SIMILAR PATTERNS OF AMINO ACIDS FOR 5NNA_C_BZMC301

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
0.91A 5nnaC-1at3A:
undetectable
5nnaC-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.
1bqg D-GLUCARATE
DEHYDRATASE


(Pseudomonas
putida)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 223
LEU A 254
PRO A 242
VAL A 226
GLY A 214
None
1.12A 5nnaC-1bqgA:
0.0
5nnaC-1bqgA:
19.96
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.
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 5nnaC-1c3cA:
undetectable
5nnaC-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.
1ccw PROTEIN (GLUTAMATE
MUTASE)


(Clostridium
cochlearium)
PF06368
(Met_asp_mut_E)
5 LEU B 157
VAL B 132
GLY B 131
GLY B 127
TYR B 104
None
1.22A 5nnaC-1ccwB:
0.0
5nnaC-1ccwB:
19.18
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.
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)
1.18A 5nnaC-1eg7A:
undetectable
5nnaC-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.
1f7u ARGINYL-TRNA
SYNTHETASE


(Saccharomyces
cerevisiae)
PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1)
5 ILE A 127
PRO A 535
VAL A 591
ASP A 133
GLY A 135
None
1.16A 5nnaC-1f7uA:
undetectable
5nnaC-1f7uA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
1.14A 5nnaC-1f9kA:
undetectable
5nnaC-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.
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
1.06A 5nnaC-1gpeA:
0.7
5nnaC-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)
1.15A 5nnaC-1gzcA:
undetectable
5nnaC-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.
1jzt HYPOTHETICAL 27.5
KDA PROTEIN IN
SPX19-GCR2
INTERGENIC REGION


(Saccharomyces
cerevisiae)
PF03853
(YjeF_N)
5 ILE A 190
LEU A 160
PRO A 188
SER A 186
GLY A 177
None
1.11A 5nnaC-1jztA:
undetectable
5nnaC-1jztA:
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.
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
1.19A 5nnaC-1kv9A:
undetectable
5nnaC-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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE


(Leishmania
mexicana)
PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C)
5 ILE A 241
LEU A 238
VAL A 205
GLY A 202
GLY A 252
None
1.11A 5nnaC-1m66A:
undetectable
5nnaC-1m66A:
22.82
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.
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
1.16A 5nnaC-1nmoA:
undetectable
5nnaC-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
1.16A 5nnaC-1obbA:
undetectable
5nnaC-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
1.04A 5nnaC-1oy1A:
undetectable
5nnaC-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
1.15A 5nnaC-1qotA:
undetectable
5nnaC-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)
1.19A 5nnaC-1tuuA:
undetectable
5nnaC-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.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE


(Human
alphaherpesvirus
3)
PF00716
(Peptidase_S21)
5 ILE A  48
LEU A 142
VAL A  61
GLY A  75
TYR A 155
None
0.91A 5nnaC-1vzvA:
undetectable
5nnaC-1vzvA:
22.06
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.
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)
1.14A 5nnaC-1w6jA:
undetectable
5nnaC-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.
1woy METHIONYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g)
5 ILE A 450
LEU A 451
PRO A 454
VAL A 473
ASP A  39
None
1.11A 5nnaC-1woyA:
undetectable
5nnaC-1woyA:
18.22
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.
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 5nnaC-1wsvA:
undetectable
5nnaC-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.
1xaj 3-DEHYDROQUINATE
SYNTHASE


(Staphylococcus
aureus)
PF01761
(DHQ_synthase)
5 ILE A  14
LEU A 222
VAL A 157
GLY A 135
TYR A   7
None
1.05A 5nnaC-1xajA:
undetectable
5nnaC-1xajA:
19.83
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.
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
1.15A 5nnaC-1zwxA:
undetectable
5nnaC-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.
2a3s MYOCYTE NUCLEAR
FACTOR


(Mus musculus)
PF00250
(Forkhead)
5 ILE A  51
LEU A  11
ASP A  44
GLY A  46
TYR A  40
None
1.21A 5nnaC-2a3sA:
undetectable
5nnaC-2a3sA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.05A 5nnaC-2b24A:
undetectable
5nnaC-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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE


(Paenarthrobacter
nicotinovorans)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 ILE A 351
LEU A 231
PRO A 243
GLY A 371
GLY A 353
None
1.06A 5nnaC-2bvgA:
undetectable
5nnaC-2bvgA:
21.81
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.
2chr CHLOROMUCONATE
CYCLOISOMERASE


(Cupriavidus
necator)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A 334
VAL A  44
GLY A  45
GLY A 304
TYR A  31
None
1.20A 5nnaC-2chrA:
undetectable
5nnaC-2chrA:
24.80
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.
2cve HYPOTHETICAL PROTEIN
TTHA1053


(Thermus
thermophilus)
PF01205
(UPF0029)
PF09186
(DUF1949)
5 LEU A 104
PRO A  73
VAL A  90
GLY A  49
GLY A  71
TLA  A 192 (-4.5A)
None
None
None
None
0.93A 5nnaC-2cveA:
undetectable
5nnaC-2cveA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
1.10A 5nnaC-2dkhA:
undetectable
5nnaC-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 5nnaC-2e1bA:
undetectable
5nnaC-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
1.10A 5nnaC-2e7zA:
undetectable
5nnaC-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
1.16A 5nnaC-2epkX:
2.1
5nnaC-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
1.14A 5nnaC-2fy1A:
undetectable
5nnaC-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
1.21A 5nnaC-2g29A:
undetectable
5nnaC-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
1.13A 5nnaC-2gv9A:
undetectable
5nnaC-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.
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 5nnaC-2pz0A:
undetectable
5nnaC-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.
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
1.10A 5nnaC-2vdcA:
undetectable
5nnaC-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.
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
1.21A 5nnaC-2w5fA:
undetectable
5nnaC-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
1.20A 5nnaC-2wfcA:
undetectable
5nnaC-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
1.05A 5nnaC-2wknA:
undetectable
5nnaC-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.
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
1.11A 5nnaC-2xgtA:
undetectable
5nnaC-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.
2z6v PUTATIVE
UNCHARACTERIZED
PROTEIN


(Mycobacterium
avium)
PF13469
(Sulfotransfer_3)
5 LEU A 300
HIS A 252
ASP A 308
GLY A 307
HIS A 313
None
1.15A 5nnaC-2z6vA:
undetectable
5nnaC-2z6vA:
21.16
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.
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
1.16A 5nnaC-2zvbA:
undetectable
5nnaC-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
1.02A 5nnaC-3aivA:
undetectable
5nnaC-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.
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
1.18A 5nnaC-3ck2A:
undetectable
5nnaC-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 5nnaC-3cmgA:
1.8
5nnaC-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.
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
1.15A 5nnaC-3gayA:
undetectable
5nnaC-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.
3gt0 PYRROLINE-5-CARBOXYL
ATE REDUCTASE


(Bacillus cereus)
PF03807
(F420_oxidored)
PF14748
(P5CR_dimer)
5 ILE A  18
LEU A  51
SER A  70
GLY A  14
GLY A   9
None
1.03A 5nnaC-3gt0A:
undetectable
5nnaC-3gt0A:
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.
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 5nnaC-3h7rA:
undetectable
5nnaC-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
1.20A 5nnaC-3hcyA:
undetectable
5nnaC-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
1.19A 5nnaC-3jrkA:
undetectable
5nnaC-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.
3khy PROPIONATE KINASE

(Francisella
tularensis)
PF00871
(Acetate_kinase)
5 LEU A 228
HIS A 178
GLY A 202
GLY A 231
HIS A 174
None
1.21A 5nnaC-3khyA:
undetectable
5nnaC-3khyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.93A 5nnaC-3lovA:
undetectable
5nnaC-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
1.19A 5nnaC-3myoA:
undetectable
5nnaC-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 5nnaC-3nm1A:
undetectable
5nnaC-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
0.87A 5nnaC-3nowA:
undetectable
5nnaC-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.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Actinobacillus
succinogenes)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 218
LEU A 249
PRO A 237
VAL A 221
GLY A 209
None
1.11A 5nnaC-3pfrA:
undetectable
5nnaC-3pfrA:
22.71
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.
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
1.21A 5nnaC-3pv4A:
undetectable
5nnaC-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
1.25A 5nnaC-3qveA:
undetectable
5nnaC-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
1.22A 5nnaC-3s4oA:
undetectable
5nnaC-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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A)
PF00740
(Parvo_coat)
5 HIS A 291
TRP A 685
PRO A 633
GLY A 616
GLY A 636
None
1.20A 5nnaC-3shmA:
undetectable
5nnaC-3shmA:
19.09
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.
3tad LIPRIN-BETA-1

(Mus musculus)
PF00536
(SAM_1)
PF07647
(SAM_2)
5 ILE C 651
LEU C 660
SER C 626
GLY C 650
GLY C 627
None
1.22A 5nnaC-3tadC:
undetectable
5nnaC-3tadC:
23.55
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 ILE A  20
PRO A 182
VAL A 221
GLY A 219
ASP A 216
None
1.19A 5nnaC-3u5tA:
undetectable
5nnaC-3u5tA:
24.83
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
6 ILE A 600
LEU A 595
VAL A 601
GLY A 696
ASP A 697
HIS A 677
0F4  A 902 (-4.1A)
0F4  A 902 ( 4.8A)
None
0F4  A 902 (-3.3A)
None
0F4  A 902 (-4.1A)
1.24A 5nnaC-3v5qA:
undetectable
5nnaC-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)
1.12A 5nnaC-3vthA:
undetectable
5nnaC-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.
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
1.19A 5nnaC-3wv4A:
undetectable
5nnaC-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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2)
PF00144
(Beta-lactamase)
5 ILE A  87
LEU A 280
SER A 367
GLY A 336
TYR A  82
None
1.20A 5nnaC-3wwxA:
undetectable
5nnaC-3wwxA:
22.40
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE


(Paenarthrobacter
aurescens)
PF00202
(Aminotran_3)
5 LEU A 440
PRO A 433
ASP A  54
GLY A  79
TYR A  10
None
1.16A 5nnaC-4atqA:
undetectable
5nnaC-4atqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.12A 5nnaC-4ci0C:
undetectable
5nnaC-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.
4fym OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Plasmodium
falciparum)
PF00156
(Pribosyltran)
5 ILE A 112
LEU A 103
PRO A 139
ASP A 208
GLY A 137
None
1.21A 5nnaC-4fymA:
undetectable
5nnaC-4fymA:
17.95
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.
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
1.06A 5nnaC-4i3gA:
1.7
5nnaC-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)
1.11A 5nnaC-4ifrA:
1.3
5nnaC-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)
1.21A 5nnaC-4igmA:
1.2
5nnaC-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)
1.20A 5nnaC-4ijnA:
undetectable
5nnaC-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.
4iuw NEUTRAL
ENDOPEPTIDASE


(Lactobacillus
rhamnosus)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
5 LEU A 400
HIS A 309
TRP A 306
PRO A  84
GLY A  81
None
CO3  A 713 (-4.1A)
None
None
None
1.21A 5nnaC-4iuwA:
undetectable
5nnaC-4iuwA:
16.32
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
1.17A 5nnaC-4m8dA:
39.5
5nnaC-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)
1.33A 5nnaC-4m8dA:
39.5
5nnaC-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)
1.37A 5nnaC-4m8dA:
39.5
5nnaC-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)
1.43A 5nnaC-4m8dA:
39.5
5nnaC-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)
0.35A 5nnaC-4m8dA:
39.5
5nnaC-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.
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
1.22A 5nnaC-4mlzA:
undetectable
5nnaC-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.
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
1.21A 5nnaC-4u9pA:
1.9
5nnaC-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.
4v08 UL26

(Suid
alphaherpesvirus
1)
PF00716
(Peptidase_S21)
5 ILE A  39
LEU A 131
VAL A  52
GLY A  66
TYR A 144
None
0.96A 5nnaC-4v08A:
undetectable
5nnaC-4v08A:
25.89
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri)
PF00752
(XPG_N)
PF00867
(XPG_I)
5 ILE A 185
LEU A  68
VAL A 182
GLY A 167
TYR A  77
None
1.12A 5nnaC-4wa8A:
undetectable
5nnaC-4wa8A:
19.71
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus)
PF02477
(Nairo_nucleo)
5 LEU A 380
TRP A 350
SER A 402
GLY A 388
GLY A 330
None
1.20A 5nnaC-4xz8A:
undetectable
5nnaC-4xz8A:
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT


(Azospira oryzae)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
5 TRP A 461
PRO A 722
VAL A 332
GLY A 333
GLY A 336
None
1.11A 5nnaC-5chcA:
undetectable
5nnaC-5chcA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 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
1.12A 5nnaC-5do7B:
undetectable
5nnaC-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
1.15A 5nnaC-5fjjA:
undetectable
5nnaC-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.
5h4u ENDO-BETA-1,4-GLUCAN
ASE


(Cryptopygus
antarcticus)
PF02015
(Glyco_hydro_45)
5 ILE A 154
LEU A 163
PRO A 143
GLY A 153
GLY A 146
None
1.20A 5nnaC-5h4uA:
undetectable
5nnaC-5h4uA:
18.91
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.
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 5nnaC-5h83A:
undetectable
5nnaC-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.
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
1.02A 5nnaC-5l46A:
undetectable
5nnaC-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 6 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
HIS A 214
None
SIN  A 302 (-3.7A)
None
None
None
SIN  A 302 (-4.2A)
0.70A 5nnaC-5nmpA:
38.4
5nnaC-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.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum)
no annotation 6 LEU A  39
HIS A  84
TRP A  85
ASP A 200
TYR A 211
HIS A 214
None
SIN  A 302 (-3.7A)
None
None
None
SIN  A 302 (-4.2A)
0.91A 5nnaC-5nmpA:
38.4
5nnaC-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)
1.33A 5nnaC-5nnbA:
43.4
5nnaC-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)
0.42A 5nnaC-5nnbA:
43.4
5nnaC-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.
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
1.07A 5nnaC-5o3wA:
undetectable
5nnaC-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.
5ubj ALPHA-L-ARABINOFURAN
OSIDASE AXHA-2


(Aspergillus
nidulans)
PF03664
(Glyco_hydro_62)
5 ILE A 292
LEU A 226
TRP A  32
GLY A  25
TYR A  30
None
1.06A 5nnaC-5ubjA:
undetectable
5nnaC-5ubjA:
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.
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 5nnaC-6cz4A:
undetectable
5nnaC-6cz4A:
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.
6dgi D-ALANINE--D-ALANINE
LIGASE


(Vibrio cholerae)
no annotation 5 LEU A  96
TRP A  49
PRO A 108
SER A 111
GLY A  90
None
None
GOL  A 401 (-4.6A)
None
GOL  A 401 (-4.6A)
1.17A 5nnaC-6dgiA:
undetectable
5nnaC-6dgiA:
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.
6e12 -

(-)
no annotation 5 ILE A  31
LEU A 156
HIS A 120
SER A  23
GLY A  26
OLA  A 301 (-4.6A)
None
OLA  A 301 (-3.8A)
None
OLA  A 301 (-3.9A)
1.20A 5nnaC-6e12A:
undetectable
5nnaC-6e12A:
undetectable