SIMILAR PATTERNS OF AMINO ACIDS FOR 1NW3_A_SAMA500

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.
1a9n U2A'

(Homo sapiens) 		PF14580
(LRR_9) 		5 GLU A  10
PHE A  60
LEU A  57
PHE A  44
PHE A  49
 None
 1.29A 1nw3A-1a9nA:
undetectable		 1nw3A-1a9nA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 TYR A 501
ASP A 618
GLY A 538
ALA A 453
PHE A 536
 None
 1.29A 1nw3A-1c7tA:
undetectable		 1nw3A-1c7tA:
18.82
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 GLU A 275
GLY A 238
PHE A 239
LEU A 195
ASN A 234
 None
 1.23A 1nw3A-1jaeA:
undetectable		 1nw3A-1jaeA:
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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		5 GLU A  34
GLY A  28
ALA A 250
PHE A  74
PHE A  63
 None
CBH  A 601 (-3.5A)
None
None
None
 1.32A 1nw3A-1lt8A:
undetectable		 1nw3A-1lt8A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ASP A 120
GLY A 153
ALA A 186
LEU A 220
ASN A 149
 None
None
None
None
PLP  A1110 (-3.6A)
 1.35A 1nw3A-1m54A:
2.4		 1nw3A-1m54A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		5 GLY A 556
VAL A 406
ALA A 583
LEU A 378
PHE A 507
 None
 1.13A 1nw3A-1nrfA:
undetectable		 1nw3A-1nrfA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 ASP X 111
GLY X  48
VAL X 148
PHE X  52
ASN X  50
 None
 1.28A 1nw3A-1ogoX:
undetectable		 1nw3A-1ogoX:
19.80
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU B 445
ALA B 452
PHE B 464
LEU B 470
PHE B 479
 None
None
None
None
K  B 703 ( 4.8A)
 1.16A 1nw3A-1ovlB:
undetectable		 1nw3A-1ovlB:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans) 		PF00510
(COX3) 		5 GLY C 214
VAL C 260
ALA C 190
LEU C 200
PHE C 101
 None
 1.21A 1nw3A-1qleC:
undetectable		 1nw3A-1qleC:
17.42
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ASP A 138
GLY A 140
ALA A 241
PHE A 227
PHE A 254
 None
 1.30A 1nw3A-1to6A:
undetectable		 1nw3A-1to6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 GLU A 275
ALA A 244
PHE A 211
PHE A 136
ASN A 298
 None
 1.15A 1nw3A-1toaA:
2.9		 1nw3A-1toaA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		7 TYR A 372
GLU A 374
ASP A 397
GLY A 399
PHE A 460
ASN A 479
PHE A 483
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
SAH  A 801 (-3.5A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.7A)
 0.44A 1nw3A-1u2zA:
29.1		 1nw3A-1u2zA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		5 GLU A 138
VAL A 140
ALA A 191
PHE A 153
PHE A 124
 None
 1.32A 1nw3A-1vffA:
undetectable		 1nw3A-1vffA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A1350
ALA A1011
PHE A1324
LEU A1015
PHE A1333
 None
 1.21A 1nw3A-1wufA:
undetectable		 1nw3A-1wufA:
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 ALA A 299
PHE A 258
LEU A 314
PHE A 227
PHE A 283
 None
 1.29A 1nw3A-1xfkA:
3.0		 1nw3A-1xfkA:
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 ASP A 167
GLY A 170
ALA A 191
LEU A 221
PHE A 207
 None
 1.05A 1nw3A-1xr4A:
undetectable		 1nw3A-1xr4A:
22.39
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.
2a5y APOPTOSIS REGULATOR
CED-9

(Caenorhabditis
elegans) 		PF00452
(Bcl-2)
PF02180
(BH4) 		5 GLU A 112
ASP A  86
VAL A 109
PHE A  88
LEU A 198
 None
 1.34A 1nw3A-2a5yA:
undetectable		 1nw3A-2a5yA:
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 577
ASP A 554
ALA A 512
PHE A 505
LEU A 504
 None
 1.12A 1nw3A-2d3tA:
5.4		 1nw3A-2d3tA:
19.78
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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 GLU A 406
ASP A  67
GLY A  83
ALA A 432
LEU A  91
 None
 1.21A 1nw3A-2f9qA:
undetectable		 1nw3A-2f9qA:
21.48
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 GLU A  11
GLY A  48
ALA A  99
PHE A  50
PHE A  66
 None
None
None
GOL  A2000 (-4.9A)
None
 1.17A 1nw3A-2ftpA:
undetectable		 1nw3A-2ftpA:
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 604
GLY A 641
PHE A 695
LEU A 723
PHE A 647
 None
 0.91A 1nw3A-2g5tA:
undetectable		 1nw3A-2g5tA:
18.68
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLU A 351
ALA A 345
LEU A 199
PHE A 299
PHE A 279
 None
 1.34A 1nw3A-2haeA:
4.7		 1nw3A-2haeA:
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		5 TYR A 202
GLU A 155
ASP A 160
ALA A 307
LEU A 337
 VDM  A1548 (-4.5A)
None
VDM  A1548 (-3.0A)
VDM  A1548 (-3.5A)
None
 1.31A 1nw3A-2jf4A:
undetectable		 1nw3A-2jf4A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jp2 SPROUTY-RELATED,
EVH1
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00568
(WH1) 		5 TYR A  83
GLY A 101
VAL A  43
LYS A  99
PHE A  90
 None
 1.18A 1nw3A-2jp2A:
undetectable		 1nw3A-2jp2A:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 605
GLY A 642
PHE A 696
LEU A 724
PHE A 648
 None
 0.97A 1nw3A-2oaeA:
undetectable		 1nw3A-2oaeA:
19.52
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.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		5 GLY A 236
VAL A 364
ALA A  68
PHE A  60
LEU A  44
 None
 1.28A 1nw3A-2or0A:
undetectable		 1nw3A-2or0A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		5 GLY A 236
VAL A 364
ALA A  68
PHE A  60
PHE A 233
 None
 0.89A 1nw3A-2or0A:
undetectable		 1nw3A-2or0A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 GLU A  81
GLY A  78
ALA A 110
LEU A 332
PHE A 430
 None
 1.31A 1nw3A-2qgmA:
undetectable		 1nw3A-2qgmA:
22.22
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.
2vd2 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF01634
(HisG) 		5 GLU A  63
GLY A  70
ALA A  53
LEU A  48
ASN A 185
 None
 1.28A 1nw3A-2vd2A:
undetectable		 1nw3A-2vd2A:
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 GLY A 208
PHE A 238
LEU A 234
ASN A 213
PHE A  96
 None
 1.11A 1nw3A-2wk8A:
3.1		 1nw3A-2wk8A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		5 GLY A 256
VAL A 263
LEU A 307
PHE A 206
ASN A 273
 None
 1.33A 1nw3A-2z4tA:
3.1		 1nw3A-2z4tA:
20.99
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 GLY A 335
ALA A 236
PHE A 333
LEU A 369
PHE A 351
 UD2  A 683 ( 4.8A)
None
None
None
None
 1.27A 1nw3A-2z87A:
undetectable		 1nw3A-2z87A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		5 VAL A 272
ALA A 333
LEU A 254
PHE A 243
PHE A 344
 None
 1.06A 1nw3A-3b5iA:
4.5		 1nw3A-3b5iA:
21.59
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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 TYR A 382
GLY A 111
VAL A  65
ALA A 106
PHE A  68
 None
 1.12A 1nw3A-3c0kA:
11.2		 1nw3A-3c0kA:
21.91
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.
3dtp MYOSIN REGULATORY
LIGHT CHAIN

(Avicularia
avicularia) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		5 GLU E  58
GLY E 195
ALA E 191
PHE E 111
PHE E  83
 None
 1.33A 1nw3A-3dtpE:
undetectable		 1nw3A-3dtpE:
21.41
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.
3ki8 BETA
UREIDOPROPIONASE
(BETA-ALANINE
SYNTHASE)

(Pyrococcus
abyssi) 		PF00795
(CN_hydrolase) 		5 VAL A 173
PHE A 124
LEU A  95
ASN A  49
PHE A  50
 ACY  A3001 (-3.8A)
None
None
None
None
 1.33A 1nw3A-3ki8A:
undetectable		 1nw3A-3ki8A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 GLY A  38
ALA A 457
PHE A  34
LEU A  30
ASN A 275
 None
 1.21A 1nw3A-3lvvA:
undetectable		 1nw3A-3lvvA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLU A 166
ALA A 192
PHE A 363
LEU A 354
PHE A 199
 FAD  A 416 ( 4.3A)
None
None
None
None
 1.33A 1nw3A-3lxdA:
2.1		 1nw3A-3lxdA:
21.27
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.
3msv NUCLEAR IMPORT
ADAPTOR, NRO1

(Schizosaccharomyces
pombe) 		PF12753
(Nro1) 		5 GLU A 295
ASP A 247
GLY A 246
PHE A 249
LEU A  32
 None
 1.33A 1nw3A-3msvA:
undetectable		 1nw3A-3msvA:
21.01
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.
3n9b PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		PF13298
(LigD_N) 		5 GLU A 135
ALA A 112
PHE A 130
LEU A 128
PHE A  51
 YT3  A 190 ( 2.2A)
None
None
None
None
 1.26A 1nw3A-3n9bA:
undetectable		 1nw3A-3n9bA:
18.63
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 GLY A 322
VAL A 277
ALA A  81
LEU A  85
PHE A  93
 PLP  A 701 (-3.3A)
SO4  A 702 ( 4.1A)
None
None
None
 1.07A 1nw3A-3nzpA:
2.1		 1nw3A-3nzpA:
19.97
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.
3oaa ATP SYNTHASE GAMMA
CHAIN

(Escherichia
coli) 		PF00231
(ATP-synt) 		5 GLU G 147
ASP G  83
GLY G 118
ALA G 115
LEU G  94
 None
SO4  G 300 (-3.3A)
SO4  G 300 ( 3.7A)
None
None
 1.20A 1nw3A-3oaaG:
undetectable		 1nw3A-3oaaG:
24.07
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.
3pvs REPLICATION-ASSOCIAT
ED RECOMBINATION
PROTEIN A

(Escherichia
coli) 		PF00004
(AAA)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2) 		5 GLU A 223
GLY A 329
ALA A 334
PHE A 321
LEU A 289
 None
 1.32A 1nw3A-3pvsA:
3.1		 1nw3A-3pvsA:
22.76
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.
3pym GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLU A  77
ASP A  33
GLY A   8
ALA A  93
PHE A  35
 None
NAD  A 333 (-2.9A)
NAD  A 333 (-3.4A)
None
NAD  A 333 ( 4.7A)
 1.34A 1nw3A-3pymA:
undetectable		 1nw3A-3pymA:
21.69
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 550
ASP A 600
GLY A 597
ALA A 594
LEU A 607
 None
 1.31A 1nw3A-3qdeA:
undetectable		 1nw3A-3qdeA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 550
ASP A 600
GLY A 597
LEU A 607
PHE A 562
 None
 1.16A 1nw3A-3qdeA:
undetectable		 1nw3A-3qdeA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)

(Doryteuthis
pealeii) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLU A 136
ASP A  26
GLY A  25
VAL A 129
PHE A  28
 None
 1.29A 1nw3A-3qr1A:
undetectable		 1nw3A-3qr1A:
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 374
GLY A 186
ALA A 181
PHE A 194
ASN A 446
 None
 1.07A 1nw3A-3rj8A:
undetectable		 1nw3A-3rj8A:
24.17
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ASP A 330
GLY A 502
ALA A 425
PHE A 334
ASN A 500
 None
None
None
0AF  A 333 (-3.5A)
GL3  A 464 (-3.1A)
 1.25A 1nw3A-3sqgA:
undetectable		 1nw3A-3sqgA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 502
VAL A 492
ALA A 425
PHE A 334
ASN A 500
 None
0AF  A 333 ( 4.5A)
None
0AF  A 333 (-3.5A)
GL3  A 464 (-3.1A)
 1.21A 1nw3A-3sqgA:
undetectable		 1nw3A-3sqgA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8j PROTEIN
DISULFIDE-ISOMERASE
A6

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 GLY A  79
VAL A  39
ALA A  68
LEU A  20
PHE A  35
 None
None
None
K  A 201 ( 4.5A)
None
 1.03A 1nw3A-3w8jA:
undetectable		 1nw3A-3w8jA:
17.65
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 288
VAL A 612
ALA A 159
LEU A 310
PHE A 628
 None
 1.13A 1nw3A-3w9hA:
undetectable		 1nw3A-3w9hA:
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 GLU A 531
ASP A 538
GLY A 536
ALA A 559
PHE A 489
 None
 1.26A 1nw3A-3zdrA:
2.3		 1nw3A-3zdrA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 GLU A 531
ASP A 538
GLY A 536
ALA A 562
PHE A 489
 None
 1.29A 1nw3A-3zdrA:
2.3		 1nw3A-3zdrA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLY A 669
VAL A 636
PHE A 671
LEU A 727
PHE A 638
 None
 1.34A 1nw3A-4b9yA:
undetectable		 1nw3A-4b9yA:
18.19
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 TYR A 638
GLU A 737
GLY A 716
ALA A 649
LEU A 656
 None
 1.05A 1nw3A-4btpA:
undetectable		 1nw3A-4btpA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 GLU A 684
GLY A 610
VAL A 668
PHE A 524
LEU A 527
 None
 1.31A 1nw3A-4c4aA:
0.0		 1nw3A-4c4aA:
18.52
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 GLY A 119
VAL A 148
ALA A 437
PHE A 115
ASN A  81
 None
 1.25A 1nw3A-4dzhA:
2.5		 1nw3A-4dzhA:
22.39
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		5 GLU A  88
ALA A  59
PHE A 148
PHE A 156
PHE A 143
 None
 1.24A 1nw3A-4e1eA:
undetectable		 1nw3A-4e1eA:
23.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		8 ASP A 161
GLY A 163
VAL A 169
ALA A 188
PHE A 223
LEU A 224
ASN A 241
PHE A 245
 AW2  A 502 (-2.9A)
AW2  A 502 (-3.2A)
AW2  A 502 (-4.4A)
AW2  A 502 (-3.6A)
AW2  A 502 (-3.4A)
AW2  A 502 ( 4.3A)
AW2  A 502 (-4.3A)
AW2  A 502 (-4.3A)
 0.34A 1nw3A-4er6A:
42.1		 1nw3A-4er6A:
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.
4g59 M152 PROTEIN

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		5 GLU C 140
VAL C 138
PHE C  78
PHE C  87
PHE C  95
 None
 1.03A 1nw3A-4g59C:
undetectable		 1nw3A-4g59C:
20.52
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 TYR A 246
GLU A 278
ASP A 296
GLY A 299
ALA A 255
 None
 1.19A 1nw3A-4hdjA:
undetectable		 1nw3A-4hdjA:
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		5 GLU A 394
VAL A 391
PHE A 318
LEU A 294
PHE A 345
 None
 1.26A 1nw3A-4hwvA:
undetectable		 1nw3A-4hwvA:
22.29
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 ASP A  57
GLY A  59
LEU A 128
PHE A 120
ASN A 122
 None
SAH  A 502 (-3.6A)
None
None
SAH  A 502 (-3.9A)
 1.26A 1nw3A-4krgA:
11.7		 1nw3A-4krgA:
22.37
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.
4nae HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Geobacillus
kaustophilus) 		PF01884
(PcrB) 		5 TYR A 118
GLU A 161
ALA A 115
LEU A 152
ASN A  86
 None
1GP  A 301 (-2.7A)
None
None
None
 1.34A 1nw3A-4naeA:
undetectable		 1nw3A-4naeA:
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 TYR A 445
GLY A 434
PHE A 284
LEU A 266
ASN A 515
 None
 1.26A 1nw3A-4ox2A:
undetectable		 1nw3A-4ox2A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		5 TYR A   7
GLU A 261
PHE A 278
LEU A 229
PHE A 252
 None
 1.25A 1nw3A-4pspA:
undetectable		 1nw3A-4pspA:
22.46
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 ASP A 147
GLY A 146
ALA A  68
PHE A 129
LEU A 130
 None
 1.27A 1nw3A-4qt9A:
undetectable		 1nw3A-4qt9A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 VAL B 166
ALA B 176
PHE B 140
PHE B 158
PHE B 154
 None
 1.32A 1nw3A-4qtuB:
12.1		 1nw3A-4qtuB:
19.86
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		5 GLY A 201
ALA A 194
PHE A 163
LEU A 160
ASN A 203
 UNL  A1407 ( 3.2A)
None
None
None
None
 1.13A 1nw3A-4uybA:
undetectable		 1nw3A-4uybA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ASP A 176
GLY A 177
ALA A 194
PHE A 198
LEU A 263
 None
 1.32A 1nw3A-4wz9A:
undetectable		 1nw3A-4wz9A:
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 336
VAL A 346
ALA A 400
PHE A 408
LEU A 411
 None
 1.15A 1nw3A-4xr9A:
3.9		 1nw3A-4xr9A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ydk HEAVY CHAIN OF
ANTIBODY
C38-VRC16.01
LIGHT CHAIN OF
ANTIBODY
C38-VRC16.01

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L  96
PHE L  98
LEU H  45
ASN H 100
PHE H 100
 None
 1.32A 1nw3A-4ydkL:
undetectable		 1nw3A-4ydkL:
19.62
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.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ASP A  75
VAL A   7
ALA A 114
PHE A 122
PHE A 103
 None
NAD  A 300 (-4.9A)
None
None
None
 1.21A 1nw3A-4ywjA:
3.6		 1nw3A-4ywjA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE
FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei;
Trypanosoma
brucei) 		no annotation
PF00348
(polyprenyl_synt) 		5 GLU B  93
ALA A  58
PHE B 153
PHE B 161
PHE B 148
 None
 1.30A 1nw3A-5ahuB:
undetectable		 1nw3A-5ahuB:
21.68
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		5 GLU A 333
ALA A 228
PHE A 244
LEU A 245
ASN A 330
 None
 1.22A 1nw3A-5d6oA:
undetectable		 1nw3A-5d6oA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dic ODORANT-BINDING
PROTEIN

(Phormia regina) 		PF01395
(PBP_GOBP) 		5 GLU A  29
GLY A  49
VAL A  20
PHE A  53
PHE A  16
 None
None
None
PLM  A 201 ( 3.7A)
None
 0.88A 1nw3A-5dicA:
undetectable		 1nw3A-5dicA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		10 ASP A 161
GLY A 163
VAL A 169
LYS A 187
ALA A 188
PHE A 223
LEU A 224
PHE A 239
ASN A 241
PHE A 245
 None
None
None
None
None
None
None
5F7  A 401 (-3.9A)
5F7  A 401 (-3.6A)
None
 0.48A 1nw3A-5dtrA:
39.8		 1nw3A-5dtrA:
92.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		7 ASP A 161
GLY A 163
VAL A 170
LYS A 187
ALA A 188
PHE A 223
LEU A 224
 None
 1.49A 1nw3A-5dtrA:
39.8		 1nw3A-5dtrA:
92.22
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		5 VAL A  46
PHE A  66
LEU A  69
ASN A 306
PHE A 317
 None
 1.17A 1nw3A-5hgcA:
undetectable		 1nw3A-5hgcA:
21.27
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.
5i77 ENDO-BETA-1,
4-GLUCANASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 GLY A  36
ALA A 301
PHE A  74
LEU A 116
PHE A 264
 None
 1.34A 1nw3A-5i77A:
undetectable		 1nw3A-5i77A:
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 GLY A 368
ALA A 472
LEU A 443
ASN A 431
PHE A 425
 None
 1.18A 1nw3A-5jbgA:
2.2		 1nw3A-5jbgA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 GLY A 665
ALA A 260
PHE A 668
ASN A 640
PHE A 641
 None
 1.34A 1nw3A-5jxkA:
undetectable		 1nw3A-5jxkA:
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.
5map DTPA

(Streptomyces
lividans) 		PF04261
(Dyp_perox) 		5 GLY A 155
VAL A 101
PHE A 156
LEU A 442
PHE A 103
 None
 1.22A 1nw3A-5mapA:
undetectable		 1nw3A-5mapA:
22.54
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 GLU C 165
GLY C 302
VAL C 168
ALA C 149
LEU C 383
 None
 1.25A 1nw3A-5mg5C:
undetectable		 1nw3A-5mg5C:
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.
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3

(Homo sapiens) 		PF00069
(Pkinase)
PF12202
(OSR1_C) 		5 GLU A 228
GLY A 164
VAL A 226
PHE A 149
PHE A 146
 None
 1.11A 1nw3A-5o2cA:
undetectable		 1nw3A-5o2cA:
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 123
VAL A 142
PHE A 147
PHE A 156
PHE A 167
 None
 1.14A 1nw3A-5oljA:
undetectable		 1nw3A-5oljA:
20.52
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.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB

(Shigella
flexneri) 		PF00006
(ATP-synt_ab) 		5 TYR A 418
GLU A 419
PHE A 367
LEU A 371
PHE A 407
 None
 1.33A 1nw3A-5swjA:
undetectable		 1nw3A-5swjA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLU B 326
GLY B 268
VAL B 323
LEU B 375
PHE B 285
 None
 1.31A 1nw3A-5tchB:
undetectable		 1nw3A-5tchB:
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 259
VAL A 233
LEU A 109
PHE A 241
ASN A 243
 None
 1.22A 1nw3A-5u2aA:
2.8		 1nw3A-5u2aA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4p 26S PROTEASOME
REGULATORY SUBUNIT
RPN8

(Saccharomyces
cerevisiae) 		PF01398
(JAB) 		5 GLU A  87
GLY A  91
VAL A  48
PHE A 110
LEU A 109
 None
 1.32A 1nw3A-5u4pA:
undetectable		 1nw3A-5u4pA:
18.16
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.
5u68 MPE8

(Homo sapiens) 		PF07686
(V-set) 		5 GLY E 262
ALA E  80
PHE E 264
LEU E  64
PHE E 130
 None
 1.08A 1nw3A-5u68E:
undetectable		 1nw3A-5u68E:
19.10
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.
5ub6 PHOSPHATE-BINDING
PROTEIN

(Xanthomonas
citri) 		no annotation 5 LYS A 226
PHE A 127
LEU A 125
PHE A 199
ASN A 195
 None
 1.32A 1nw3A-5ub6A:
undetectable		 1nw3A-5ub6A:
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 ASP A 279
GLY A 342
VAL A 346
LEU A 300
PHE A 270
 None
 1.32A 1nw3A-5udyA:
undetectable		 1nw3A-5udyA:
20.64
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 VAL A 384
ALA A 358
PHE A 375
LEU A 370
ASN A 349
 None
 1.33A 1nw3A-5urbA:
undetectable		 1nw3A-5urbA:
22.76
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.
5w75 ELONGATION FACTOR TU

(Thermotoga
neapolitana) 		no annotation 5 GLY A 173
VAL A 141
ALA A 185
PHE A 134
LEU A 192
 None
 1.32A 1nw3A-5w75A:
undetectable		 1nw3A-5w75A:
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 GLU A 239
GLY A 175
VAL A 237
ALA A 272
PHE A 232
 None
 1.28A 1nw3A-5xa2A:
2.9		 1nw3A-5xa2A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 GLU A2307
VAL A2090
ALA A2320
PHE A2111
ASN A2325
 None
 1.28A 1nw3A-6fayA:
undetectable		 1nw3A-6fayA:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 TYR A 583
GLY A 527
ALA A 540
LEU A 561
ASN A 587
 NAG  A 808 ( 4.9A)
None
None
None
NAG  A 808 (-1.9A)
 1.33A 1nw3A-6fhwA:
undetectable		 1nw3A-6fhwA:
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 TYR A 376
GLU A 353
GLY A 362
PHE A 392
PHE A 399
 None
 1.26A 1nw3A-6fthA:
undetectable		 1nw3A-6fthA:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		4 THR A  78
GLN A  24
GLU A 235
ASP A 278
 None
 1.35A 1nw3A-1l2qA:
0.0		 1nw3A-1l2qA:
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.
1ssq SERINE
ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		4 THR A 113
GLN A 129
GLU A 162
ASP A 187
 None
 1.49A 1nw3A-1ssqA:
0.0		 1nw3A-1ssqA:
19.76
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 THR A  93
GLN A  91
GLU A  57
ASP A 189
 None
 1.10A 1nw3A-1ulvA:
0.0		 1nw3A-1ulvA:
17.81
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.
1wa8 ESAT-6 LIKE PROTEIN
ESXB

(Mycobacterium
bovis) 		PF06013
(WXG100) 		4 THR A   9
GLN A  12
GLU A  18
ASP A  69
 None
 1.34A 1nw3A-1wa8A:
undetectable		 1nw3A-1wa8A:
13.92
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		4 THR A 316
GLN A 315
GLU A 308
ASP A 302
 None
 1.38A 1nw3A-2ho5A:
2.5		 1nw3A-2ho5A:
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.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLN A1270
GLU A1518
ASP A1520
 None
 1.35A 1nw3A-3bqlA:
0.0		 1nw3A-3bqlA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		4 THR A 360
GLN A 283
GLU A 225
ASP A 152
 None
None
EDO  A  21 (-2.8A)
None
 1.45A 1nw3A-3eu8A:
undetectable		 1nw3A-3eu8A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 THR A 155
GLN A 151
GLU A 174
ASP A 170
 None
 1.49A 1nw3A-3nzuA:
0.0		 1nw3A-3nzuA:
18.39
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		4 THR A 138
GLN A 123
GLU A  19
ASP A  53
 None
 1.36A 1nw3A-4ofwA:
0.1		 1nw3A-4ofwA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		4 THR A 331
GLN A 316
GLU A 212
ASP A 246
 None
 1.35A 1nw3A-4ofwA:
0.1		 1nw3A-4ofwA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLN A1270
GLU A1518
ASP A1520
 None
 1.46A 1nw3A-4p1tA:
0.0		 1nw3A-4p1tA:
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		4 THR A 370
GLN A 293
GLU A 235
ASP A 162
 None
None
ACT  A 502 ( 2.9A)
None
 1.45A 1nw3A-4qt9A:
undetectable		 1nw3A-4qt9A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 THR A 107
GLN A 111
GLU A 198
ASP A 215
 None
 1.39A 1nw3A-4tvmA:
0.8		 1nw3A-4tvmA:
19.92
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 THR A  41
GLN A  42
GLU A 483
ASP A 476
 None
 1.47A 1nw3A-5g2vA:
0.4		 1nw3A-5g2vA:
21.07
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		4 THR A 149
GLN A 492
GLU A 496
ASP A 658
 None
 1.30A 1nw3A-5guhA:
undetectable		 1nw3A-5guhA:
18.75
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A 702
GLN A 701
GLU A 694
ASP A 689
 None
 1.49A 1nw3A-5gxuA:
3.7		 1nw3A-5gxuA:
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 THR A  27
GLN A 368
GLU A 197
ASP A 394
 None
 1.37A 1nw3A-5hl4A:
undetectable		 1nw3A-5hl4A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kut MITOCHONDRIAL RHO
GTPASE 2

(Homo sapiens) 		no annotation 4 THR A 446
GLN A 434
GLU A 471
ASP A 475
 None
None
MG  A 602 ( 2.5A)
None
 1.26A 1nw3A-5kutA:
undetectable		 1nw3A-5kutA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 THR H 107
GLN H 105
GLU H  23
ASP H  72
 None
 1.42A 1nw3A-5uemH:
undetectable		 1nw3A-5uemH:
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.
6a8m -

(-) 		no annotation 4 THR A 424
GLN A 422
GLU A 181
ASP A   8
 None
 1.47A 1nw3A-6a8mA:
undetectable		 1nw3A-6a8mA:
undetectable