SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2N_D_X2ND1479_1

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A  90
PHE A 325
ALA A  32
ALA A  30
LEU A  77
 None
 1.34A 2x2nD-1amyA:
undetectable		 2x2nD-1amyA:
20.69
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 ILE B 172
MET B 135
PHE B  34
ALA B  19
ALA B  15
 None
 1.21A 2x2nD-1bouB:
0.0		 2x2nD-1bouB:
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.
1brr PROTEIN
(BACTERIORHODOPSIN)

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		5 PHE A  27
ALA A  39
ALA A 228
THR A 170
LEU A 174
 None
 1.38A 2x2nD-1brrA:
0.1		 2x2nD-1brrA:
20.21
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ILE A 633
MET A 164
PHE A 331
TYR A 515
ALA A 276
 None
 1.37A 2x2nD-1g0dA:
undetectable		 2x2nD-1g0dA:
21.11
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.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		5 PHE A 259
ALA A 264
ALA A 268
LEU A 166
MET A 180
 None
 1.04A 2x2nD-1k2fA:
undetectable		 2x2nD-1k2fA:
15.81
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 ILE A 280
ALA A  88
ALA A 118
THR A 122
MET A 260
 None
 1.35A 2x2nD-1rp0A:
undetectable		 2x2nD-1rp0A:
22.42
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A  77
PHE A 573
TYR A 578
ALA A 211
LEU A 186
 None
 1.27A 2x2nD-1s5jA:
0.3		 2x2nD-1s5jA:
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 MET A  43
ALA A  55
ALA A  59
THR A  63
LEU A 111
 BRF  A1397 (-4.1A)
BRF  A1397 (-3.2A)
BRF  A1397 (-3.5A)
BRF  A1397 ( 4.7A)
None
 1.05A 2x2nD-1uuoA:
0.0		 2x2nD-1uuoA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vky S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Thermotoga
maritima) 		PF02547
(Queuosine_synth) 		5 PHE A  43
ALA A 286
ALA A 246
THR A 251
LEU A  58
 None
 1.20A 2x2nD-1vkyA:
0.0		 2x2nD-1vkyA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		7 TYR A  76
MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
None
 1.19A 2x2nD-1x8vA:
37.9		 2x2nD-1x8vA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		7 TYR A  76
PHE A  78
MET A  79
PHE A  83
ALA A 256
LEU A 321
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-4.1A)
None
 1.22A 2x2nD-1x8vA:
37.9		 2x2nD-1x8vA:
31.90
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.
1xwd FOLLICLE STIMULATING
HORMONE RECEPTOR

(Homo sapiens) 		PF01462
(LRRNT)
PF13306
(LRR_5) 		5 ILE C 185
PHE C 116
PHE C  66
ALA C  65
LEU C 108
 None
 1.33A 2x2nD-1xwdC:
undetectable		 2x2nD-1xwdC:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 PHE A 634
PHE A 639
ALA A 651
ALA A 653
LEU A 601
 HEM  A 901 ( 4.7A)
None
None
None
None
 1.27A 2x2nD-1yiqA:
undetectable		 2x2nD-1yiqA:
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 ILE A  26
PHE A  13
MET A 264
ALA A 233
THR A 158
 None
 1.33A 2x2nD-1ym5A:
undetectable		 2x2nD-1ym5A:
20.95
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ILE A 313
PHE A  51
PHE A 118
ALA A 113
ALA A 109
 None
 1.40A 2x2nD-2afbA:
undetectable		 2x2nD-2afbA:
22.09
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.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		5 ILE A 214
TYR A   9
ALA A  17
THR A  20
LEU A 130
 None
 0.91A 2x2nD-2bkxA:
undetectable		 2x2nD-2bkxA:
16.32
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.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 PHE A  29
PHE A  62
ALA A 101
LEU A  41
MET A  89
 None
 1.41A 2x2nD-2ej5A:
undetectable		 2x2nD-2ej5A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
 None
 1.28A 2x2nD-2fe8A:
undetectable		 2x2nD-2fe8A:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 ILE A 206
PHE A 184
TYR A 188
ALA A 148
THR A  65
 None
 1.38A 2x2nD-2h1nA:
undetectable		 2x2nD-2h1nA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		5 TYR A 111
ALA A 166
THR A 169
LEU A 466
MET A 445
 None
 1.36A 2x2nD-2iluA:
undetectable		 2x2nD-2iluA:
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 182
PHE A  18
ALA A  22
ALA A  74
LEU A 224
 None
 1.28A 2x2nD-2nmpA:
undetectable		 2x2nD-2nmpA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 TYR A 512
PHE A 504
ALA A 438
THR A 374
LEU A 495
 None
 1.20A 2x2nD-2o8rA:
undetectable		 2x2nD-2o8rA:
22.91
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 ILE A 218
ALA A 110
THR A 107
LEU A  58
MET A  65
 None
None
None
None
MLY  A 123 ( 4.5A)
 1.14A 2x2nD-2q7xA:
undetectable		 2x2nD-2q7xA:
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 ILE A  92
PHE A 168
ALA A 204
LEU A 181
MET A 187
 None
EDO  A 298 ( 4.9A)
None
None
None
 1.08A 2x2nD-2qhpA:
undetectable		 2x2nD-2qhpA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r09 CYTOHESIN-3

(Mus musculus) 		PF00169
(PH)
PF01369
(Sec7) 		5 PHE A 134
PHE A 140
ALA A 148
THR A 259
LEU A 158
 None
 1.39A 2x2nD-2r09A:
undetectable		 2x2nD-2r09A:
21.06
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 553
TYR A 666
PHE A 661
ALA A 482
LEU A 532
 None
 1.33A 2x2nD-2vsqA:
undetectable		 2x2nD-2vsqA:
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 553
TYR A 666
PHE A 661
ALA A 673
LEU A 532
 None
 1.27A 2x2nD-2vsqA:
undetectable		 2x2nD-2vsqA:
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ILE A 171
PHE A 589
ALA A 360
ALA A 356
THR A 352
 None
 1.06A 2x2nD-2wpgA:
undetectable		 2x2nD-2wpgA:
19.85
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 PHE A  79
ALA A 323
ALA A 327
THR A 330
MET A 137
 None
None
None
None
WSA  A1350 (-3.9A)
 1.39A 2x2nD-2yy5A:
undetectable		 2x2nD-2yy5A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 TYR A 162
PHE A 182
TYR A 160
ALA A 186
ALA A 189
 None
 1.34A 2x2nD-2z8eA:
undetectable		 2x2nD-2z8eA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ILE A 195
PHE A 306
MET A 257
ALA A 132
LEU A  43
 None
 1.31A 2x2nD-3b9eA:
undetectable		 2x2nD-3b9eA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 ILE A1225
PHE A2021
ALA A1131
LEU A1178
MET A1171
 None
 1.36A 2x2nD-3cmvA:
undetectable		 2x2nD-3cmvA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 TYR A 564
ALA A  75
ALA A  72
THR A  68
MET A 603
 None
 1.39A 2x2nD-3efmA:
undetectable		 2x2nD-3efmA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A1321
PHE A1406
ALA A1400
ALA A1396
LEU A1389
 None
 1.13A 2x2nD-3f2bA:
undetectable		 2x2nD-3f2bA:
19.31
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 MET A 308
PHE A 304
ALA A 256
THR A  97
MET A 261
 None
 1.32A 2x2nD-3h9cA:
undetectable		 2x2nD-3h9cA:
20.03
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.
3i08 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		5 PHE A1520
PHE A1501
ALA B1706
ALA B1702
THR B1698
 None
 1.30A 2x2nD-3i08A:
undetectable		 2x2nD-3i08A:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
ALA A 291
THR A 295
LEU A 356
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
None
 0.77A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.02A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 110
ALA A 291
THR A 295
LEU A 356
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.08A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		7 TYR A 103
MET A 106
TYR A 116
ALA A 287
ALA A 291
THR A 295
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.88A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
PHE A 110
THR A 295
LEU A 356
MET A 460
 None
None
VNF  A 490 ( 4.0A)
None
None
 1.10A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
THR A 295
LEU A 356
MET A 360
MET A 460
 None
VNF  A 490 ( 4.0A)
None
None
None
 0.82A 2x2nD-3kswA:
39.3		 2x2nD-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		12 ILE A  46
TYR A 102
PHE A 104
MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.65A 2x2nD-3l4dA:
37.0		 2x2nD-3l4dA:
75.97
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ILE A 232
TYR A 367
PHE A  35
ALA A 446
THR A 454
 None
 1.36A 2x2nD-3lv4A:
undetectable		 2x2nD-3lv4A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 PHE A 136
ALA A 134
ALA A 182
THR A 166
MET A 192
 None
 1.39A 2x2nD-3m4aA:
undetectable		 2x2nD-3m4aA:
19.75
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 PHE A 375
PHE A 441
ALA A 382
ALA A 384
LEU A 334
 None
 1.26A 2x2nD-3m6xA:
undetectable		 2x2nD-3m6xA:
22.62
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.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		5 PHE A 199
ALA A 294
ALA A 259
LEU A 417
MET A 240
 None
 1.27A 2x2nD-3mesA:
undetectable		 2x2nD-3mesA:
22.92
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.
3pas TETR FAMILY
TRANSCRIPTION
REGULATOR

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF16295
(TetR_C_10) 		5 PHE A 155
MET A 154
ALA A 187
ALA A 189
LEU A  80
 None
 1.35A 2x2nD-3pasA:
undetectable		 2x2nD-3pasA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 ILE A 172
ALA A 278
ALA A 280
THR A 282
LEU A 293
 None
 1.36A 2x2nD-3pg1A:
undetectable		 2x2nD-3pg1A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 ILE A 210
TYR A  47
ALA A 110
ALA A 108
THR A  96
 None
CIT  A 347 (-4.4A)
None
None
None
 1.26A 2x2nD-3qslA:
undetectable		 2x2nD-3qslA:
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 TYR A 286
PHE A 166
MET A 242
ALA A 246
LEU A 259
 None
 1.22A 2x2nD-3qtpA:
undetectable		 2x2nD-3qtpA:
22.68
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.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		5 PHE A 109
PHE A 212
ALA A 183
ALA A  43
THR A  13
 None
 1.31A 2x2nD-3rqbA:
undetectable		 2x2nD-3rqbA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sf5 UREASE ACCESSORY
PROTEIN UREF

(Helicobacter
pylori) 		PF01730
(UreF) 		5 ILE A 191
PHE A 131
TYR A 150
ALA A 168
LEU A  89
 None
 1.38A 2x2nD-3sf5A:
undetectable		 2x2nD-3sf5A:
19.29
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 168
PHE A 227
MET A 205
ALA A  36
LEU A 191
 None
None
None
MOH  A 412 ( 4.9A)
MOH  A 412 ( 4.0A)
 1.32A 2x2nD-3u0fA:
undetectable		 2x2nD-3u0fA:
23.32
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 PHE A  79
TYR A 154
ALA A 354
ALA A 352
LEU A 361
 None
 1.39A 2x2nD-3u95A:
undetectable		 2x2nD-3u95A:
24.18
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.
3wa5 TSE3-SPECIFIC
IMMUNITY PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B  42
PHE B  24
ALA B 137
ALA B 133
THR B 131
 None
 1.36A 2x2nD-3wa5B:
undetectable		 2x2nD-3wa5B:
15.37
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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ILE A 180
TYR A 229
PHE A 298
ALA A 258
THR A 260
 None
 1.39A 2x2nD-4b52A:
undetectable		 2x2nD-4b52A:
18.42
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ILE A 393
MET A 150
ALA A 270
ALA A 186
LEU A 238
 None
 1.30A 2x2nD-4c1tA:
undetectable		 2x2nD-4c1tA:
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.08A 2x2nD-4cgrA:
undetectable		 2x2nD-4cgrA:
18.11
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.
4dgw PRE-MRNA-SPLICING
FACTOR PRP9

(Saccharomyces
cerevisiae) 		PF12171
(zf-C2H2_jaz)
PF16837
(SF3A3)
PF16958
(PRP9_N) 		5 TYR A 327
PHE A 245
TYR A 324
ALA A 253
ALA A 255
 None
 1.20A 2x2nD-4dgwA:
undetectable		 2x2nD-4dgwA:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		11 ILE A  46
PHE A 105
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 None
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.71A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.96A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 TYR A 103
PHE A 105
MET A 106
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.82A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 ILE L 542
ALA L 238
ALA L 242
THR L 247
LEU L 303
 None
 1.36A 2x2nD-4heaL:
undetectable		 2x2nD-4heaL:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 ILE N   5
PHE N 185
ALA N 143
ALA N 141
LEU N 116
 None
 1.36A 2x2nD-4heaN:
undetectable		 2x2nD-4heaN:
21.33
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 ILE A 111
PHE A 220
TYR A 160
ALA A 219
LEU A 169
 None
IOD  A 305 ( 4.8A)
None
None
None
 1.30A 2x2nD-4jxjA:
undetectable		 2x2nD-4jxjA:
23.18
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 ILE A 162
PHE A 263
ALA A 267
ALA A 270
THR A 283
 None
 1.24A 2x2nD-4ky0A:
undetectable		 2x2nD-4ky0A:
23.29
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 ILE A 165
PHE A 263
ALA A 267
ALA A 270
THR A 283
 None
 1.25A 2x2nD-4ky0A:
undetectable		 2x2nD-4ky0A:
23.29
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.
4oye 425AA LONG
HYPOTHETICAL PROTON
GLUTAMATE SYMPORT
PROTEIN

(Pyrococcus
horikoshii) 		PF00375
(SDF) 		5 ILE A 160
PHE A 261
ALA A 265
ALA A 268
THR A 281
 None
 1.30A 2x2nD-4oyeA:
undetectable		 2x2nD-4oyeA:
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 ILE H 484
PHE H 573
ALA H 564
ALA H 562
MET H 769
 None
 1.34A 2x2nD-4qslH:
undetectable		 2x2nD-4qslH:
17.53
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A1758
TYR A3927
ALA A3872
THR A3843
LEU A3896
 None
 1.40A 2x2nD-4rh7A:
undetectable		 2x2nD-4rh7A:
8.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A  75
TYR A 131
TYR A 145
THR A 315
MET A 381
 None
VFV  A 580 (-4.1A)
HEM  A 540 (-4.5A)
HEM  A 540 (-3.6A)
VFV  A 600 (-3.8A)
 0.73A 2x2nD-4uhiA:
38.6		 2x2nD-4uhiA:
35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 131
TYR A 145
ALA A 311
THR A 315
MET A 381
 VFV  A 580 (-4.1A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
VFV  A 600 (-3.8A)
 0.73A 2x2nD-4uhiA:
38.6		 2x2nD-4uhiA:
35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 ILE A  62
TYR A 122
TYR A 136
ALA A 303
ALA A 307
 None
VOR  A 590 (-3.8A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
 1.18A 2x2nD-4uymA:
36.8		 2x2nD-4uymA:
32.16
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.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 TYR A 102
PHE A  15
ALA A  92
ALA A  98
THR A  52
 None
 1.32A 2x2nD-4wh3A:
undetectable		 2x2nD-4wh3A:
21.71
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 MET A 131
PHE A 108
TYR A 128
ALA A 107
ALA A 103
 None
 0.95A 2x2nD-4wlhA:
undetectable		 2x2nD-4wlhA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 MET A 131
PHE A 108
TYR A 128
ALA A 107
ALA A 103
 None
 0.99A 2x2nD-4wp0A:
undetectable		 2x2nD-4wp0A:
22.47
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.
4wvm STONUSTOXIN SUBUNIT
ALPHA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		5 ILE A 167
TYR A 226
PHE A 152
PHE A 210
ALA A 148
 None
 1.36A 2x2nD-4wvmA:
undetectable		 2x2nD-4wvmA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvm STONUSTOXIN SUBUNIT
BETA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		5 ILE B 168
TYR B 227
PHE B 153
PHE B 211
ALA B 149
 None
 1.33A 2x2nD-4wvmB:
undetectable		 2x2nD-4wvmB:
21.20
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 PHE A 280
MET A 276
PHE A 274
ALA A 141
LEU A 294
 None
NAP  A 401 (-4.9A)
None
None
None
 1.13A 2x2nD-5dp2A:
undetectable		 2x2nD-5dp2A:
23.41
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 ILE A 391
MET A 264
PHE A 155
ALA A 160
ALA A 171
 None
 1.35A 2x2nD-5dvjA:
undetectable		 2x2nD-5dvjA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 ILE A 232
PHE A 552
MET A 591
PHE A 361
ALA A 602
 A  C   4 ( 3.6A)
None
None
None
None
 1.37A 2x2nD-5e02A:
undetectable		 2x2nD-5e02A:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 235
ALA A 333
ALA A 323
LEU A 198
MET A 191
 None
 1.18A 2x2nD-5e7qA:
undetectable		 2x2nD-5e7qA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
PHE A 233
TYR A 132
LEU A 376
MET A 508
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.3A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.8A)
 1.16A 2x2nD-5fsaA:
39.6		 2x2nD-5fsaA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
PHE A 233
TYR A 132
THR A 311
LEU A 376
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.3A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
 0.82A 2x2nD-5fsaA:
39.6		 2x2nD-5fsaA:
31.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 ILE A  48
PHE A 486
ALA A 484
ALA A 324
LEU A 293
 None
 1.16A 2x2nD-5h05A:
undetectable		 2x2nD-5h05A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
PHE A 241
TYR A 140
LEU A 380
MET A 509
 VOR  A 602 ( 3.8A)
None
HEM  A 601 (-4.3A)
VOR  A 602 (-4.0A)
VOR  A 602 ( 4.2A)
 1.20A 2x2nD-5hs1A:
39.6		 2x2nD-5hs1A:
29.51
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
PHE A 241
TYR A 140
THR A 318
LEU A 380
 VOR  A 602 ( 3.8A)
None
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
 0.96A 2x2nD-5hs1A:
39.6		 2x2nD-5hs1A:
29.51
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 ILE A  71
TYR A 127
PHE A 135
LEU A 381
MET A 512
 1YN  A 602 ( 4.9A)
1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 1.12A 2x2nD-5jlcA:
39.2		 2x2nD-5jlcA:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 ILE A  71
TYR A 127
TYR A 141
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 4.9A)
1YN  A 602 ( 3.8A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.68A 2x2nD-5jlcA:
39.2		 2x2nD-5jlcA:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 242
TYR A 141
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.5A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 1.09A 2x2nD-5jlcA:
39.2		 2x2nD-5jlcA:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 126
ALA A 275
ALA A 121
THR A 118
LEU A 379
 None
 1.11A 2x2nD-5ldfA:
undetectable		 2x2nD-5ldfA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqi PROTEIN TIMELESS
HOMOLOG,PROTEIN
TIMELESS HOMOLOG

(Homo sapiens) 		PF04821
(TIMELESS) 		5 ILE A 156
PHE A 349
ALA A 387
ALA A 383
MET A 225
 None
 1.34A 2x2nD-5mqiA:
undetectable		 2x2nD-5mqiA:
23.54
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ILE A 344
PHE A 556
ALA A 477
THR A 479
LEU A 509
 None
 1.37A 2x2nD-5o0sA:
undetectable		 2x2nD-5o0sA:
18.38
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE 5 399
MET 5 552
PHE 5 554
ALA 5 686
LEU 5 663
 None
 1.23A 2x2nD-5udb5:
undetectable		 2x2nD-5udb5:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vxb PROXP-ALA

(Caulobacter
vibrioides) 		PF04073
(tRNA_edit) 		5 ILE A  67
PHE A 148
ALA A   9
ALA A   5
LEU A 132
 None
 1.39A 2x2nD-5vxbA:
undetectable		 2x2nD-5vxbA:
17.11
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 ILE A 163
PHE A1093
PHE A  24
ALA A  45
LEU A 144
 None
 1.37A 2x2nD-5xeiA:
2.0		 2x2nD-5xeiA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 10 TYR A 107
PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.17A 2x2nD-6ay4A:
45.8		 2x2nD-6ay4A:
35.77
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.
6cwr -

(-) 		no annotation 5 MET A  59
ALA A 175
ALA A 128
THR A 131
LEU A  68
 None
 1.24A 2x2nD-6cwrA:
undetectable		 2x2nD-6cwrA:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 ILE A 729
ALA A 799
ALA A 805
THR A 752
MET A 746
 None
 1.35A 2x2nD-6fa5A:
undetectable		 2x2nD-6fa5A:
11.69