SIMILAR PATTERNS OF AMINO ACIDS FOR 4NC3_A_ERMA1202

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A 237
SER A 211
VAL A 101
ALA A 195
LEU A 283
 None
 1.29A 4nc3A-1cttA:
undetectable		 4nc3A-1cttA:
23.09
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 VAL C 186
ALA C 131
PHE C 444
LEU C 417
VAL C 490
 None
 1.33A 4nc3A-1ea9C:
undetectable		 4nc3A-1ea9C:
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.
1fim MACROPHAGE MIGRATION
INHIBITORY FACTOR

(Rattus
norvegicus) 		PF01187
(MIF) 		5 LEU A  78
SER A  84
PHE A   3
ALA A  57
PHE A  18
 None
 1.34A 4nc3A-1fimA:
undetectable		 4nc3A-1fimA:
12.56
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.
1g1k SCAFFOLDING PROTEIN

([Clostridium]
cellulolyticum) 		PF00963
(Cohesin) 		5 ASP A  54
VAL A  53
VAL A  59
PHE A  77
ALA A  70
 None
 1.26A 4nc3A-1g1kA:
undetectable		 4nc3A-1g1kA:
15.53
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 ASP A  53
VAL A  42
MET A 127
ALA A  30
LEU A  11
 None
 1.14A 4nc3A-1hjoA:
undetectable		 4nc3A-1hjoA:
20.40
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.
1nku 3-METHYLADENINE DNA
GLYCOSYLASE I (TAG)

(Escherichia
coli) 		PF03352
(Adenine_glyco) 		5 LEU A 149
VAL A 116
SER A 118
PHE A 165
MET A 166
 None
 1.34A 4nc3A-1nkuA:
0.0		 4nc3A-1nkuA:
17.72
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ASP A  15
VAL A 238
PHE A 298
LEU A 247
VAL A 124
 GOL  A3001 (-3.6A)
None
None
None
CA  A2001 ( 4.7A)
 1.34A 4nc3A-1q8fA:
undetectable		 4nc3A-1q8fA:
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.
1rmg RHAMNOGALACTURONASE
A

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		5 VAL A 140
VAL A 211
PHE A 153
MET A 155
VAL A   6
 None
 1.22A 4nc3A-1rmgA:
undetectable		 4nc3A-1rmgA:
19.41
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		5 LEU A 136
VAL A 143
VAL A 243
PHE A 154
LEU A 196
 None
 1.30A 4nc3A-1s4dA:
undetectable		 4nc3A-1s4dA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 SER A 250
VAL A 134
PHE A 202
ALA A 198
LEU A 125
 None
 1.22A 4nc3A-1toaA:
undetectable		 4nc3A-1toaA:
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 LEU A 371
VAL A 410
ALA A 402
PHE A   5
LEU A 392
 None
 1.25A 4nc3A-1wcgA:
undetectable		 4nc3A-1wcgA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yg2 GENE ACTIVATOR APHA

(Vibrio cholerae) 		PF03551
(PadR)
PF10400
(Vir_act_alpha_C) 		5 LEU A   3
VAL A  40
MET A  47
ALA A  78
VAL A  10
 None
 1.21A 4nc3A-1yg2A:
3.2		 4nc3A-1yg2A:
17.27
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		5 LEU A 438
VAL A 191
ALA A 223
PHE A 238
LEU A 208
 None
 1.29A 4nc3A-2bdeA:
3.4		 4nc3A-2bdeA:
21.57
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.
2g2o MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Escherichia
coli) 		PF00698
(Acyl_transf_1) 		5 VAL A 275
TRP A  45
PHE A  33
LEU A  67
VAL A  29
 None
 1.31A 4nc3A-2g2oA:
undetectable		 4nc3A-2g2oA:
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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 LEU A 115
ASP A 125
SER A 127
ALA A 132
LEU A  23
 None
UNL  A 237 (-3.8A)
UNL  A 237 (-2.6A)
None
None
 1.23A 4nc3A-2hbwA:
undetectable		 4nc3A-2hbwA:
19.49
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.
2j4e INOSINE TRIPHOSPHATE
PYROPHOSPHATASE

(Homo sapiens) 		PF01725
(Ham1p_like) 		5 LEU A  35
VAL A  23
VAL A  11
PHE A 118
LEU A  42
 None
 1.03A 4nc3A-2j4eA:
undetectable		 4nc3A-2j4eA:
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.
2jmr FIMF

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 VAL A  19
PHE A  26
ALA A 130
PHE A  68
VAL A  66
 None
 1.29A 4nc3A-2jmrA:
undetectable		 4nc3A-2jmrA:
17.63
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.
2o6q VARIABLE LYMPHOCYTE
RECEPTOR A

(Eptatretus
burgeri) 		PF13855
(LRR_8) 		5 LEU A 191
VAL A 194
ALA A 222
LEU A 181
VAL A 174
 None
 1.26A 4nc3A-2o6qA:
undetectable		 4nc3A-2o6qA:
20.32
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.
2ob9 TAIL ASSEMBLY
CHAPERONE

(Escherichia
virus HK97) 		PF06222
(Phage_TAC_1) 		5 LEU A 106
VAL A  77
ALA A  40
LEU A  67
VAL A  95
 None
 1.33A 4nc3A-2ob9A:
undetectable		 4nc3A-2ob9A:
14.59
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.
2ql3 PROBABLE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF03466
(LysR_substrate) 		5 LEU A 111
SER A 118
VAL A 156
PHE A 134
VAL A 301
 None
 1.30A 4nc3A-2ql3A:
undetectable		 4nc3A-2ql3A:
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.
2ql3 PROBABLE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF03466
(LysR_substrate) 		5 LEU A 111
VAL A 156
PHE A 134
PHE A 297
VAL A 301
 None
 1.32A 4nc3A-2ql3A:
undetectable		 4nc3A-2ql3A:
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		5 LEU A  94
ALA A  85
PHE A  75
LEU A 108
VAL A 135
 None
 1.29A 4nc3A-2qulA:
undetectable		 4nc3A-2qulA:
21.56
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.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 LEU A 134
VAL A 136
PHE A 108
LEU A  91
VAL A 106
 None
 1.22A 4nc3A-2v72A:
undetectable		 4nc3A-2v72A:
14.92
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		5 SER A 117
VAL A 127
MET A 187
PHE A 174
VAL A 164
 None
 1.36A 4nc3A-2wokA:
undetectable		 4nc3A-2wokA:
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		5 VAL A 127
MET A 187
ALA A  86
PHE A 174
VAL A 164
 None
 1.28A 4nc3A-2wokA:
undetectable		 4nc3A-2wokA:
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.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		5 LEU A  37
SER A 163
MET A 173
PHE A 127
VAL A  94
 None
GDP  A 188 (-4.2A)
None
None
None
 1.26A 4nc3A-2x77A:
undetectable		 4nc3A-2x77A:
18.04
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		5 LEU A 246
VAL A 249
SER A 252
ALA A 274
LEU A  27
 None
None
EDO  A1294 (-3.4A)
None
None
 1.29A 4nc3A-2y5jA:
undetectable		 4nc3A-2y5jA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 LEU A 222
ASP A 221
SER A 214
ALA A 195
LEU A 294
 None
 1.25A 4nc3A-2z1aA:
undetectable		 4nc3A-2z1aA:
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.
2z2i PEPTIDYL-TRNA
HYDROLASE

(Mycobacterium
tuberculosis) 		PF01195
(Pept_tRNA_hydro) 		5 SER A  72
VAL A 133
PHE A 130
ALA A 124
LEU A   5
 None
 1.26A 4nc3A-2z2iA:
undetectable		 4nc3A-2z2iA:
19.04
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 VAL A 300
ALA A 357
PHE A 365
LEU A 390
VAL A 318
 None
 1.23A 4nc3A-2z5lA:
undetectable		 4nc3A-2z5lA:
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.
3c3j PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		5 LEU A 296
ASP A 292
SER A 232
VAL A 319
ALA A 239
 None
 1.25A 4nc3A-3c3jA:
undetectable		 4nc3A-3c3jA:
21.40
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 LEU A 357
ALA A 466
PHE A  78
LEU A  69
VAL A 349
 None
 1.27A 4nc3A-3cghA:
undetectable		 4nc3A-3cghA:
21.82
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		5 VAL A 130
VAL A 371
ALA A 124
LEU A  18
VAL A 168
 None
 1.30A 4nc3A-3d0qA:
undetectable		 4nc3A-3d0qA:
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 VAL A1046
SER A1049
PHE A1258
LEU A 534
VAL A1015
 None
 1.22A 4nc3A-3eh1A:
undetectable		 4nc3A-3eh1A:
20.89
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 VAL A 132
VAL A 124
PHE A 277
PHE A 143
LEU A 151
 None
 1.22A 4nc3A-3fxbA:
undetectable		 4nc3A-3fxbA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg6 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 18

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A  88
VAL A  92
VAL A 119
PHE A  50
ALA A 142
 None
 1.27A 4nc3A-3gg6A:
undetectable		 4nc3A-3gg6A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 VAL A 171
VAL A 285
MET A 114
ALA A 120
PHE A 331
 None
 1.36A 4nc3A-3lm6A:
undetectable		 4nc3A-3lm6A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 LEU A 367
ASP A 366
VAL A 365
SER A 364
ALA A 290
 None
 1.27A 4nc3A-3lvvA:
undetectable		 4nc3A-3lvvA:
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		5 ASP A 167
VAL A 131
VAL A 180
ALA A 253
LEU A 101
 None
 1.35A 4nc3A-3majA:
undetectable		 4nc3A-3majA:
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 LEU A 169
VAL A 217
ALA A  75
LEU A 119
VAL A 196
 None
None
NAD  A 901 (-3.4A)
None
None
 1.33A 4nc3A-3orfA:
undetectable		 4nc3A-3orfA:
19.11
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 LEU A 127
VAL A  58
PHE A  78
LEU A 470
VAL A  65
 None
 1.20A 4nc3A-3p2cA:
undetectable		 4nc3A-3p2cA:
21.54
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.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 VAL A  33
VAL A   3
ALA A  14
LEU A 234
VAL A  96
 None
 1.23A 4nc3A-3qljA:
undetectable		 4nc3A-3qljA:
19.14
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A 322
VAL A 324
MET A 299
PHE A 354
VAL A 352
 None
 1.31A 4nc3A-3rb9A:
undetectable		 4nc3A-3rb9A:
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.
3rjz N-TYPE ATP
PYROPHOSPHATASE
SUPERFAMILY

(Pyrococcus
furiosus) 		PF01902
(Diphthami_syn_2) 		5 LEU A 117
VAL A   7
VAL A 111
ALA A  24
VAL A  35
 None
 1.23A 4nc3A-3rjzA:
undetectable		 4nc3A-3rjzA:
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 LEU A 100
ASP A 103
SER A 107
PHE A 181
ALA A 194
TRP A 400
 None
QNB  A1162 (-3.1A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.4A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
 1.24A 4nc3A-3uonA:
27.0		 4nc3A-3uonA:
28.51
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 LEU A 190
VAL A 186
ALA A 262
PHE A  63
LEU A 252
 None
 1.32A 4nc3A-3zphA:
undetectable		 4nc3A-3zphA:
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 LEU A 190
VAL A 186
MET A 165
ALA A 262
LEU A 252
 None
 1.16A 4nc3A-3zphA:
undetectable		 4nc3A-3zphA:
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.
4aqs LAMININ SUBUNIT
BETA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 LEU A 136
PHE A 166
MET A 148
PHE A 140
VAL A 262
 None
 1.27A 4nc3A-4aqsA:
undetectable		 4nc3A-4aqsA:
21.28
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 5 SER A 347
VAL A  43
ALA A  22
PHE A 296
LEU A 413
 None
 1.27A 4nc3A-4b2nA:
undetectable		 4nc3A-4b2nA:
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 5 VAL A  30
VAL A  43
ALA A  22
PHE A 296
LEU A 413
 None
 1.19A 4nc3A-4b2nA:
undetectable		 4nc3A-4b2nA:
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP A 542
VAL A 499
MET A 539
PHE A 446
LEU A 452
 None
 1.36A 4nc3A-4bevA:
2.7		 4nc3A-4bevA:
21.29
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.
4cij GST REP

(Geobacillus
stearothermophilus) 		PF02486
(Rep_trans) 		5 LEU A  65
VAL A  67
PHE A  33
PHE A  15
VAL A  13
 None
 1.23A 4nc3A-4cijA:
undetectable		 4nc3A-4cijA:
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.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 MET A 182
ALA A 286
TRP A 281
PHE A  46
VAL A  43
 None
 1.10A 4nc3A-4d1dA:
undetectable		 4nc3A-4d1dA:
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.
4dib GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 VAL A 272
SER A 290
ALA A 310
LEU A 222
VAL A 130
 None
 1.35A 4nc3A-4dibA:
undetectable		 4nc3A-4dibA:
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 VAL M 731
SER M 732
PHE M 802
TRP M 834
VAL M 603
 None
 1.34A 4nc3A-4gq2M:
2.1		 4nc3A-4gq2M:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		12 LEU A 132
ASP A 135
VAL A 136
SER A 139
VAL A 208
PHE A 217
MET A 218
ALA A 225
TRP A 337
PHE A 340
LEU A 347
VAL A 366
 None
ERM  A2001 (-3.2A)
ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-4.0A)
ERM  A2001 (-4.6A)
ERM  A2001 (-3.7A)
ERM  A2001 (-3.4A)
None
ERM  A2001 (-4.3A)
ERM  A2001 (-4.2A)
ERM  A2001 ( 4.2A)
 0.24A 4nc3A-4ib4A:
46.7		 4nc3A-4ib4A:
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		5 LEU A 227
ASP A 208
VAL A 209
SER A 199
ALA A 183
 None
 1.29A 4nc3A-4kssA:
undetectable		 4nc3A-4kssA:
21.80
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ASP A 179
SER A 154
VAL A  88
PHE A 186
LEU A 132
 None
 1.07A 4nc3A-4mchA:
undetectable		 4nc3A-4mchA:
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.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 LEU A 100
ASP A 103
SER A 107
ALA A 194
TRP A 400
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
 0.57A 4nc3A-4mqtA:
29.2		 4nc3A-4mqtA:
28.32
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.
4nav HYPOTHETICAL PROTEIN
XCC279

(Xanthomonas
campestris) 		no annotation 5 LEU D 126
ASP D 122
VAL D 133
ALA D  98
LEU D  59
 None
 1.17A 4nc3A-4navD:
undetectable		 4nc3A-4navD:
18.23
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		5 SER A 196
VAL A  40
ALA A  82
PHE A 211
LEU A  25
 None
 1.32A 4nc3A-4nmyA:
undetectable		 4nc3A-4nmyA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 VAL A 120
PHE A 157
PHE A 143
LEU A 175
VAL A 101
 None
None
None
None
KIV  A 402 ( 4.6A)
 1.36A 4nc3A-4ov4A:
undetectable		 4nc3A-4ov4A:
21.22
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 VAL A 163
VAL A  85
ALA A 412
LEU A  93
VAL A  99
 None
 1.09A 4nc3A-4p22A:
undetectable		 4nc3A-4p22A:
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.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E

(Vibrio
vulnificus) 		PF00437
(T2SSE) 		5 LEU A 223
ASP A 204
VAL A 205
SER A 195
ALA A 179
 None
 1.33A 4nc3A-4phtA:
undetectable		 4nc3A-4phtA:
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.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		5 SER A  46
ALA A  90
PHE A  39
LEU A  99
VAL A  35
 None
None
None
RBF  A 201 (-4.2A)
None
 1.32A 4nc3A-4r38A:
undetectable		 4nc3A-4r38A:
17.30
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.
4urq DIGUANYLATE CYCLASE

(Thermotoga
maritima) 		PF00990
(GGDEF) 		5 LEU U 175
VAL U 122
VAL U 157
LEU U  96
VAL U 125
 None
 1.25A 4nc3A-4urqU:
undetectable		 4nc3A-4urqU:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4urs DIGUANYLATE CYCLASE

(Thermotoga
maritima) 		PF00990
(GGDEF) 		5 LEU A 175
VAL A 122
VAL A 157
LEU A  96
VAL A 125
 LEU  A 175 (-0.5A)
VAL  A 122 ( 0.6A)
VAL  A 157 (-0.6A)
LEU  A  96 ( 0.6A)
VAL  A 125 ( 0.5A)
 1.33A 4nc3A-4ursA:
undetectable		 4nc3A-4ursA:
18.93
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 LEU A 290
ASP A 286
SER A 158
PHE A 215
LEU A  26
 None
 1.12A 4nc3A-4v2iA:
undetectable		 4nc3A-4v2iA:
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.
4w8b EXO-XYLOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 VAL A 505
VAL A 497
PHE A 189
ALA A 468
VAL A 450
 None
BGC  A 616 (-4.9A)
None
None
None
 1.33A 4nc3A-4w8bA:
undetectable		 4nc3A-4w8bA:
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.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 VAL A  54
SER A  83
VAL A 223
ALA A  59
VAL A 166
 SO4  A 305 (-4.8A)
SO4  A 301 ( 4.4A)
SO4  A 303 ( 4.7A)
SO4  A 301 (-3.4A)
None
 1.35A 4nc3A-4x9sA:
undetectable		 4nc3A-4x9sA:
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.
4xaa PUTATIVE OXYGENASE

(Streptomyces
viridochromogenes) 		PF05721
(PhyH) 		5 LEU A 194
ASP A 127
VAL A 192
LEU A  95
VAL A 211
 None
NI  A 301 (-2.5A)
None
None
None
 1.36A 4nc3A-4xaaA:
undetectable		 4nc3A-4xaaA:
17.97
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28

(Cytomegalovirus) 		PF00001
(7tm_1) 		5 LEU A  80
ASP A  79
SER A 118
ALA A 155
LEU A 107
 None
 1.29A 4nc3A-4xt1A:
23.7		 4nc3A-4xt1A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5c LRRTM

(synthetic
construct) 		PF13855
(LRR_8) 		5 LEU A  42
VAL A  24
PHE A  74
LEU A  56
VAL A  73
 None
 1.20A 4nc3A-5a5cA:
undetectable		 4nc3A-5a5cA:
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.
5a89 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase) 		5 VAL A 254
SER A 266
VAL A 291
PHE A 287
LEU A 272
 None
 1.32A 4nc3A-5a89A:
undetectable		 4nc3A-5a89A:
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 LEU A 714
SER A 723
PHE A 630
LEU A 704
VAL A 626
 None
 1.24A 4nc3A-5ah5A:
2.7		 4nc3A-5ah5A:
21.15
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 SER A 168
ALA A 157
PHE A  74
LEU A 147
VAL A  79
 None
 1.18A 4nc3A-5b4sA:
undetectable		 4nc3A-5b4sA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 454
VAL A 107
ALA A 460
PHE A  81
LEU A 100
 None
 1.12A 4nc3A-5bp1A:
undetectable		 4nc3A-5bp1A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus) 		PF12146
(Hydrolase_4) 		5 LEU A 244
VAL A 240
ALA A 227
PHE A  38
VAL A  47
 None
 1.08A 4nc3A-5cmlA:
undetectable		 4nc3A-5cmlA:
20.09
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 LEU B 258
VAL B 265
ALA B 102
LEU B 243
VAL B 151
 None
 1.23A 4nc3A-5do7B:
undetectable		 4nc3A-5do7B:
21.52
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 LEU A 435
VAL A 255
VAL A 301
PHE A 279
VAL A 315
 None
 1.21A 4nc3A-5ebbA:
undetectable		 4nc3A-5ebbA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		6 LEU A 432
VAL A 252
VAL A 298
PHE A 276
LEU A 344
VAL A 312
 None
 1.44A 4nc3A-5fcaA:
undetectable		 4nc3A-5fcaA:
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.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 VAL A 254
SER A 266
VAL A 291
PHE A 287
LEU A 272
 None
 1.24A 4nc3A-5fo1A:
undetectable		 4nc3A-5fo1A:
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.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 SER A 195
VAL A 206
ALA A  85
LEU A 110
VAL A  32
 None
 1.34A 4nc3A-5i32A:
undetectable		 4nc3A-5i32A:
20.14
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 113
ALA A  63
PHE A 278
LEU A 102
VAL A 251
 None
 1.30A 4nc3A-5keiA:
undetectable		 4nc3A-5keiA:
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 LEU A 208
ASP A 211
VAL A 210
PHE A 185
LEU A 232
 None
 1.22A 4nc3A-5l2pA:
undetectable		 4nc3A-5l2pA:
20.32
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.
5m23 WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40) 		5 ASP A  92
SER A  50
VAL A 145
ALA A 308
PHE A 219
 7DC  A 401 ( 4.3A)
None
None
None
None
 1.31A 4nc3A-5m23A:
undetectable		 4nc3A-5m23A:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		5 ASP A  62
VAL A  61
SER A  65
PHE A1165
LEU A 234
 None
 1.35A 4nc3A-5ndzA:
28.8		 4nc3A-5ndzA:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 222
VAL A  20
ALA A 102
PHE A  52
VAL A  12
 None
None
None
NAP  A 304 (-4.7A)
NAP  A 304 (-3.8A)
 1.29A 4nc3A-5tjzA:
undetectable		 4nc3A-5tjzA:
11.19
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 5 LEU A 350
SER A 299
VAL A 264
ALA A 295
LEU A 368
 None
 1.29A 4nc3A-5u30A:
6.3		 4nc3A-5u30A:
15.76
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 SER A 339
PHE A 208
ALA A 345
PHE A 449
VAL A 398
 None
None
NA  A 601 ( 4.2A)
None
None
 1.19A 4nc3A-5ujuA:
2.2		 4nc3A-5ujuA:
21.92
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 VAL A 127
VAL A  50
ALA A 372
LEU A  58
VAL A  64
 None
 1.09A 4nc3A-5um6A:
undetectable		 4nc3A-5um6A:
17.93
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 LEU A 334
ASP A 111
SER A 919
PHE A 338
LEU A 124
 None
 1.30A 4nc3A-5w81A:
2.4		 4nc3A-5w81A:
14.69
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.
5woz REGULATOR OF TY1
TRANSPOSITION
PROTEIN 103

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  86
MET A  60
ALA A  67
PHE A 115
VAL A 119
 None
 1.36A 4nc3A-5wozA:
undetectable		 4nc3A-5wozA:
12.37
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 VAL A 240
VAL A 226
ALA A  44
LEU A 254
VAL A 205
 None
 1.34A 4nc3A-5wugA:
undetectable		 4nc3A-5wugA:
10.86
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 LEU A  90
ALA A 120
TRP A 134
PHE A 150
VAL A 137
 None
 1.32A 4nc3A-5yv5A:
undetectable		 4nc3A-5yv5A:
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 VAL A  92
VAL A  75
PHE A 169
LEU A 162
VAL A 278
 None
 1.21A 4nc3A-6bf6A:
undetectable		 4nc3A-6bf6A:
13.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 7 ASP A 134
VAL A 135
SER A 138
ALA A 222
TRP A 324
PHE A 327
VAL A 354
 E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 ( 3.8A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.6A)
 0.87A 4nc3A-6bqhA:
31.8		 4nc3A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 ASP A 134
VAL A 135
SER A 138
VAL A 208
ALA A 222
VAL A 354
 E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
None
E2J  A1201 ( 3.8A)
E2J  A1201 (-4.6A)
 0.94A 4nc3A-6bqhA:
31.8		 4nc3A-6bqhA:
62.32
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 ASP A  78
VAL A  66
MET A 153
ALA A  54
LEU A  35
 None
 1.16A 4nc3A-6eoeA:
undetectable		 4nc3A-6eoeA:
22.53
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 LEU S 126
ASP S 129
ALA S 216
TRP S 327
PHE S 330
 None
EP5  S 401 (-3.3A)
EP5  S 401 ( 4.0A)
None
EP5  S 401 (-4.0A)
 0.53A 4nc3A-6g79S:
28.8		 4nc3A-6g79S:
19.77
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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 THR A  30
ASN A 122
LEU A 143
GLU A 142
 FMN  A 190 (-3.5A)
None
None
None
 1.14A 4nc3A-1b1cA:
undetectable		 4nc3A-1b1cA:
18.47
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.
1dce PROTEIN (RAB
GERANYLGERANYLTRANSF
ERASE ALPHA SUBUNIT)

(Rattus
norvegicus) 		PF01239
(PPTA)
PF07711
(RabGGT_insert) 		4 THR A 387
LEU A 208
LEU A 356
GLU A 355
 None
 1.21A 4nc3A-1dceA:
3.2		 4nc3A-1dceA:
22.74
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.
1ji0 ABC TRANSPORTER

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 LEU A 135
ASN A 100
LEU A 147
GLU A 143
 None
 1.16A 4nc3A-1ji0A:
undetectable		 4nc3A-1ji0A:
20.78
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 THR A 954
LEU A 925
GLN A  50
LEU A  49
 None
 1.08A 4nc3A-1jqoA:
2.2		 4nc3A-1jqoA:
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.
1nnt OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 LEU A 229
GLN A 234
LEU A 226
GLU A 225
 None
 1.17A 4nc3A-1nntA:
undetectable		 4nc3A-1nntA:
21.49
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 4 THR B 115
LEU B 149
LEU B 156
GLU B 168
 None
 1.23A 4nc3A-1pbyB:
undetectable		 4nc3A-1pbyB:
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		4 LEU A 405
ASN A 160
LEU A 411
GLU A 413
 None
 1.18A 4nc3A-1qpgA:
undetectable		 4nc3A-1qpgA:
21.64
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.
1ri6 PUTATIVE ISOMERASE
YBHE

(Escherichia
coli) 		PF10282
(Lactonase) 		4 THR A  75
GLN A  96
LEU A 113
GLU A 114
 None
 1.25A 4nc3A-1ri6A:
undetectable		 4nc3A-1ri6A:
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 THR A  10
LEU A 474
LEU A 540
GLU A 539
 None
 1.14A 4nc3A-1sb3A:
undetectable		 4nc3A-1sb3A:
20.10
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		4 THR A 335
LEU A  43
GLN A  23
LEU A  24
 None
 0.93A 4nc3A-1snzA:
undetectable		 4nc3A-1snzA:
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.
1u7v MOTHERS AGAINST
DECAPENTAPLEGIC
HOMOLOG 4

(Homo sapiens) 		PF03166
(MH2) 		4 LEU B 498
GLN B 410
LEU B 501
GLU B 526
 None
 1.10A 4nc3A-1u7vB:
undetectable		 4nc3A-1u7vB:
19.91
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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 LEU A 248
GLN A 232
LEU A 231
GLU A 230
 None
 1.21A 4nc3A-1udqA:
undetectable		 4nc3A-1udqA:
20.63
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		4 THR A 247
ASN A 240
LEU A 182
GLU A 178
 None
 1.21A 4nc3A-1vdwA:
undetectable		 4nc3A-1vdwA:
21.18
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.
1wdy 2-5A-DEPENDENT
RIBONUCLEASE

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 THR A  94
LEU A 144
ASN A 119
LEU A 153
 None
 1.19A 4nc3A-1wdyA:
undetectable		 4nc3A-1wdyA:
22.53
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.
1xee CHEMOTAXIS-INHIBITIN
G PROTEIN CHIPS

(Staphylococcus
aureus) 		PF11434
(CHIPS) 		4 THR A  66
LEU A  80
LEU A  76
GLU A  60
 None
 1.25A 4nc3A-1xeeA:
undetectable		 4nc3A-1xeeA:
12.20
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.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 LEU A 125
ASN A 345
LEU A 135
GLU A 136
 None
 1.13A 4nc3A-1ys4A:
undetectable		 4nc3A-1ys4A:
21.49
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.
1zl0 HYPOTHETICAL PROTEIN
PA5198

(Pseudomonas
aeruginosa) 		PF02016
(Peptidase_S66) 		4 LEU A  32
GLN A  38
LEU A  39
GLU A  40
 None
 1.11A 4nc3A-1zl0A:
undetectable		 4nc3A-1zl0A:
21.66
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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE

(Leptospira
interrogans) 		PF02570
(CbiC) 		4 ASN A 127
GLN A 155
LEU A 152
GLU A 150
 None
 1.26A 4nc3A-2afvA:
undetectable		 4nc3A-2afvA:
19.72
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 THR A 860
LEU A 816
LEU A 880
GLU A 875
 None
 0.97A 4nc3A-2b5mA:
undetectable		 4nc3A-2b5mA:
16.67
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		4 THR A 320
LEU A 275
LEU A  98
GLU A  99
 None
 1.23A 4nc3A-2cy8A:
undetectable		 4nc3A-2cy8A:
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 THR A  13
LEU A 335
GLN A 327
LEU A 322
 None
 1.22A 4nc3A-2ddhA:
2.7		 4nc3A-2ddhA:
21.18
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 4 THR A  89
LEU A  52
LEU A  49
GLU A  48
 None
None
GOL  A 507 ( 4.7A)
None
 0.97A 4nc3A-2de2A:
undetectable		 4nc3A-2de2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		4 THR A 215
LEU A 248
GLN A 242
LEU A 241
 None
 1.19A 4nc3A-2f1kA:
undetectable		 4nc3A-2f1kA:
23.47
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.
2g9b CALBINDIN

(Rattus
norvegicus) 		PF13405
(EF-hand_6)
PF13499
(EF-hand_7) 		4 LEU A  43
GLN A  37
LEU A  36
GLU A  35
 None
 1.09A 4nc3A-2g9bA:
2.1		 4nc3A-2g9bA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A 613
ASN A 598
GLN A 643
LEU A 642
 None
 1.15A 4nc3A-2jgdA:
undetectable		 4nc3A-2jgdA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kki INTERLEUKIN-1 ALPHA

(Homo sapiens) 		PF00340
(IL1) 		4 THR A  69
GLN A  88
LEU A 142
GLU A  86
 None
 0.95A 4nc3A-2kkiA:
undetectable		 4nc3A-2kkiA:
17.44
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 LEU A 407
ASN A 419
GLN A 445
LEU A 444
 None
 1.14A 4nc3A-2okkA:
undetectable		 4nc3A-2okkA:
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 LEU A  79
ASN A  11
GLN A  84
LEU A  85
 None
 1.24A 4nc3A-2qruA:
undetectable		 4nc3A-2qruA:
19.42
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.
2wjg FERROUS IRON
TRANSPORT PROTEIN B
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02421
(FeoB_N) 		4 LEU A  98
ASN A  87
GLN A 103
LEU A 104
 None
 1.16A 4nc3A-2wjgA:
undetectable		 4nc3A-2wjgA:
17.59
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.
2wjg FERROUS IRON
TRANSPORT PROTEIN B
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02421
(FeoB_N) 		4 LEU A  98
ASN A  87
LEU A 104
GLU A 106
 None
 1.03A 4nc3A-2wjgA:
undetectable		 4nc3A-2wjgA:
17.59
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.
2wji FERROUS IRON
TRANSPORT PROTEIN B
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02421
(FeoB_N) 		4 LEU A  98
ASN A  87
GLN A 103
LEU A 104
 None
 1.11A 4nc3A-2wjiA:
undetectable		 4nc3A-2wjiA:
16.95
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.
2wzm ALDO-KETO REDUCTASE

(Mycolicibacterium
smegmatis) 		PF00248
(Aldo_ket_red) 		4 THR A 271
LEU A 224
GLN A 230
LEU A 231
 None
 1.24A 4nc3A-2wzmA:
undetectable		 4nc3A-2wzmA:
22.83
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 THR A 411
LEU A 354
ASN A 379
LEU A 350
 None
 1.13A 4nc3A-2z7xA:
undetectable		 4nc3A-2z7xA:
22.88
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 THR A 247
LEU A 367
GLN A 126
LEU A 125
 HEM  A1430 (-4.0A)
None
None
None
 1.10A 4nc3A-3abbA:
undetectable		 4nc3A-3abbA:
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.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		4 THR A  85
LEU A  50
ASN A  78
GLN A  14
 None
 0.91A 4nc3A-3brnA:
undetectable		 4nc3A-3brnA:
15.79
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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		4 THR A 134
GLN A  81
LEU A  77
GLU A 174
 None
 1.21A 4nc3A-3bywA:
undetectable		 4nc3A-3bywA:
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.
3c7j TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF00392
(GntR)
PF07729
(FCD) 		4 LEU A 195
ASN A 144
LEU A 131
GLU A 132
 None
NI  A 301 (-2.7A)
None
None
 1.21A 4nc3A-3c7jA:
undetectable		 4nc3A-3c7jA:
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.
3caw O-SUCCINYLBENZOATE
SYNTHASE

(Bdellovibrio
bacteriovorus) 		no annotation 4 THR A 323
GLN A  59
LEU A  60
GLU A  57
 None
 1.28A 4nc3A-3cawA:
undetectable		 4nc3A-3cawA:
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.
3dm5 SIGNAL RECOGNITION
54 KDA PROTEIN

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 THR A 407
LEU A 330
GLN A 336
LEU A 337
 None
 1.20A 4nc3A-3dm5A:
2.7		 4nc3A-3dm5A:
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		4 THR A  27
LEU A  39
LEU A   9
GLU A  10
 None
 1.27A 4nc3A-3eg4A:
undetectable		 4nc3A-3eg4A:
20.55
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli) 		PF02665
(Nitrate_red_gam) 		4 THR C 123
LEU C 197
GLN C 136
LEU C 133
 None
None
HEM  C 807 (-4.4A)
HEM  C 806 ( 4.8A)
 1.11A 4nc3A-3egwC:
3.1		 4nc3A-3egwC:
20.29
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.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 28 KDA FORM
PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus musculus) 		PF04916
(Phospholip_B) 		4 LEU B 276
ASN A  96
LEU A  94
GLU A 127
 None
 1.02A 4nc3A-3fgtB:
undetectable		 4nc3A-3fgtB:
20.44
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.
3h3d MATERNAL PROTEIN
PUMILIO

(Drosophila
melanogaster) 		PF00806
(PUF) 		4 LEU X 222
GLN X 183
LEU X 186
GLU X 187
 None
 1.05A 4nc3A-3h3dX:
undetectable		 4nc3A-3h3dX:
19.63
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 THR A 257
LEU A 125
LEU A 281
GLU A 276
 None
 0.92A 4nc3A-3h6eA:
undetectable		 4nc3A-3h6eA:
22.18
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A 110
LEU A  13
LEU A  16
GLU A  36
 None
 1.08A 4nc3A-3i6tA:
undetectable		 4nc3A-3i6tA:
24.12
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 THR A 521
LEU A 169
GLN A  89
LEU A  88
 None
 1.19A 4nc3A-3jysA:
1.9		 4nc3A-3jysA:
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.
3kdq UNCHARACTERIZED
CONSERVED PROTEIN

(Corynebacterium
diphtheriae) 		no annotation 4 LEU A  76
GLN A 151
LEU A 150
GLU A 149
 None
 0.85A 4nc3A-3kdqA:
3.9		 4nc3A-3kdqA:
18.88
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		4 THR A  72
LEU A 160
LEU A 130
GLU A 126
 None
 1.13A 4nc3A-3khnA:
undetectable		 4nc3A-3khnA:
16.28
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.
3kny HYPOTHETICAL PROTEIN
BT_3535

(Bacteroides
thetaiotaomicron) 		no annotation 4 THR A  64
LEU A 204
ASN A  94
GLU A  87
 None
 1.15A 4nc3A-3knyA:
undetectable		 4nc3A-3knyA:
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A  11
ASN A 179
LEU A  19
GLU A  18
 None
 1.13A 4nc3A-3lcrA:
undetectable		 4nc3A-3lcrA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		4 THR A 191
LEU A 262
GLN A 268
LEU A 269
 None
 1.20A 4nc3A-3nnmA:
undetectable		 4nc3A-3nnmA:
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		4 THR A 231
LEU A 168
GLN A 153
LEU A 154
 None
 1.25A 4nc3A-3nraA:
undetectable		 4nc3A-3nraA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o38 SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 THR A  91
LEU A  56
GLN A  62
LEU A  63
 None
 1.21A 4nc3A-3o38A:
undetectable		 4nc3A-3o38A:
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.
3onq REGULATOR OF
POLYKETIDE SYNTHASE
EXPRESSION

(Bifidobacterium
adolescentis) 		PF13556
(HTH_30) 		4 THR A 107
LEU A 137
GLN A 145
LEU A 144
 None
None
GOL  A 264 (-2.8A)
None
 1.05A 4nc3A-3onqA:
undetectable		 4nc3A-3onqA:
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 THR B 615
GLN B 554
LEU B 557
GLU B 558
 None
 0.95A 4nc3A-3p8cB:
1.7		 4nc3A-3p8cB:
16.06
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.
3pgz SINGLE-STRANDED
DNA-BINDING PROTEIN

(Bartonella
henselae) 		PF00436
(SSB) 		4 THR A  36
LEU A  84
GLN A 105
LEU A 104
 None
 1.01A 4nc3A-3pgzA:
undetectable		 4nc3A-3pgzA:
17.47
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.
3phf ENVELOPE
GLYCOPROTEIN L

(Human
gammaherpesvirus
4) 		no annotation 4 THR B  55
LEU B  83
LEU B 111
GLU B 112
 None
 1.25A 4nc3A-3phfB:
undetectable		 4nc3A-3phfB:
14.21
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.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB

(Bacillus
anthracis) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 THR A  39
LEU A 574
LEU A 581
GLU A 567
 None
 1.12A 4nc3A-3to3A:
3.3		 4nc3A-3to3A:
21.05
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.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		4 THR A 353
LEU A  75
LEU A 313
GLU A 314
 None
 1.09A 4nc3A-3ty4A:
1.8		 4nc3A-3ty4A:
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 THR A 233
LEU A  46
ASN A 191
LEU A 169
 None
 1.24A 4nc3A-3w6qA:
undetectable		 4nc3A-3w6qA:
20.06
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 THR A 847
LEU A 656
LEU A 793
GLU A 792
 None
 0.72A 4nc3A-3welA:
undetectable		 4nc3A-3welA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zig SEPF-LIKE PROTEIN

(Pyrococcus
furiosus) 		PF04472
(SepF) 		4 THR A 101
LEU A  81
LEU A  90
GLU A  89
 None
 1.16A 4nc3A-3zigA:
undetectable		 4nc3A-3zigA:
16.08
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 115
LEU A 247
GLN A 272
LEU A 271
 ANP  A1456 (-3.6A)
None
None
None
 1.11A 4nc3A-4cvmA:
undetectable		 4nc3A-4cvmA:
23.30
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783

(Staphylococcus
aureus) 		PF04507
(DUF576) 		4 THR A  43
LEU A 216
GLN A 190
LEU A 191
 None
 1.24A 4nc3A-4eg9A:
undetectable		 4nc3A-4eg9A:
18.12
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.
4evf GIARDIN SUBUNIT
ALPHA-1

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 THR A 207
LEU A 162
ASN A 197
GLU A 191
 None
 1.18A 4nc3A-4evfA:
undetectable		 4nc3A-4evfA:
21.49
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.
4gct NUCLEOID OCCLUSION
FACTOR SLMA

(Vibrio cholerae) 		PF00440
(TetR_N) 		4 THR A 181
LEU A  68
LEU A 134
GLU A 131
 None
 1.04A 4nc3A-4gctA:
3.1		 4nc3A-4gctA:
17.66
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.
4hou INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		PF13181
(TPR_8)
PF13424
(TPR_12) 		4 LEU A  57
ASN A 100
LEU A  75
GLU A  77
 None
 1.22A 4nc3A-4houA:
undetectable		 4nc3A-4houA:
20.09
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		4 THR A 271
ASN A 246
GLN A 327
GLU A 331
 None
 1.23A 4nc3A-4i1dA:
undetectable		 4nc3A-4i1dA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 LEU A 209
ASN A 344
GLN A 359
LEU A 362
GLU A 363
 ERM  A2001 (-3.7A)
ERM  A2001 (-4.3A)
None
ERM  A2001 ( 4.1A)
ERM  A2001 ( 4.5A)
 0.65A 4nc3A-4ib4A:
46.7		 4nc3A-4ib4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 THR A 140
LEU A 209
ASN A 344
GLN A 359
LEU A 362
 ERM  A2001 (-3.9A)
ERM  A2001 (-3.7A)
ERM  A2001 (-4.3A)
None
ERM  A2001 ( 4.1A)
 0.21A 4nc3A-4ib4A:
46.7		 4nc3A-4ib4A:
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 LEU A 186
ASN A  36
GLN A 111
LEU A 114
 None
 1.17A 4nc3A-4ifqA:
2.1		 4nc3A-4ifqA:
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.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		4 THR A 633
ASN A 495
GLN A 617
LEU A 624
 None
 1.21A 4nc3A-4n3sA:
undetectable		 4nc3A-4n3sA:
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.
4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B

(Streptococcus
thermophilus) 		PF02421
(FeoB_N) 		4 LEU A  95
ASN A  84
GLN A 100
LEU A 101
 LEU  A  95 ( 0.6A)
ASN  A  84 ( 0.6A)
GLN  A 100 ( 0.6A)
LEU  A 101 ( 0.6A)
 1.27A 4nc3A-4nonA:
undetectable		 4nc3A-4nonA:
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.
4oav PROTEIN (RNASE L)

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 THR B  94
LEU B 144
ASN B 119
LEU B 153
 None
 1.20A 4nc3A-4oavB:
undetectable		 4nc3A-4oavB:
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.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		4 THR A 270
LEU A 223
GLN A 229
LEU A 230
 None
 1.24A 4nc3A-4otkA:
undetectable		 4nc3A-4otkA:
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.
4q00 FERROUS IRON
TRANSPORT PROTEIN B

(Escherichia
coli) 		PF02421
(FeoB_N) 		4 LEU A 102
ASN A  91
GLN A 107
LEU A 108
 None
 1.10A 4nc3A-4q00A:
undetectable		 4nc3A-4q00A:
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.
4qq1 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 THR A 170
LEU A 198
LEU A 186
GLU A 203
 None
 1.16A 4nc3A-4qq1A:
undetectable		 4nc3A-4qq1A:
20.04
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		4 THR A 459
LEU A 397
LEU A 437
GLU A 434
 None
 1.28A 4nc3A-4u48A:
undetectable		 4nc3A-4u48A:
13.41
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		4 THR A 148
ASN A  37
GLN A  74
LEU A  75
 None
 1.07A 4nc3A-4w7hA:
undetectable		 4nc3A-4w7hA:
20.05
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 LEU A 235
ASN A 205
LEU A 197
GLU A 177
 None
 1.08A 4nc3A-4xixA:
undetectable		 4nc3A-4xixA:
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.
4xtk CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Thermotoga
maritima) 		PF01867
(Cas_Cas1) 		4 THR A 216
LEU A 309
LEU A 302
GLU A 301
 None
 1.03A 4nc3A-4xtkA:
undetectable		 4nc3A-4xtkA:
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.
5c5z GLUTAMYL-TRNA
AMIDOTRANSFERASE

(Escherichia
coli) 		no annotation 4 LEU A 101
ASN A   9
LEU A  41
GLU A 112
 None
 1.21A 4nc3A-5c5zA:
undetectable		 4nc3A-5c5zA:
15.67
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 THR I 752
LEU I 667
GLN I 652
LEU I 653
 None
 0.96A 4nc3A-5furI:
undetectable		 4nc3A-5furI:
16.04
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.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF12799
(LRR_4)
PF13516
(LRR_6) 		4 LEU A 202
GLN A 245
LEU A 244
GLU A 243
 None
 1.00A 4nc3A-5il7A:
undetectable		 4nc3A-5il7A:
23.31
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.
5j1s TORSIN-1A-INTERACTIN
G PROTEIN 2

(Homo sapiens) 		PF05609
(LAP1C) 		4 THR B 397
LEU B 281
LEU B 262
GLU B 263
 None
 1.11A 4nc3A-5j1sB:
undetectable		 4nc3A-5j1sB:
19.72
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.
5jd9 SPORE COAT PROTEIN H

(Bacillus cereus) 		PF08757
(CotH) 		4 ASN A  76
GLN A 121
LEU A 122
GLU A 123
 None
EDO  A 405 (-3.7A)
None
EDO  A 405 (-4.9A)
 1.26A 4nc3A-5jd9A:
undetectable		 4nc3A-5jd9A:
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		4 LEU A 666
GLN A 672
LEU A 694
GLU A 698
 None
 1.11A 4nc3A-5kvuA:
5.5		 4nc3A-5kvuA:
21.34
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 4 LEU A 719
ASN A 756
LEU A 784
GLU A 783
 None
None
None
MLY  A 779 ( 2.9A)
 1.23A 4nc3A-5mhfA:
2.8		 4nc3A-5mhfA:
13.85
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 LEU 1  44
GLN 1  38
LEU 1  37
GLU 1  36
 None
 1.28A 4nc3A-5mz61:
undetectable		 4nc3A-5mz61:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 10
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 19

(Schizosaccharomyces
pombe) 		PF08633
(Rox3)
PF08638
(Med14)
PF09748
(Med10) 		4 THR C  33
ASN B  98
GLN A  90
LEU A  87
 None
 0.74A 4nc3A-5n9jC:
undetectable		 4nc3A-5n9jC:
14.29
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.
5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN

(Danio rerio;
Escherichia
coli) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 THR A1313
GLN A1122
LEU A1120
GLU A1121
 None
 0.87A 4nc3A-5t03A:
undetectable		 4nc3A-5t03A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 THR A 614
LEU A 487
LEU A 461
GLU A 462
 None
 0.78A 4nc3A-5t88A:
undetectable		 4nc3A-5t88A:
22.15
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.
5xaz GAMMA-BUTYROLACTONE
RECEPTOR PROTEIN

(Streptomyces
fradiae) 		PF00440
(TetR_N) 		4 THR A  85
GLN A  58
LEU A  61
GLU A  59
 None
 0.95A 4nc3A-5xazA:
4.8		 4nc3A-5xazA:
18.78
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.
6ba5 VARIABLE DOMAIN OF
LIGHT CHAIN,
ANTIBODY R11

(Homo sapiens) 		no annotation 4 THR A 106
LEU A  34
GLN A  28
GLU A   2
 None
 1.26A 4nc3A-6ba5A:
undetectable		 4nc3A-6ba5A:
11.38
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 THR B 583
GLN B 677
LEU B 556
GLU B 555
 None
 1.07A 4nc3A-6btmB:
undetectable		 4nc3A-6btmB:
12.22
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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 4 LEU A  59
ASN A 102
LEU A  77
GLU A  79
 None
 1.17A 4nc3A-6c6kA:
undetectable		 4nc3A-6c6kA:
11.32
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.
6dg4 ULP1-LIKE SUMO
PROTEASE

(Chaetomium
thermophilum) 		no annotation 4 LEU A  39
GLN A  42
LEU A  44
GLU A  34
 None
 0.87A 4nc3A-6dg4A:
undetectable		 4nc3A-6dg4A:
12.78
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 4 THR A 402
GLN A 582
LEU A 581
GLU A 585
 None
 1.08A 4nc3A-6etiA:
undetectable		 4nc3A-6etiA:
13.12
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 THR B 215
LEU B 204
LEU B 497
GLU B 498
 None
 1.18A 4nc3A-6f0kB:
undetectable		 4nc3A-6f0kB:
12.46
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 LEU A 244
ASN A 206
LEU A 268
GLU A 267
 None
 1.21A 4nc3A-6feaA:
undetectable		 4nc3A-6feaA:
13.95