SIMILAR PATTERNS OF AMINO ACIDS FOR 5NNA_D_BZMD301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE

(Human
alphaherpesvirus
2) 		PF00716
(Peptidase_S21) 		5 ILE A  57
LEU A 151
VAL A  70
GLY A  84
TYR A 164
 None
 1.07A 5nnaD-1at3A:
undetectable		 5nnaD-1at3A:
22.03
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.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)

(Thermotoga
maritima) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ILE A 180
LEU A  92
SER A 210
GLY A 178
ASP A  99
 None
 1.19A 5nnaD-1c3cA:
undetectable		 5nnaD-1c3cA:
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 ILE A1028
LEU A1294
PRO A1257
VAL A1033
ASP A1046
 None
None
None
None
SO4  A   4 (-3.9A)
 1.23A 5nnaD-1eg7A:
undetectable		 5nnaD-1eg7A:
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.
1f9k ACIDIC LECTIN

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 ILE A  77
LEU A 155
PRO A  86
GLY A  89
ASP A 125
 None
None
None
None
CA  A 302 ( 2.2A)
 1.17A 5nnaD-1f9kA:
undetectable		 5nnaD-1f9kA:
21.12
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 ILE A 350
GLY A 101
ASP A 372
GLY A 373
TYR A 103
 None
 1.23A 5nnaD-1fsuA:
undetectable		 5nnaD-1fsuA:
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A  54
LEU A  52
VAL A 254
ASP A 282
GLY A 270
 None
None
FAD  A 600 (-4.0A)
None
None
 1.01A 5nnaD-1gpeA:
0.7		 5nnaD-1gpeA:
19.65
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.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		5 ILE A  78
LEU A 160
PRO A  87
GLY A  90
ASP A 129
 None
None
None
None
CA  A 290 ( 2.1A)
 1.17A 5nnaD-1gzcA:
undetectable		 5nnaD-1gzcA:
19.93
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 ILE A 518
LEU A 546
TRP A 493
GLY A 475
GLY A 479
 None
 1.15A 5nnaD-1kv9A:
0.2		 5nnaD-1kv9A:
18.45
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 263
LEU A 285
VAL A 240
GLY A 239
GLY A 236
 None
 1.22A 5nnaD-1lluA:
undetectable		 5nnaD-1lluA:
24.51
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 LEU A  98
HIS A  64
TRP A  68
SER A 177
GLY A 174
 None
FE  A 301 (-3.3A)
None
None
None
 1.20A 5nnaD-1nmoA:
undetectable		 5nnaD-1nmoA:
22.86
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 HIS A  90
SER A 334
VAL A 303
GLY A 301
ASP A 298
 NAD  A 500 (-4.2A)
None
None
None
None
 1.11A 5nnaD-1obbA:
undetectable		 5nnaD-1obbA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 ILE A  22
SER A  12
ASP A  18
GLY A  13
HIS A  54
 None
 1.06A 5nnaD-1oy1A:
undetectable		 5nnaD-1oy1A:
19.57
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.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		5 ILE A 152
HIS A 144
SER A 103
GLY A 106
GLY A 109
 None
MN  A 301 (-3.3A)
None
FUC  A 501 (-3.7A)
None
 1.17A 5nnaD-1qotA:
undetectable		 5nnaD-1qotA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 LEU A 236
HIS A 184
GLY A 210
GLY A 239
HIS A 180
 None
None
ADP  A 401 (-3.3A)
None
SO4  A 400 (-3.9A)
 1.21A 5nnaD-1tuuA:
undetectable		 5nnaD-1tuuA:
22.52
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.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 127
GLY A 152
ASP A 156
GLY A 145
HIS A 283
 None
 1.17A 5nnaD-1uouA:
undetectable		 5nnaD-1uouA:
20.50
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 ILE A 338
TRP A 230
GLY A 336
GLY A 380
HIS A 232
 R71  A1733 (-4.8A)
None
None
R71  A1733 (-4.3A)
R71  A1733 (-3.5A)
 1.15A 5nnaD-1w6jA:
undetectable		 5nnaD-1w6jA:
16.55
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE B  25
LEU B  13
VAL B  52
GLY B  31
GLY B  42
 None
 1.22A 5nnaD-1w85B:
undetectable		 5nnaD-1w85B:
21.76
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ILE A 308
LEU A 348
VAL A 319
GLY A 335
GLY A 294
 ILE  A 308 ( 0.7A)
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
GLY  A 335 ( 0.0A)
GLY  A 294 ( 0.0A)
 1.04A 5nnaD-1wsvA:
undetectable		 5nnaD-1wsvA:
20.47
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 ILE A 226
LEU A 246
SER A  49
GLY A 183
GLY A 228
 None
 1.18A 5nnaD-1zwxA:
undetectable		 5nnaD-1zwxA:
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ILE A 243
LEU A 251
GLY A 412
ASP A 172
GLY A 246
 None
 1.03A 5nnaD-2b24A:
undetectable		 5nnaD-2b24A:
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 ILE A 260
LEU A 258
GLY A  76
GLY A 361
HIS A 135
 3HB  A 641 (-4.2A)
None
3HB  A 641 (-3.3A)
FAD  A 640 (-3.6A)
3HB  A 641 (-3.8A)
 1.06A 5nnaD-2dkhA:
undetectable		 5nnaD-2dkhA:
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.
2e1b 216AA LONG
HYPOTHETICAL
ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ILE A  98
LEU A  95
SER A 123
GLY A 130
GLY A 124
 None
None
ZN  A 300 ( 4.9A)
None
None
 1.11A 5nnaD-2e1bA:
undetectable		 5nnaD-2e1bA:
21.63
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ILE A 307
HIS A 153
GLY A 147
GLY A 143
TYR A 156
 None
 1.14A 5nnaD-2e7zA:
undetectable		 5nnaD-2e7zA:
15.59
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 ILE X 509
LEU X 577
ASP X 517
GLY X 516
HIS X 520
 None
 1.11A 5nnaD-2epkX:
undetectable		 5nnaD-2epkX:
15.95
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.
2fy1 RNA-BINDING MOTIF
PROTEIN, Y
CHROMOSOME, FAMILY 1
MEMBER A1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ILE A  12
LEU A  24
GLY A  14
GLY A  49
HIS A  74
 None
None
C  B 119 ( 2.7A)
C  B 119 ( 4.8A)
None
 1.12A 5nnaD-2fy1A:
undetectable		 5nnaD-2fy1A:
19.43
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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA

(Synechocystis
sp.) 		PF13379
(NMT1_2) 		5 LEU A 257
PRO A 244
GLY A 154
GLY A 240
HIS A 266
 None
None
None
NO3  A 700 (-3.2A)
None
 1.19A 5nnaD-2g29A:
undetectable		 5nnaD-2g29A:
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 529
LEU A 588
PRO A 594
GLY A 527
ASP A 524
 None
 1.15A 5nnaD-2gv9A:
undetectable		 5nnaD-2gv9A:
11.96
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 ILE A 111
LEU A 119
TRP A  33
GLY A 109
TYR A  40
 None
 1.03A 5nnaD-2i7xA:
undetectable		 5nnaD-2i7xA:
16.12
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU B 161
PRO B 193
SER B 232
ASP B 111
GLY B 113
 None
 1.22A 5nnaD-2po2B:
undetectable		 5nnaD-2po2B:
22.11
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.
2pz0 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Caldanaerobacter
subterraneus) 		PF03009
(GDPD) 		5 ILE A  15
LEU A 115
HIS A 193
GLY A 235
ASP A 234
 None
 0.97A 5nnaD-2pz0A:
undetectable		 5nnaD-2pz0A:
24.44
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		5 ILE A 469
LEU A 386
GLY A 472
ASP A 383
GLY A 382
 None
 1.18A 5nnaD-2qa2A:
undetectable		 5nnaD-2qa2A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A1149
LEU A 831
SER A 814
GLY A1076
ASP A1078
 None
 1.14A 5nnaD-2vdcA:
undetectable		 5nnaD-2vdcA:
10.84
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.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 313
VAL B 310
GLY B 259
ASP B 261
HIS B 240
 None
 1.19A 5nnaD-2vduB:
undetectable		 5nnaD-2vduB:
19.38
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.
2w5f ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10)
PF02018
(CBM_4_9) 		5 LEU A 446
VAL A 423
GLY A 422
ASP A 455
GLY A 453
 None
 1.20A 5nnaD-2w5fA:
undetectable		 5nnaD-2w5fA:
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.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 ILE A  97
VAL A  62
GLY A  61
ASP A  95
GLY A  93
 None
 1.21A 5nnaD-2wfcA:
undetectable		 5nnaD-2wfcA:
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 TRP A 167
PRO A  75
GLY A 156
GLY A 245
HIS A 220
 None
 1.06A 5nnaD-2wknA:
undetectable		 5nnaD-2wknA:
21.89
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 ILE A 153
LEU A 179
VAL A 158
GLY A 159
GLY A 131
 None
 1.15A 5nnaD-2xf4A:
undetectable		 5nnaD-2xf4A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 180
LEU A 199
VAL A 178
GLY A 131
ASP A 150
 None
 1.14A 5nnaD-2xgtA:
undetectable		 5nnaD-2xgtA:
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.
2zvb PRECORRIN-3
C17-METHYLTRANSFERAS
E

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		5 ILE A 243
LEU A 227
VAL A 178
ASP A 175
GLY A 172
 None
 1.15A 5nnaD-2zvbA:
undetectable		 5nnaD-2zvbA:
21.10
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale) 		PF00232
(Glyco_hydro_1) 		5 HIS A 193
TRP A 289
SER A 211
GLY A 201
TYR A 228
 None
 1.08A 5nnaD-3aivA:
undetectable		 5nnaD-3aivA:
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.
3b8l UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		5 ILE A  46
LEU A  43
GLY A 110
GLY A  96
TYR A 112
 None
None
None
GOL  A 146 (-4.0A)
GOL  A 145 (-4.4A)
 1.23A 5nnaD-3b8lA:
undetectable		 5nnaD-3b8lA:
22.73
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.
3ck2 CONSERVED
UNCHARACTERIZED
PROTEIN (PREDICTED
PHOSPHOESTERASE
COG0622)

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		5 LEU A  84
VAL A  54
GLY A  37
ASP A  38
GLY A 109
 None
None
None
MN  A 202 ( 2.9A)
None
 1.20A 5nnaD-3ck2A:
undetectable		 5nnaD-3ck2A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 164
GLY A 165
ASP A 166
GLY A 387
HIS A 571
 None
 1.16A 5nnaD-3cmgA:
1.6		 5nnaD-3cmgA:
16.64
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.
3d3b 30S RIBOSOMAL
PROTEIN S10

(Escherichia
coli) 		PF00338
(Ribosomal_S10) 		5 ILE J  25
LEU J  10
VAL J  26
ASP J  54
GLY J  38
 None
 1.21A 5nnaD-3d3bJ:
undetectable		 5nnaD-3d3bJ:
17.12
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		5 ILE A  46
LEU A   6
SER A 303
GLY A  21
GLY A  19
 None
 1.13A 5nnaD-3gayA:
1.5		 5nnaD-3gayA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdo UNCHARACTERIZED
OXIDOREDUCTASE YVAA

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 341
HIS A 131
GLY A 187
ASP A 185
GLY A 181
 None
 1.08A 5nnaD-3gdoA:
undetectable		 5nnaD-3gdoA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 HIS A 198
VAL A  19
GLY A  20
ASP A  43
GLY A  22
 None
EDO  A 502 (-3.9A)
EDO  A 502 ( 4.8A)
NAP  A 401 (-3.7A)
NAP  A 401 (-3.2A)
 1.22A 5nnaD-3h7rA:
undetectable		 5nnaD-3h7rA:
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		5 ILE A  82
LEU A  90
VAL A  83
GLY A  86
ASP A 110
 None
 1.18A 5nnaD-3hcyA:
undetectable		 5nnaD-3hcyA:
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.
3jrk TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 ILE A 304
LEU A  56
TRP A 295
SER A 245
GLY A 273
 None
 1.22A 5nnaD-3jrkA:
1.9		 5nnaD-3jrkA:
25.29
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.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 ILE A 285
VAL A 244
GLY A 243
ASP A 106
GLY A 111
 None
None
None
ZN  A 401 ( 2.0A)
None
 1.06A 5nnaD-3lnlA:
2.4		 5nnaD-3lnlA:
19.79
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.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 LEU A 304
VAL A 444
GLY A 443
ASP A 442
GLY A 438
 None
FAD  A 500 (-4.9A)
None
None
FAD  A 500 (-3.6A)
 0.90A 5nnaD-3lovA:
undetectable		 5nnaD-3lovA:
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.
3myo TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 1

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 ILE A 307
LEU A  59
TRP A 298
SER A 248
GLY A 276
 None
 1.22A 5nnaD-3myoA:
undetectable		 5nnaD-3myoA:
22.81
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 ILE A  73
LEU A  41
SER A 114
GLY A 112
GLY A 136
 None
None
POP  A 543 ( 3.0A)
None
IFP  A 542 (-3.1A)
 1.02A 5nnaD-3nm1A:
undetectable		 5nnaD-3nm1A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 ILE A 385
LEU A 336
VAL A 418
GLY A 419
GLY A 414
 None
 0.86A 5nnaD-3nowA:
undetectable		 5nnaD-3nowA:
15.19
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A  86
LEU A 118
SER A 193
VAL A  85
GLY A 194
 None
 1.15A 5nnaD-3pv4A:
undetectable		 5nnaD-3pv4A:
23.68
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.
3qve HMG BOX-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF08517
(AXH) 		6 TRP A 212
VAL A 333
GLY A 261
GLY A 285
TYR A 257
HIS A 213
 None
EDO  A  13 ( 4.6A)
EDO  A  13 (-4.4A)
EDO  A  13 (-3.6A)
None
None
 1.26A 5nnaD-3qveA:
undetectable		 5nnaD-3qveA:
17.36
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.
3s4o PROTEIN TYROSINE
PHOSPHATASE-LIKE
PROTEIN

(Leishmania
major) 		PF00782
(DSPc) 		5 ILE A 108
LEU A  90
HIS A  68
TRP A  70
GLY A 109
 None
 1.23A 5nnaD-3s4oA:
undetectable		 5nnaD-3s4oA:
20.75
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 ILE A  85
LEU A 130
SER A 178
VAL A 175
ASP A  80
 None
 1.13A 5nnaD-3sggA:
2.1		 5nnaD-3sggA:
17.84
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 600
VAL A 601
GLY A 696
ASP A 697
HIS A 677
 0F4  A 902 (-4.1A)
None
0F4  A 902 (-3.3A)
None
0F4  A 902 (-4.1A)
 1.22A 5nnaD-3v5qA:
undetectable		 5nnaD-3v5qA:
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 SER A 596
VAL A 517
GLY A 510
GLY A 508
TYR A 409
 None
None
AP2  A 806 ( 4.8A)
AP2  A 806 (-3.0A)
AP2  A 806 (-4.2A)
 1.17A 5nnaD-3vthA:
undetectable		 5nnaD-3vthA:
16.11
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 205
LEU A 152
TRP A 374
GLY A 203
GLY A 149
 None
None
None
CL  A 407 ( 4.4A)
None
 1.18A 5nnaD-3wigA:
undetectable		 5nnaD-3wigA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 SER A  68
VAL A 104
GLY A 103
GLY A  98
HIS A 199
 None
 1.17A 5nnaD-3wv4A:
undetectable		 5nnaD-3wv4A:
21.21
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 SER A  68
VAL A 104
GLY A 103
GLY A  98
HIS A 199
 None
 1.21A 5nnaD-3wvnA:
undetectable		 5nnaD-3wvnA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aay AROB

(Rhizobium sp.
NT-26) 		PF00355
(Rieske) 		5 ILE B 158
LEU B  79
GLY B  91
ASP B  95
GLY B  89
 None
 1.18A 5nnaD-4aayB:
undetectable		 5nnaD-4aayB:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 ILE C 220
LEU C   3
SER C 212
GLY C 208
GLY C 211
 None
None
None
FAD  C1283 (-3.6A)
None
 1.11A 5nnaD-4ci0C:
undetectable		 5nnaD-4ci0C:
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 283
PRO A 278
GLY A 286
ASP A 253
GLY A 251
 None
 1.09A 5nnaD-4i3gA:
undetectable		 5nnaD-4i3gA:
16.09
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 HIS A  11
VAL A 176
ASP A 268
GLY A 230
HIS A   9
 ZN  A 401 (-3.4A)
None
None
None
ZN  A 401 (-3.5A)
 1.10A 5nnaD-4ifrA:
1.7		 5nnaD-4ifrA:
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		5 HIS A   8
VAL A 173
ASP A 265
GLY A 226
HIS A   6
 ZN  A 401 (-3.5A)
None
None
None
ZN  A 401 (-3.4A)
 1.20A 5nnaD-4igmA:
0.2		 5nnaD-4igmA:
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 LEU A 217
HIS A 165
GLY A 191
GLY A 220
HIS A 161
 None
None
AMP  A 402 (-3.4A)
None
EDO  A 404 ( 3.7A)
 1.23A 5nnaD-4ijnA:
undetectable		 5nnaD-4ijnA:
22.57
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ILE A   5
LEU A 204
VAL A 104
GLY A  97
TYR A  94
 None
 1.18A 5nnaD-4jb3A:
undetectable		 5nnaD-4jb3A:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		5 ILE A 195
HIS A  77
PRO A 169
ASP A 198
GLY A 200
 None
MN  A 301 ( 3.3A)
None
None
None
 1.19A 5nnaD-4m8dA:
39.1		 5nnaD-4m8dA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		6 ILE A 195
LEU A  35
PRO A 169
ASP A 198
GLY A 200
HIS A 212
 None
23J  A 302 (-4.8A)
None
None
None
23J  A 302 (-4.0A)
 1.43A 5nnaD-4m8dA:
39.1		 5nnaD-4m8dA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		6 ILE A 195
PRO A 169
GLY A 196
ASP A 198
GLY A 200
HIS A 212
 None
None
23J  A 302 (-3.5A)
None
None
23J  A 302 (-4.0A)
 1.42A 5nnaD-4m8dA:
39.1		 5nnaD-4m8dA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		7 LEU A  35
HIS A  83
TRP A  84
PRO A 169
ASP A 198
GLY A 200
HIS A 212
 23J  A 302 (-4.8A)
23J  A 302 (-3.6A)
None
None
None
None
23J  A 302 (-4.0A)
 1.50A 5nnaD-4m8dA:
39.1		 5nnaD-4m8dA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		9 LEU A  37
HIS A  83
TRP A  84
PRO A 169
SER A 171
GLY A 196
ASP A 198
GLY A 200
HIS A 212
 None
23J  A 302 (-3.6A)
None
None
None
23J  A 302 (-3.5A)
None
None
23J  A 302 (-4.0A)
 0.37A 5nnaD-4m8dA:
39.1		 5nnaD-4m8dA:
49.44
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 ILE A 461
LEU A 464
TRP A 239
GLY A 457
GLY A 205
 None
 1.22A 5nnaD-4m8jA:
undetectable		 5nnaD-4m8jA:
20.08
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.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		5 LEU A  62
PRO A  77
VAL A 201
GLY A 202
HIS A 208
 None
 1.23A 5nnaD-4mlzA:
undetectable		 5nnaD-4mlzA:
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1

(Sicarius
terrosus) 		no annotation 5 LEU A 257
VAL A 245
GLY A 244
ASP A 243
GLY A 241
 None
 1.19A 5nnaD-4q6xA:
undetectable		 5nnaD-4q6xA:
23.20
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.
4u8f PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1892

(Streptococcus
agalactiae) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		5 ILE A   6
LEU A  59
SER A  45
GLY A  37
GLY A 187
 None
 1.10A 5nnaD-4u8fA:
undetectable		 5nnaD-4u8fA:
23.21
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.
4u9p UPF0264 PROTEIN
MJ1099

(Methanocaldococcus
jannaschii) 		PF04476
(4HFCP_synth) 		5 ILE A  69
LEU A 100
VAL A  59
GLY A  60
ASP A  61
 None
 1.16A 5nnaD-4u9pA:
2.0		 5nnaD-4u9pA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		5 ILE A 105
LEU A 164
VAL A  76
GLY A  75
GLY A  72
 None
None
NA  A1338 ( 4.4A)
None
None
 1.23A 5nnaD-4us5A:
undetectable		 5nnaD-4us5A:
22.66
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 LEU A 203
VAL A 209
GLY A 208
ASP A 178
GLY A 179
 None
 1.19A 5nnaD-4yj5A:
undetectable		 5nnaD-4yj5A:
20.50
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.
5cz1 INTEGRASE

(Mouse mammary
tumor virus) 		PF00665
(rve) 		5 LEU A 188
HIS A 105
SER A  86
VAL A  82
TYR A 112
 None
 1.13A 5nnaD-5cz1A:
undetectable		 5nnaD-5cz1A:
22.93
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 ILE B  88
LEU B  91
SER B 106
GLY B 110
GLY B 105
 None
 1.04A 5nnaD-5do7B:
undetectable		 5nnaD-5do7B:
15.97
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 548
LEU A 501
PRO A 463
SER A 579
GLY A 580
 None
 1.09A 5nnaD-5fjjA:
undetectable		 5nnaD-5fjjA:
15.71
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.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 657
LEU A 651
VAL A 658
ASP A 836
HIS A 816
 748  A1001 ( 4.4A)
None
748  A1001 ( 4.8A)
748  A1001 (-4.8A)
748  A1001 (-3.8A)
 1.19A 5nnaD-5grnA:
undetectable		 5nnaD-5grnA:
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 310
LEU A 161
VAL A 147
GLY A  96
GLY A  98
 None
 1.07A 5nnaD-5h83A:
undetectable		 5nnaD-5h83A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 LEU A  97
TRP A 115
VAL A 193
GLY A 192
TYR A 118
 None
 1.20A 5nnaD-5huuA:
undetectable		 5nnaD-5huuA:
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 ILE A 291
LEU A 305
SER A 438
GLY A 276
TYR A 278
 None
 1.21A 5nnaD-5j6bA:
undetectable		 5nnaD-5j6bA:
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.
5k8r PROTOCADHERIN
GAMMA-B3

(Homo sapiens) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 ILE A 352
HIS A 342
GLY A 350
ASP A 345
GLY A 398
 None
None
CA  A 504 ( 4.7A)
CA  A 505 ( 3.2A)
None
 1.19A 5nnaD-5k8rA:
undetectable		 5nnaD-5k8rA:
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ILE A 378
HIS A 100
GLY A 398
GLY A 396
HIS A 403
 None
None
FAD  A 901 (-4.4A)
None
None
 1.03A 5nnaD-5l46A:
undetectable		 5nnaD-5l46A:
14.41
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.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum) 		no annotation 7 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
TYR A 211
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
None
SIN  A 302 (-4.2A)
 0.69A 5nnaD-5nmpA:
38.3		 5nnaD-5nmpA:
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 6 ILE A  32
LEU A  34
HIS A  79
ASP A 193
GLY A 197
HIS A 207
 92K  A 302 (-4.1A)
92K  A 302 (-4.4A)
92K  A 302 (-3.2A)
None
None
92K  A 302 (-4.0A)
 1.28A 5nnaD-5nnbA:
42.9		 5nnaD-5nnbA:
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 12 ILE A  32
LEU A  34
HIS A  79
TRP A  80
PRO A 163
SER A 165
VAL A 190
GLY A 191
ASP A 193
GLY A 195
TYR A 204
HIS A 207
 92K  A 302 (-4.1A)
92K  A 302 (-4.4A)
92K  A 302 (-3.2A)
None
None
None
None
92K  A 302 ( 4.3A)
None
None
92K  A 302 (-3.6A)
92K  A 302 (-4.0A)
 0.46A 5nnaD-5nnbA:
42.9		 5nnaD-5nnbA:
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.
5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 5 ILE B 158
LEU B  79
GLY B  91
ASP B  95
GLY B  89
 None
 1.17A 5nnaD-5nqdB:
undetectable		 5nnaD-5nqdB:
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 PRO A 490
SER A 408
VAL A 445
ASP A 386
GLY A 388
 None
 0.99A 5nnaD-5o3wA:
undetectable		 5nnaD-5o3wA:
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9)
PF02662
(FlpD)
PF01058
(Oxidored_q6) 		5 ILE D  46
LEU D  50
SER E 258
GLY D  44
GLY A 626
 None
 1.02A 5nnaD-5odrD:
undetectable		 5nnaD-5odrD:
15.97
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.
5v5f AT3G11770

(Arabidopsis
thaliana) 		PF01612
(DNA_pol_A_exo1) 		5 ILE A 132
LEU A 153
VAL A 107
ASP A  52
GLY A 188
 None
 1.23A 5nnaD-5v5fA:
undetectable		 5nnaD-5v5fA:
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 5 ILE A 761
LEU A 768
SER A 755
ASP A 757
GLY A 756
 None
 1.22A 5nnaD-6bhuA:
undetectable		 5nnaD-6bhuA:
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 ILE A 247
LEU A 242
GLY A 329
ASP A 330
HIS A 310
 FKY  A9001 (-4.1A)
FKY  A9001 (-4.7A)
FKY  A9001 (-3.4A)
None
FKY  A9001 (-3.9A)
 0.94A 5nnaD-6cz4A:
undetectable		 5nnaD-6cz4A:
undetectable