SIMILAR PATTERNS OF AMINO ACIDS FOR 1FXV_B_PNNB1001_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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 SER B   1
PHE B  24
ALA B  69
PHE B  71
 None
 0.32A 1fxvA-1cp9B:
0.0
1fxvB-1cp9B:
57.8		 1fxvA-1cp9B:
18.70
1fxvB-1cp9B:
64.09
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		4 SER B  52
PHE B  15
ALA B 115
PHE B 112
 None
 1.20A 1fxvA-1htrB:
0.0
1fxvB-1htrB:
undetectable		 1fxvA-1htrB:
22.22
1fxvB-1htrB:
20.28
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.
1j5w GLYCYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermotoga
maritima) 		PF02091
(tRNA-synt_2e) 		4 SER A  42
SER A 117
ALA A 122
PHE A 142
 None
 1.09A 1fxvA-1j5wA:
0.0
1fxvB-1j5wA:
0.0		 1fxvA-1j5wA:
21.82
1fxvB-1j5wA:
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.
1j5x GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Thermotoga
maritima) 		PF01380
(SIS) 		4 MET A 225
SER A 230
ALA A 303
PHE A 205
 None
 1.20A 1fxvA-1j5xA:
0.0
1fxvB-1j5xA:
undetectable		 1fxvA-1j5xA:
21.62
1fxvB-1j5xA:
19.15
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 SER A 572
PHE A 532
ALA A 576
PHE A 430
 None
 0.96A 1fxvA-1kwgA:
0.0
1fxvB-1kwgA:
0.0		 1fxvA-1kwgA:
13.85
1fxvB-1kwgA:
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		4 PHE A 173
SER A 223
ALA A  21
PHE A 261
 None
 1.20A 1fxvA-1lgyA:
undetectable
1fxvB-1lgyA:
0.0		 1fxvA-1lgyA:
19.30
1fxvB-1lgyA:
17.71
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 PHE A 634
SER A 376
ALA A 378
PHE A 593
 None
 1.16A 1fxvA-1n7dA:
undetectable
1fxvB-1n7dA:
undetectable		 1fxvA-1n7dA:
14.00
1fxvB-1n7dA:
20.39
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.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		4 PHE A  96
PHE A  91
ALA A  97
PHE A 142
 None
 1.23A 1fxvA-1oduA:
0.0
1fxvB-1oduA:
0.0		 1fxvA-1oduA:
18.34
1fxvB-1oduA:
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 MET A  84
SER A  95
SER A  15
ALA A  18
 None
 1.21A 1fxvA-1qgdA:
0.0
1fxvB-1qgdA:
0.0		 1fxvA-1qgdA:
14.11
1fxvB-1qgdA:
24.37
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		4 MET A 257
SER A 212
ALA A 195
PHE A 218
 None
 1.12A 1fxvA-1u7wA:
undetectable
1fxvB-1u7wA:
undetectable		 1fxvA-1u7wA:
22.04
1fxvB-1u7wA:
17.23
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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		4 MET A1564
SER A1732
PHE A1596
ALA A1623
 None
 1.11A 1fxvA-1uyvA:
undetectable
1fxvB-1uyvA:
undetectable		 1fxvA-1uyvA:
15.54
1fxvB-1uyvA:
20.42
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.
1xls ORPHAN NUCLEAR
RECEPTOR NR1I3

(Mus musculus) 		PF00104
(Hormone_recep) 		4 SER E 251
SER E 337
ALA E 335
PHE E 248
 None
None
None
TCD  E 805 (-4.3A)
 1.16A 1fxvA-1xlsE:
undetectable
1fxvB-1xlsE:
undetectable		 1fxvA-1xlsE:
24.50
1fxvB-1xlsE:
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.
2b5y YKUV PROTEIN

(Bacillus
subtilis) 		PF00578
(AhpC-TSA) 		4 PHE A  36
SER A  38
PHE A 106
ALA A 113
 None
 1.18A 1fxvA-2b5yA:
undetectable
1fxvB-2b5yA:
undetectable		 1fxvA-2b5yA:
20.00
1fxvB-2b5yA:
13.15
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		4 MET A  54
SER A   7
ALA A  40
PHE A  98
 None
 1.08A 1fxvA-2dutA:
undetectable
1fxvB-2dutA:
undetectable		 1fxvA-2dutA:
19.71
1fxvB-2dutA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		4 SER A 593
PHE A 580
ALA A 244
PHE A 242
 None
 1.14A 1fxvA-2et6A:
undetectable
1fxvB-2et6A:
undetectable		 1fxvA-2et6A:
16.67
1fxvB-2et6A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n3e MAJOR AMPULLATE
SPIDROIN 1

(Latrodectus
hesperus) 		PF16763
(Spidroin_N) 		4 SER A  73
PHE A  70
ALA A  75
PHE A 122
 None
 1.11A 1fxvA-2n3eA:
undetectable
1fxvB-2n3eA:
undetectable		 1fxvA-2n3eA:
22.17
1fxvB-2n3eA:
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.
2n8y ALPHA-ACTININ-1

(Homo sapiens) 		PF00036
(EF-hand_1)
PF08726
(EFhand_Ca_insen) 		4 PHE A 771
SER A 754
PHE A 792
ALA A 773
 None
 1.22A 1fxvA-2n8yA:
undetectable
1fxvB-2n8yA:
undetectable		 1fxvA-2n8yA:
21.13
1fxvB-2n8yA:
15.90
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 PHE A 655
PHE A 855
ALA A 654
PHE A 903
 None
None
None
MPD  A1706 ( 4.2A)
 1.19A 1fxvA-2obeA:
undetectable
1fxvB-2obeA:
undetectable		 1fxvA-2obeA:
12.45
1fxvB-2obeA:
21.00
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.
2ocx NODULATION
FUCOSYLTRANSFERASE
NODZ

(Bradyrhizobium
sp. WM9) 		PF05830
(NodZ) 		4 PHE A  58
SER A  43
PHE A  15
ALA A  53
 None
 1.13A 1fxvA-2ocxA:
undetectable
1fxvB-2ocxA:
undetectable		 1fxvA-2ocxA:
20.07
1fxvB-2ocxA:
17.94
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		4 PHE A 181
SER A 188
ALA A  54
PHE A 286
 None
 1.18A 1fxvA-2psfA:
undetectable
1fxvB-2psfA:
undetectable		 1fxvA-2psfA:
22.33
1fxvB-2psfA:
18.33
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 MET A 243
SER A 197
PHE A 208
ALA A 228
 None
 1.23A 1fxvA-2pt6A:
undetectable
1fxvB-2pt6A:
undetectable		 1fxvA-2pt6A:
20.86
1fxvB-2pt6A:
20.23
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		4 PHE A  67
SER A 355
SER A 348
ALA A 351
 None
 1.10A 1fxvA-2ww9A:
undetectable
1fxvB-2ww9A:
1.0		 1fxvA-2ww9A:
17.50
1fxvB-2ww9A:
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 MET A  45
SER A  91
PHE A  75
ALA A  52
 None
 1.00A 1fxvA-2x3kA:
undetectable
1fxvB-2x3kA:
2.0		 1fxvA-2x3kA:
15.65
1fxvB-2x3kA:
23.01
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.
2xty QNRB1

(Klebsiella
pneumoniae) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		4 PHE A  56
SER A  79
ALA A  94
PHE A  96
 None
 1.16A 1fxvA-2xtyA:
undetectable
1fxvB-2xtyA:
undetectable		 1fxvA-2xtyA:
20.50
1fxvB-2xtyA:
16.01
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.
2ywn PEROXIREDOXIN-LIKE
PROTEIN

(Sulfurisphaera
tokodaii) 		PF00578
(AhpC-TSA) 		4 PHE A  40
SER A  69
PHE A  79
ALA A  38
 None
 1.17A 1fxvA-2ywnA:
undetectable
1fxvB-2ywnA:
undetectable		 1fxvA-2ywnA:
19.91
1fxvB-2ywnA:
13.59
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 SER A 206
PHE A  88
ALA A 203
PHE A 201
 None
 1.22A 1fxvA-3asaA:
undetectable
1fxvB-3asaA:
undetectable		 1fxvA-3asaA:
18.70
1fxvB-3asaA:
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.
3byr CZRB PROTEIN

(Thermus
thermophilus) 		PF16916
(ZT_dimer) 		4 PHE A  74
SER A  42
PHE A  18
ALA A  71
 None
 1.17A 1fxvA-3byrA:
undetectable
1fxvB-3byrA:
undetectable		 1fxvA-3byrA:
20.87
1fxvB-3byrA:
10.92
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 PHE A 108
SER A  86
ALA A 110
PHE A  90
 None
 0.97A 1fxvA-3e0lA:
undetectable
1fxvB-3e0lA:
undetectable		 1fxvA-3e0lA:
17.03
1fxvB-3e0lA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		4 PHE A  60
SER A  32
PHE A  28
ALA A  37
 None
 1.14A 1fxvA-3en0A:
undetectable
1fxvB-3en0A:
undetectable		 1fxvA-3en0A:
22.26
1fxvB-3en0A:
19.82
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.
3hbc CHOLOYLGLYCINE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF02275
(CBAH) 		4 PHE A 105
SER A 200
SER A 277
ALA A  25
 None
 1.12A 1fxvA-3hbcA:
undetectable
1fxvB-3hbcA:
12.8		 1fxvA-3hbcA:
22.60
1fxvB-3hbcA:
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.
3i10 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Bacteroides
thetaiotaomicron) 		PF03009
(GDPD)
PF16387
(DUF4996) 		4 SER A 242
PHE A 219
ALA A 217
PHE A  33
 None
 1.24A 1fxvA-3i10A:
undetectable
1fxvB-3i10A:
undetectable		 1fxvA-3i10A:
22.64
1fxvB-3i10A:
21.02
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 4 SER A 375
PHE A 409
ALA A 379
PHE A  88
 None
 1.24A 1fxvA-3ihmA:
undetectable
1fxvB-3ihmA:
undetectable		 1fxvA-3ihmA:
20.47
1fxvB-3ihmA:
22.20
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 PHE A 224
SER A 232
ALA A 227
PHE A 312
 None
 1.00A 1fxvA-3il4A:
undetectable
1fxvB-3il4A:
undetectable		 1fxvA-3il4A:
21.23
1fxvB-3il4A:
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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 SER A 120
SER A  86
PHE A  82
PHE A 117
 None
 1.17A 1fxvA-3js4A:
undetectable
1fxvB-3js4A:
undetectable		 1fxvA-3js4A:
23.36
1fxvB-3js4A:
16.01
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.
3jvg T-CELL SURFACE
GLYCOPROTEIN CD1A1
ANTIGEN

(Gallus gallus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		4 MET A 145
SER A 138
SER A  94
PHE A 110
 UNL  A 283 (-3.6A)
None
None
UNL  A   1 (-4.6A)
 1.15A 1fxvA-3jvgA:
undetectable
1fxvB-3jvgA:
undetectable		 1fxvA-3jvgA:
18.75
1fxvB-3jvgA:
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 PHE A 129
SER A 122
PHE A 217
PHE A  30
 None
 1.24A 1fxvA-3kt4A:
undetectable
1fxvB-3kt4A:
undetectable		 1fxvA-3kt4A:
17.02
1fxvB-3kt4A:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 MET A 143
SER B   1
PHE B  24
ALA B  69
 None
 0.50A 1fxvA-3ml0A:
22.2
1fxvB-3ml0A:
undetectable		 1fxvA-3ml0A:
46.01
1fxvB-3ml0A:
16.76
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		4 MET B 333
SER B 297
PHE B 238
ALA B 307
 None
 1.19A 1fxvA-3nvnB:
undetectable
1fxvB-3nvnB:
undetectable		 1fxvA-3nvnB:
17.83
1fxvB-3nvnB:
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.
3pr4 DNA POLYMERASE IV

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		4 SER A 315
PHE A 266
ALA A 311
PHE A 337
 None
 1.17A 1fxvA-3pr4A:
undetectable
1fxvB-3pr4A:
2.1		 1fxvA-3pr4A:
18.55
1fxvB-3pr4A:
18.33
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.
3pwz SHIKIMATE
DEHYDROGENASE 3

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 SER A  77
PHE A  91
ALA A  88
PHE A 101
 None
 1.17A 1fxvA-3pwzA:
undetectable
1fxvB-3pwzA:
undetectable		 1fxvA-3pwzA:
23.31
1fxvB-3pwzA:
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.
3s6p CAPSID PROTEIN
CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus;
Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21)
PF03566
(Peptidase_A21) 		4 SER A 107
SER E 589
ALA E 585
PHE A  96
 None
 1.22A 1fxvA-3s6pA:
undetectable
1fxvB-3s6pA:
undetectable		 1fxvA-3s6pA:
18.20
1fxvB-3s6pA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 235
PHE A 272
ALA A 237
PHE A 199
 None
 0.96A 1fxvA-3simA:
undetectable
1fxvB-3simA:
undetectable		 1fxvA-3simA:
22.22
1fxvB-3simA:
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.
3t6g BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 1

(Homo sapiens) 		PF12026
(DUF3513) 		4 SER B 782
SER B 839
ALA B 843
PHE B 778
 None
 1.17A 1fxvA-3t6gB:
undetectable
1fxvB-3t6gB:
undetectable		 1fxvA-3t6gB:
23.24
1fxvB-3t6gB:
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		4 PHE A 168
SER A 155
ALA A 167
PHE A 151
 None
 1.02A 1fxvA-3wajA:
1.7
1fxvB-3wajA:
undetectable		 1fxvA-3wajA:
13.32
1fxvB-3wajA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wec CYTOCHROME P450

(Rhodococcus
erythropolis) 		PF00067
(p450) 		4 SER A  42
SER A  71
PHE A  74
ALA A 323
 None
 0.99A 1fxvA-3wecA:
undetectable
1fxvB-3wecA:
undetectable		 1fxvA-3wecA:
19.05
1fxvB-3wecA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wov OLIGOSACCHARYL
TRANSFERASE

(Pyrococcus
abyssi) 		no annotation 4 SER A 693
PHE A 682
ALA A 699
PHE A 695
 None
 1.12A 1fxvA-3wovA:
undetectable
1fxvB-3wovA:
undetectable		 1fxvA-3wovA:
19.60
1fxvB-3wovA:
22.20
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		4 SER A 340
SER A 235
ALA A 231
PHE A 348
 CL  A 506 ( 4.1A)
None
None
None
 1.09A 1fxvA-3zx2A:
undetectable
1fxvB-3zx2A:
undetectable		 1fxvA-3zx2A:
18.14
1fxvB-3zx2A:
21.03
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 PHE A 390
PHE A 427
ALA A 392
PHE A 539
 None
 0.98A 1fxvA-3zxlA:
undetectable
1fxvB-3zxlA:
undetectable		 1fxvA-3zxlA:
16.87
1fxvB-3zxlA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 PHE A 273
SER A 265
SER A 280
ALA A 276
 None
 1.18A 1fxvA-4a5gA:
undetectable
1fxvB-4a5gA:
undetectable		 1fxvA-4a5gA:
20.68
1fxvB-4a5gA:
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 PHE A 430
SER A 372
ALA A 431
PHE A 508
 None
 1.21A 1fxvA-4av6A:
undetectable
1fxvB-4av6A:
1.6		 1fxvA-4av6A:
15.07
1fxvB-4av6A:
21.30
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		4 MET A  29
PHE A  28
SER A  23
PHE A  92
 None
 1.14A 1fxvA-4ayjA:
undetectable
1fxvB-4ayjA:
undetectable		 1fxvA-4ayjA:
22.31
1fxvB-4ayjA:
17.94
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.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		4 SER A 166
SER A  63
PHE A  65
PHE A 168
 None
 0.93A 1fxvA-4b6gA:
undetectable
1fxvB-4b6gA:
undetectable		 1fxvA-4b6gA:
21.68
1fxvB-4b6gA:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 PHE B1698
SER B1744
SER B1703
ALA B1700
 None
 1.14A 1fxvA-4bedB:
undetectable
1fxvB-4bedB:
undetectable		 1fxvA-4bedB:
8.44
1fxvB-4bedB:
14.54
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PHE A 133
SER A 140
PHE A 299
ALA A 124
 None
 1.17A 1fxvA-4e1oA:
undetectable
1fxvB-4e1oA:
undetectable		 1fxvA-4e1oA:
20.28
1fxvB-4e1oA:
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.
4eqa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 147
SER A  15
PHE A  33
ALA A  11
 None
 1.20A 1fxvA-4eqaA:
undetectable
1fxvB-4eqaA:
undetectable		 1fxvA-4eqaA:
20.98
1fxvB-4eqaA:
14.83
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		4 SER A 316
PHE A 267
ALA A 312
PHE A 338
 None
 1.17A 1fxvA-4f4wA:
undetectable
1fxvB-4f4wA:
2.1		 1fxvA-4f4wA:
21.98
1fxvB-4f4wA:
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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 PHE A 306
SER A 172
SER A 242
PHE A 304
 None
 1.15A 1fxvA-4frxA:
undetectable
1fxvB-4frxA:
0.9		 1fxvA-4frxA:
20.05
1fxvB-4frxA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 104
SER A  90
PHE A  92
ALA A  83
 None
 1.07A 1fxvA-4gi2A:
undetectable
1fxvB-4gi2A:
undetectable		 1fxvA-4gi2A:
19.19
1fxvB-4gi2A:
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.
4h5u PROBABLE HYDROLASE
NIT2

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 MET A 221
SER A  89
SER A 178
ALA A 167
 None
 1.17A 1fxvA-4h5uA:
undetectable
1fxvB-4h5uA:
undetectable		 1fxvA-4h5uA:
20.81
1fxvB-4h5uA:
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.
4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I

(Bacillus
subtilis) 		PF13424
(TPR_12) 		4 SER A 257
SER A 226
ALA A 224
PHE A 254
 None
 1.10A 1fxvA-4i1aA:
undetectable
1fxvB-4i1aA:
undetectable		 1fxvA-4i1aA:
18.58
1fxvB-4i1aA:
19.69
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		4 SER A 659
SER A 669
PHE A 603
ALA A 593
 None
 1.23A 1fxvA-4i2wA:
undetectable
1fxvB-4i2wA:
undetectable		 1fxvA-4i2wA:
12.90
1fxvB-4i2wA:
19.84
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 SER A  95
PHE A 222
ALA A 195
PHE A 193
 None
None
ZN  A 401 ( 4.7A)
None
 1.11A 1fxvA-4lanA:
undetectable
1fxvB-4lanA:
undetectable		 1fxvA-4lanA:
19.74
1fxvB-4lanA:
21.31
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.
4lim DNA PRIMASE SMALL
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01896
(DNA_primase_S) 		4 PHE A 329
PHE A 379
ALA A 327
PHE A  80
 None
 1.08A 1fxvA-4limA:
undetectable
1fxvB-4limA:
undetectable		 1fxvA-4limA:
21.07
1fxvB-4limA:
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.
4mmh HEPARINASE III
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 PHE A 256
SER A 262
SER A 223
PHE A 220
 None
 1.23A 1fxvA-4mmhA:
undetectable
1fxvB-4mmhA:
2.1		 1fxvA-4mmhA:
18.30
1fxvB-4mmhA:
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.
4nsd CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		4 PHE A 211
SER A 205
PHE A 282
ALA A 277
 None
 1.04A 1fxvA-4nsdA:
undetectable
1fxvB-4nsdA:
undetectable		 1fxvA-4nsdA:
21.37
1fxvB-4nsdA:
23.43
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.
4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 MET A 260
PHE A  48
PHE A  31
ALA A  44
 None
 1.23A 1fxvA-4o94A:
undetectable
1fxvB-4o94A:
2.3		 1fxvA-4o94A:
23.21
1fxvB-4o94A:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 MET A 142
SER A 149
PHE B  24
ALA B  69
PHE B  71
 None
 0.54A 1fxvA-4pelA:
25.6
1fxvB-4pelA:
undetectable		 1fxvA-4pelA:
72.34
1fxvB-4pelA:
17.70
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		4 SER A 397
SER A 306
ALA A 392
PHE A 387
 None
 1.21A 1fxvA-4pucA:
undetectable
1fxvB-4pucA:
undetectable		 1fxvA-4pucA:
19.10
1fxvB-4pucA:
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		4 PHE A 105
SER A 239
PHE A  84
ALA A 294
 None
 1.20A 1fxvA-4q76A:
undetectable
1fxvB-4q76A:
undetectable		 1fxvA-4q76A:
19.10
1fxvB-4q76A:
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.
4rg6 CELL DIVISION CYCLE
PROTEIN 27 HOMOLOG

(Homo sapiens) 		PF00515
(TPR_1)
PF12895
(ANAPC3)
PF13181
(TPR_8) 		4 PHE A 720
SER A 675
ALA A 716
PHE A 713
 None
 1.09A 1fxvA-4rg6A:
undetectable
1fxvB-4rg6A:
undetectable		 1fxvA-4rg6A:
16.42
1fxvB-4rg6A:
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		4 PHE A 276
SER A  59
PHE A 361
ALA A 279
 None
ASC  A 501 ( 4.9A)
None
None
 1.13A 1fxvA-4rp8A:
0.9
1fxvB-4rp8A:
1.2		 1fxvA-4rp8A:
18.67
1fxvB-4rp8A:
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		4 SER A 447
PHE A 291
ALA A 443
PHE A 440
 None
 1.13A 1fxvA-4s13A:
undetectable
1fxvB-4s13A:
undetectable		 1fxvA-4s13A:
17.60
1fxvB-4s13A:
21.14
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 PHE A3268
SER A3304
ALA A3300
PHE A3232
 None
 1.01A 1fxvA-4tktA:
undetectable
1fxvB-4tktA:
undetectable		 1fxvA-4tktA:
15.11
1fxvB-4tktA:
23.83
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 SER A 205
PHE A 133
ALA A 156
PHE A 178
 None
 0.99A 1fxvA-4tz5A:
undetectable
1fxvB-4tz5A:
undetectable		 1fxvA-4tz5A:
15.45
1fxvB-4tz5A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzs SIMILARITY TO
HELICASE MOT1

(Encephalitozoon
cuniculi) 		no annotation 4 PHE C 588
SER C 498
PHE C 566
PHE C 469
 None
 1.10A 1fxvA-4wzsC:
undetectable
1fxvB-4wzsC:
undetectable		 1fxvA-4wzsC:
14.92
1fxvB-4wzsC:
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.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		4 PHE A 118
SER A 114
ALA A 195
PHE A 171
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.2A)
SAH  A 301 ( 4.0A)
SAH  A 301 (-3.2A)
 0.99A 1fxvA-4x81A:
undetectable
1fxvB-4x81A:
undetectable		 1fxvA-4x81A:
21.15
1fxvB-4x81A:
18.33
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.
4yl0 PROSTAGLANDIN E
SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		4 PHE A  16
SER A  10
PHE A  82
ALA A  99
 None
 1.18A 1fxvA-4yl0A:
undetectable
1fxvB-4yl0A:
undetectable		 1fxvA-4yl0A:
22.39
1fxvB-4yl0A:
14.66
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		4 SER A 457
PHE A 295
ALA A 453
PHE A 450
 None
 1.24A 1fxvA-4zadA:
undetectable
1fxvB-4zadA:
undetectable		 1fxvA-4zadA:
17.10
1fxvB-4zadA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 PHE A 461
SER A1289
PHE A 477
ALA A 512
 None
 1.19A 1fxvA-4zhjA:
undetectable
1fxvB-4zhjA:
undetectable		 1fxvA-4zhjA:
9.68
1fxvB-4zhjA:
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 MET A1564
SER A1732
PHE A1596
ALA A1623
 None
 1.22A 1fxvA-5cslA:
undetectable
1fxvB-5cslA:
undetectable		 1fxvA-5cslA:
7.37
1fxvB-5cslA:
13.93
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 SER A 300
SER A 333
PHE A 338
ALA A 331
 None
 1.24A 1fxvA-5f7sA:
undetectable
1fxvB-5f7sA:
undetectable		 1fxvA-5f7sA:
15.06
1fxvB-5f7sA:
20.77
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 701
SER A 207
PHE A 202
ALA A 385
PHE A 389
 None
 1.25A 1fxvA-5favA:
undetectable
1fxvB-5favA:
undetectable		 1fxvA-5favA:
12.93
1fxvB-5favA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 SER 1 381
SER 1 450
ALA 1 399
PHE 1 484
 None
 1.23A 1fxvA-5fmf1:
undetectable
1fxvB-5fmf1:
undetectable		 1fxvA-5fmf1:
17.15
1fxvB-5fmf1:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		4 PHE A 227
SER A 231
PHE A 238
ALA A 291
 None
 1.24A 1fxvA-5g5zA:
undetectable
1fxvB-5g5zA:
undetectable		 1fxvA-5g5zA:
17.72
1fxvB-5g5zA:
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 PHE A  69
SER A  71
PHE A 123
PHE A 101
 None
 1.05A 1fxvA-5h05A:
undetectable
1fxvB-5h05A:
undetectable		 1fxvA-5h05A:
15.42
1fxvB-5h05A:
23.42
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 MET A1609
SER A1772
PHE A1641
ALA A1668
 None
 1.23A 1fxvA-5i6hA:
undetectable
1fxvB-5i6hA:
undetectable		 1fxvA-5i6hA:
9.26
1fxvB-5i6hA:
16.73
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 PHE A 136
SER A 357
SER A 364
ALA A 139
 None
 1.13A 1fxvA-5jm7A:
undetectable
1fxvB-5jm7A:
undetectable		 1fxvA-5jm7A:
16.39
1fxvB-5jm7A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 PHE A  64
SER A 187
ALA A 221
PHE A 401
 None
ASN  A 501 (-2.9A)
ASN  A 501 (-4.1A)
None
 1.19A 1fxvA-5k66A:
undetectable
1fxvB-5k66A:
undetectable		 1fxvA-5k66A:
17.48
1fxvB-5k66A:
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 4 PHE A  89
SER A 153
PHE A  91
ALA A 157
 None
 1.01A 1fxvA-5lj6A:
undetectable
1fxvB-5lj6A:
undetectable		 1fxvA-5lj6A:
15.71
1fxvB-5lj6A:
20.77
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 MET 1 468
SER 1 363
PHE 1 476
ALA 1 359
 None
 1.11A 1fxvA-5mz61:
undetectable
1fxvB-5mz61:
undetectable		 1fxvA-5mz61:
10.86
1fxvB-5mz61:
18.98
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.
5nd7 KINESIN-LIKE PROTEIN
KIF20A

(Mus musculus) 		PF00225
(Kinesin) 		4 SER C 163
SER C 500
PHE C 120
ALA C 496
 ANP  C 602 (-3.6A)
None
None
None
 0.89A 1fxvA-5nd7C:
undetectable
1fxvB-5nd7C:
undetectable		 1fxvA-5nd7C:
18.09
1fxvB-5nd7C:
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.
5oie -

(-) 		no annotation 4 PHE A 324
PHE A 349
ALA A 322
PHE A 254
 None
 1.19A 1fxvA-5oieA:
undetectable
1fxvB-5oieA:
undetectable		 1fxvA-5oieA:
undetectable
1fxvB-5oieA:
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		4 PHE A 183
SER A 186
SER A  55
PHE A 141
 None
 1.17A 1fxvA-5visA:
undetectable
1fxvB-5visA:
undetectable		 1fxvA-5visA:
23.79
1fxvB-5visA:
20.11
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 4 PHE A 248
SER A 232
SER A  22
PHE A  14
 9WY  A 501 (-3.4A)
9WY  A 501 (-3.6A)
RBF  A 502 (-3.8A)
RBF  A 502 (-3.6A)
 1.14A 1fxvA-5w4zA:
undetectable
1fxvB-5w4zA:
undetectable		 1fxvA-5w4zA:
undetectable
1fxvB-5w4zA:
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.
5w93 BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 1

(Mus musculus) 		PF12026
(DUF3513) 		4 SER A 786
SER A 843
ALA A 847
PHE A 782
 None
 1.11A 1fxvA-5w93A:
undetectable
1fxvB-5w93A:
undetectable		 1fxvA-5w93A:
20.60
1fxvB-5w93A:
14.66
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 PHE A 565
SER A 560
PHE A 671
ALA A 563
 None
 1.21A 1fxvA-5xdrA:
undetectable
1fxvB-5xdrA:
undetectable		 1fxvA-5xdrA:
15.70
1fxvB-5xdrA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwz UNPLACED GENOMIC
SCAFFOLD
SUPERCONT1.36, WHOLE
GENOME SHOTGUN
SEQUENCE

(Cladophialophora
bantiana) 		no annotation 4 MET A 160
PHE A 242
SER A 248
PHE A 222
 MLI  A 302 ( 4.3A)
None
None
None
 1.14A 1fxvA-5xwzA:
undetectable
1fxvB-5xwzA:
undetectable		 1fxvA-5xwzA:
undetectable
1fxvB-5xwzA:
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 4 MET A 228
PHE A 238
PHE A 283
PHE A 186
 None
 1.21A 1fxvA-6byxA:
undetectable
1fxvB-6byxA:
undetectable		 1fxvA-6byxA:
undetectable
1fxvB-6byxA:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A 576
SER A 615
SER A 598
ALA A 569
 None
 1.20A 1fxvA-6emkA:
undetectable
1fxvB-6emkA:
undetectable		 1fxvA-6emkA:
undetectable
1fxvB-6emkA:
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 PHE A 190
SER A 192
PHE A 162
ALA A 188
 None
 1.17A 1fxvA-6ewjA:
undetectable
1fxvB-6ewjA:
undetectable		 1fxvA-6ewjA:
undetectable
1fxvB-6ewjA:
undetectable