
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		3 SER A 147
HIS A 131
ASP A 285
 None
 0.80A 2wa2B-4r9vA:
3.1		 2wa2B-4r9vA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4urn DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		3 SER A 123
HIS A  41
ASP A  35
 None
 0.80A 2wa2B-4urnA:
undetectable		 2wa2B-4urnA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w2q ANTI-MARBURGVIRUS
NUCLEOPROTEIN SINGLE
DOMAIN ANTIBODY C
NUCLEOPROTEIN

(Lama glama;
Marburg
marburgvirus) 		no annotation
no annotation 		3 SER B 658
HIS B 690
ASP A  98
 None
 0.80A 2wa2B-4w2qB:
undetectable		 2wa2B-4w2qB:
16.30
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		3 SER A 404
HIS A 381
ASP A 440
 CL  A 606 (-2.9A)
UNX  A 607 ( 4.6A)
None
 0.53A 2wa2B-4yvdA:
undetectable		 2wa2B-4yvdA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		3 SER B  71
HIS B 101
ASP B  85
 None
 0.69A 2wa2B-4za3B:
undetectable		 2wa2B-4za3B:
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		3 SER A 216
HIS A 225
ASP A 181
 None
 0.79A 2wa2B-5aoyA:
undetectable		 2wa2B-5aoyA:
24.84
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		3 SER A 695
HIS A 179
ASP A 535
 None
None
MTT  A2001 (-3.0A)
 0.78A 2wa2B-5d0fA:
undetectable		 2wa2B-5d0fA:
10.80
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		3 SER A 138
HIS A 149
ASP A  44
 None
 0.71A 2wa2B-5du9A:
undetectable		 2wa2B-5du9A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		3 SER 1 294
HIS 1 314
ASP 1 334
 None
 0.66A 2wa2B-5fmf1:
2.1		 2wa2B-5fmf1:
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		3 SER A 342
HIS A 329
ASP A 255
 None
None
BR  A1638 (-4.5A)
 0.54A 2wa2B-5fqeA:
undetectable		 2wa2B-5fqeA:
18.48
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		3 SER A 112
HIS A 253
ASP A 237
 None
 0.74A 2wa2B-5g5zA:
undetectable		 2wa2B-5g5zA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		3 SER A 279
HIS A 297
ASP A 166
 None
 0.72A 2wa2B-5gaiA:
undetectable		 2wa2B-5gaiA:
16.13
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		3 SER A 226
HIS A 132
ASP A 150
 None
 0.72A 2wa2B-5gggA:
undetectable		 2wa2B-5gggA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hs0 ANKYRIN DOMAIN
PROTEIN ANK1C4_7

(synthetic
construct) 		PF12796
(Ank_2) 		3 SER A  33
HIS A  75
ASP A  95
 None
 0.72A 2wa2B-5hs0A:
undetectable		 2wa2B-5hs0A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		3 SER A 119
HIS A 246
ASP A 259
 None
 0.57A 2wa2B-5ji5A:
3.0		 2wa2B-5ji5A:
24.92
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.
5kba DESIGNED PROTEIN
ANK1C2

(synthetic
construct) 		PF12796
(Ank_2) 		3 SER A  32
HIS A  74
ASP A  94
 None
 0.78A 2wa2B-5kbaA:
undetectable		 2wa2B-5kbaA:
24.19
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		3 SER b 128
HIS B 257
ASP B  71
 None
 0.60A 2wa2B-5l9wb:
undetectable		 2wa2B-5l9wb:
19.25
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.
5mbm DARPIN 8H6

(synthetic
construct) 		no annotation 3 SER C  75
HIS C 117
ASP C 137
 None
 0.81A 2wa2B-5mbmC:
undetectable		 2wa2B-5mbmC:
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.
5mp7 RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Mycolicibacterium
smegmatis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		3 SER A  66
HIS A 138
ASP A 140
 None
 0.77A 2wa2B-5mp7A:
2.8		 2wa2B-5mp7A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 3 SER A 368
HIS A 413
ASP A 513
 None
 0.80A 2wa2B-5ndxA:
undetectable		 2wa2B-5ndxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 3 SER A 397
HIS A 323
ASP A  10
 None
 0.55A 2wa2B-5o6vA:
undetectable		 2wa2B-5o6vA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oom 39S RIBOSOMAL
PROTEIN L22,
MITOCHONDRIAL

(Homo sapiens) 		PF00237
(Ribosomal_L22) 		3 SER T  98
HIS T  75
ASP T 131
 None
 0.77A 2wa2B-5oomT:
undetectable		 2wa2B-5oomT:
21.55
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.
5oqm RNA POLYMERASE II
TRANSCRIPTION FACTOR
B SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 3 SER 3  41
HIS 3  36
ASP 3  60
 ZN  3 401 ( 4.7A)
ZN  3 402 (-3.3A)
None
 0.73A 2wa2B-5oqm3:
undetectable		 2wa2B-5oqm3:
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.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		3 SER A   4
HIS A 249
ASP A  89
 None
 0.81A 2wa2B-5unlA:
5.5		 2wa2B-5unlA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 3 SER A 131
HIS A  95
ASP A 268
 None
 0.80A 2wa2B-5uqrA:
undetectable		 2wa2B-5uqrA:
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.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 SER A 288
HIS A  98
ASP A 124
 None
 0.75A 2wa2B-5xfmA:
undetectable		 2wa2B-5xfmA:
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 3 SER A 326
HIS A 417
ASP A 412
 None
PO4  A1007 (-3.8A)
None
 0.75A 2wa2B-5xsxA:
undetectable		 2wa2B-5xsxA:
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.
6elu SERUM RESISTANCE
ASSOCIATED
VSG PROTEIN

(Trypanosoma
brucei) 		no annotation 3 SER A  66
HIS A 129
ASP A 135
 None
 0.73A 2wa2B-6eluA:
undetectable		 2wa2B-6eluA:
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Vibrio
cholerae;
Streptococcus
pyogenes) 		no annotation 3 SER A 708
HIS A 701
ASP A 697
 None
 0.77A 2wa2B-6en3A:
undetectable		 2wa2B-6en3A:
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.
6eub ANGIOPOIETIN-RELATED
PROTEIN 4

(Homo sapiens) 		no annotation 3 SER A 357
HIS A 333
ASP A 330
 1PE  A 501 ( 4.0A)
None
None
 0.60A 2wa2B-6eubA:
undetectable		 2wa2B-6eubA:
undetectable