SIMILAR PATTERNS OF AMINO ACIDS FOR 1YA3_B_STRB2001_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.
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA

(Homo sapiens) 		PF00042
(Globin) 		5 LEU A  81
ALA A 135
SER A 129
LEU A 130
LEU A   3
 None
 1.25A 1ya3B-1ch4A:
1.0		 1ya3B-1ch4A:
24.23
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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		5 LEU A 141
ALA A 171
LEU A 270
LEU A 295
THR A 136
 AKG  A 326 (-4.7A)
None
None
None
None
 1.34A 1ya3B-1drtA:
undetectable		 1ya3B-1drtA:
20.82
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.
1emu AXIN

(Homo sapiens) 		PF00615
(RGS) 		5 LEU A 151
ALA A 157
ARG A 162
MET A 230
LEU A 130
 None
 1.46A 1ya3B-1emuA:
undetectable		 1ya3B-1emuA:
23.15
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.
1f2e GLUTATHIONE
S-TRANSFERASE

(Sphingomonas
paucimobilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  44
ASN A  47
ALA A  54
SER A   6
LEU A  32
 None
None
None
None
GSH  A 210 ( 3.9A)
 1.43A 1ya3B-1f2eA:
0.2		 1ya3B-1f2eA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		5 LEU A 124
SER A 182
LEU A 186
LEU A 161
THR A  55
 None
 1.40A 1ya3B-1h65A:
undetectable		 1ya3B-1h65A:
21.77
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 LEU A 208
ASN A 195
ALA A  27
GLN A  28
ARG A 246
 None
NAG  A 801 (-1.9A)
None
None
None
 1.44A 1ya3B-1rj6A:
undetectable		 1ya3B-1rj6A:
20.76
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 LEU A  62
ALA A 218
GLN A 219
MET A 174
THR A 225
 None
 1.33A 1ya3B-1s6rA:
undetectable		 1ya3B-1s6rA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 334
ALA A 327
GLN A 323
LEU A 309
LEU A 133
 None
 1.48A 1ya3B-1uouA:
undetectable		 1ya3B-1uouA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 LEU A 472
ASN A 469
ALA A 497
LEU A  97
THR A 519
 None
 1.24A 1ya3B-1x87A:
undetectable		 1ya3B-1x87A:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 701
ASN A 705
GLN A 711
MET A 742
ARG A 752
MET A 780
LEU A 873
 None
BHM  A   1 (-3.6A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-4.4A)
 0.81A 1ya3B-2ax9A:
35.0		 1ya3B-2ax9A:
51.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0n PRECORRIN-2
C20-METHYLTRANSFERAS
E

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A 230
ALA A 139
MET A 145
SER A 239
LEU A 241
 None
 1.45A 1ya3B-2e0nA:
undetectable		 1ya3B-2e0nA:
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.
2fv2 RCD1 REQUIRED FOR
CELL
DIFFERENTIATION1
HOMOLOG

(Homo sapiens) 		PF04078
(Rcd1) 		5 ASN A  76
ALA A  79
SER A 123
LEU A 103
LEU A 119
 None
 1.17A 1ya3B-2fv2A:
undetectable		 1ya3B-2fv2A:
23.16
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A  25
ALA A 608
LEU A 285
MET A  44
LEU A  50
 None
 1.38A 1ya3B-2hpiA:
undetectable		 1ya3B-2hpiA:
11.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 LEU A 127
ALA A  74
LEU A  24
ARG A  20
LEU A 109
 None
 1.40A 1ya3B-2id3A:
undetectable		 1ya3B-2id3A:
19.48
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.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 169
ALA A 137
SER A 250
MET A 171
LEU A 222
 None
None
None
SRT  A 401 ( 4.9A)
None
 1.43A 1ya3B-2jbmA:
undetectable		 1ya3B-2jbmA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 114
ALA A 285
GLN A 288
LEU A 427
THR A 302
 None
 1.38A 1ya3B-2jjfA:
undetectable		 1ya3B-2jjfA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2myj ACID STRESS
CHAPERONE HDEB

(Escherichia
coli) 		PF06411
(HdeA) 		5 ASN A  71
ALA A  73
GLN A  50
MET A  28
LEU A  66
 None
 1.50A 1ya3B-2myjA:
undetectable		 1ya3B-2myjA:
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 663
ASN A 233
ALA A 236
LEU A 356
LEU A 256
 None
 1.28A 1ya3B-2nyaA:
undetectable		 1ya3B-2nyaA:
13.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		11 LEU A  29
ASN A  33
ALA A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
CYH A 205
THR A 208
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 0.50A 1ya3B-2q3yA:
37.1		 1ya3B-2q3yA:
72.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 LEU A  29
ASN A  33
LEU A  90
LEU A 201
CYH A 205
THR A 208
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
None
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 1.30A 1ya3B-2q3yA:
37.1		 1ya3B-2q3yA:
72.55
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.
2vec PIRIN-LIKE PROTEIN
YHAK

(Escherichia
coli) 		PF02678
(Pirin) 		5 LEU A 135
GLN A 131
SER A 145
LEU A 155
LEU A 142
 None
 1.19A 1ya3B-2vecA:
undetectable		 1ya3B-2vecA:
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		5 ASN A 178
ALA A 179
GLN A 183
ARG A 189
LEU A  90
 None
 1.45A 1ya3B-2z3tA:
undetectable		 1ya3B-2z3tA:
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.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 283
ASN A 286
ALA A 289
LEU A 471
LEU A 405
 None
 1.46A 1ya3B-3a74A:
undetectable		 1ya3B-3a74A:
18.06
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.
3bn3 INTERCELLULAR
ADHESION MOLECULE 5

(Homo sapiens) 		PF03921
(ICAM_N) 		5 LEU B  40
LEU B  52
ARG B  47
LEU B   7
THR B  64
 None
 1.31A 1ya3B-3bn3B:
undetectable		 1ya3B-3bn3B:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 LEU A 253
SER A 216
LEU A 220
LEU A 235
THR A 258
 None
CIT  A 402 (-4.0A)
None
None
None
 1.40A 1ya3B-3c9hA:
undetectable		 1ya3B-3c9hA:
21.68
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.
3ce2 PUTATIVE PEPTIDASE

(Chlamydia
abortus) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		5 MET A 442
SER A 338
LEU A 339
LEU A 334
THR A 391
 None
 1.48A 1ya3B-3ce2A:
undetectable		 1ya3B-3ce2A:
18.46
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		5 LEU A 164
ALA A 168
LEU A 204
ARG A  26
MET A  90
 None
 1.39A 1ya3B-3dmpA:
undetectable		 1ya3B-3dmpA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		5 MET A1403
SER A 233
LEU A 234
LEU A1431
CYH A1451
 None
 1.43A 1ya3B-3eujA:
undetectable		 1ya3B-3eujA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  64
ALA A  17
SER A  30
LEU A   6
THR A  89
 None
 1.36A 1ya3B-3hn7A:
undetectable		 1ya3B-3hn7A:
20.16
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 LEU A 197
ASN A 201
ALA A 202
MET A  57
LEU A 135
 None
 1.34A 1ya3B-3irvA:
undetectable		 1ya3B-3irvA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLN A 725
MET A 756
LEU A 763
ARG A 766
LEU A 887
CYH A 891
 WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
 0.69A 1ya3B-3kbaA:
34.8		 1ya3B-3kbaA:
54.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 715
ASN A 719
LEU A 776
CYH A 891
THR A 894
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
None
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 1.34A 1ya3B-3kbaA:
34.8		 1ya3B-3kbaA:
54.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 715
ASN A 719
MET A 756
LEU A 763
ARG A 766
LEU A 887
CYH A 891
THR A 894
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.44A 1ya3B-3kbaA:
34.8		 1ya3B-3kbaA:
54.90
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 LEU F  66
ALA F 168
GLN F 167
LEU F 163
LEU F 107
 None
 1.29A 1ya3B-3kfuF:
undetectable		 1ya3B-3kfuF:
19.03
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.
3lou FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Burkholderia
mallei) 		PF00551
(Formyl_trans_N) 		5 ALA A  24
LEU A  29
ARG A  32
MET A  84
LEU A  12
 None
 1.45A 1ya3B-3louA:
undetectable		 1ya3B-3louA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 242
GLN A 235
SER A 231
LEU A 230
LEU A 191
 None
 1.44A 1ya3B-3p5pA:
undetectable		 1ya3B-3p5pA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		10 LEU A  29
ASN A  33
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
CYH A 205
THR A 208
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
 0.43A 1ya3B-3ry9A:
36.9		 1ya3B-3ry9A:
69.84
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 315
SER A 318
LEU A 281
LEU A 333
THR A 140
 None
 1.46A 1ya3B-3u9iA:
undetectable		 1ya3B-3u9iA:
18.67
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1222
ALA A1122
LEU A1214
LEU A1132
THR A1138
 None
 1.33A 1ya3B-3va7A:
undetectable		 1ya3B-3va7A:
12.61
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 LEU A 177
ASN A 180
ALA A 183
MET A   1
LEU A 392
 GOL  A1404 (-3.7A)
None
None
None
None
 1.46A 1ya3B-3zlbA:
undetectable		 1ya3B-3zlbA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zsu TLL2057 PROTEIN

(Thermosynechococcus
elongatus) 		no annotation 5 LEU A  86
SER A 147
LEU A 148
LEU A 107
THR A 112
 None
 1.40A 1ya3B-3zsuA:
undetectable		 1ya3B-3zsuA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		5 ASN C 373
SER C 139
LEU C 143
MET C 164
LEU C 136
 None
 1.50A 1ya3B-4a7lC:
undetectable		 1ya3B-4a7lC:
16.93
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.
4aby DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 LEU A 396
LEU A 163
ARG A 166
MET A 409
LEU A 442
 None
 1.38A 1ya3B-4abyA:
undetectable		 1ya3B-4abyA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 LEU A  74
ALA B 308
MET B 333
LEU B 313
THR B 433
 None
NAG  A3020 ( 4.0A)
S35  A1259 ( 3.9A)
None
None
 1.45A 1ya3B-4az3A:
undetectable		 1ya3B-4az3A:
22.51
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 ASN A 139
ALA A 179
MET A 176
LEU A 166
THR A 115
 3EB  A1345 ( 4.7A)
3EB  A1345 (-2.9A)
None
None
None
 1.30A 1ya3B-4bpsA:
undetectable		 1ya3B-4bpsA:
21.90
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 ALA A 159
MET A 195
LEU A 201
ARG A 166
LEU A 235
 None
 1.26A 1ya3B-4diaA:
undetectable		 1ya3B-4diaA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffj RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBBA

(Streptococcus
pneumoniae) 		PF00926
(DHBP_synthase) 		5 LEU A  13
ALA A  40
MET A  48
LEU A  33
THR A 146
 None
 1.49A 1ya3B-4ffjA:
undetectable		 1ya3B-4ffjA:
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.
4ghl POLYMERASE COFACTOR
VP35

(Marburg
marburgvirus) 		PF02097
(Filo_VP35) 		5 LEU A 221
ALA A 264
SER A 270
LEU A 269
THR A 226
 None
 1.49A 1ya3B-4ghlA:
undetectable		 1ya3B-4ghlA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 443
ASN A  44
ALA A  39
SER A 119
LEU A 121
 None
 1.14A 1ya3B-4i7iA:
undetectable		 1ya3B-4i7iA:
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 167
ALA A 135
SER A 248
MET A 169
LEU A 220
 None
None
NCN  A 301 (-2.9A)
NCN  A 301 ( 4.6A)
None
 1.35A 1ya3B-4i9aA:
undetectable		 1ya3B-4i9aA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 SER A 198
LEU A 197
ARG A 212
MET A  19
LEU A  27
 None
None
None
FMN  A 401 (-4.0A)
None
 1.47A 1ya3B-4iqlA:
undetectable		 1ya3B-4iqlA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 LEU A 117
ALA A  30
MET A  37
LEU A 133
THR A 119
 None
 1.46A 1ya3B-4l6uA:
undetectable		 1ya3B-4l6uA:
21.70
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.
4lnz UNCONVENTIONAL
MYOSIN-VB

(Homo sapiens) 		PF01843
(DIL) 		5 LEU A1778
ASN A1777
SER A1768
LEU A1767
LEU A1810
 None
 1.35A 1ya3B-4lnzA:
undetectable		 1ya3B-4lnzA:
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 LEU A  11
ALA A 175
LEU A 265
LEU A  56
THR A  63
 None
 1.34A 1ya3B-4lq0A:
undetectable		 1ya3B-4lq0A:
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASN A  56
LEU A 260
MET A  90
LEU A 253
THR A  31
 None
 1.25A 1ya3B-4mniA:
undetectable		 1ya3B-4mniA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 280
ALA A 287
MET A 321
ARG A 331
MET A 358
 None
 0.93A 1ya3B-4n1yA:
27.7		 1ya3B-4n1yA:
27.96
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.
4oc8 RESTRICTION
ENDONUCLEASE ASPBHI

(Azoarcus sp.
BH72) 		PF04471
(Mrr_cat) 		5 LEU A 263
ALA A 304
LEU A 321
ARG A 324
LEU A 356
 None
 1.29A 1ya3B-4oc8A:
undetectable		 1ya3B-4oc8A:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 564
GLN A 570
MET A 601
LEU A 608
ARG A 611
LEU A 732
CYH A 736
THR A 739
 MOF  A 801 (-3.0A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
 0.39A 1ya3B-4p6wA:
33.5		 1ya3B-4p6wA:
56.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 564
LEU A 621
LEU A 732
CYH A 736
THR A 739
 MOF  A 801 (-3.0A)
None
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
 1.35A 1ya3B-4p6wA:
33.5		 1ya3B-4p6wA:
56.47
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.
4pf6 C4-DICARBOXYLATE-BIN
DING PROTEIN

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLN A  91
LEU A 239
MET A 124
LEU A 139
THR A 130
 KDO  A 401 ( 4.6A)
None
None
None
None
 1.35A 1ya3B-4pf6A:
undetectable		 1ya3B-4pf6A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pz7 MRNA-CAPPING ENZYME
SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		5 GLN A  55
LEU A  54
LEU A 239
CYH A 225
THR A 226
 None
 1.42A 1ya3B-4pz7A:
undetectable		 1ya3B-4pz7A:
21.79
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 LEU A 270
ALA A 260
GLN A 257
LEU A 249
THR A 241
 None
 1.33A 1ya3B-4rp8A:
undetectable		 1ya3B-4rp8A:
20.41
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		5 LEU A 680
ASN A 677
ALA A 672
LEU A 667
LEU A 641
 None
 1.46A 1ya3B-4s3pA:
undetectable		 1ya3B-4s3pA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 766
ASN A 770
ALA A 773
GLN A 776
MET A 807
SER A 811
LEU A 814
ARG A 817
LEU A 938
CYH A 942
THR A 945
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
None
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 0.57A 1ya3B-4udbA:
36.8		 1ya3B-4udbA:
91.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 766
ASN A 770
LEU A 827
LEU A 938
CYH A 942
THR A 945
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 1.23A 1ya3B-4udbA:
36.8		 1ya3B-4udbA:
91.54
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 443
ASN A  44
ALA A  39
SER A 119
LEU A 121
 None
 1.28A 1ya3B-4uwaA:
undetectable		 1ya3B-4uwaA:
5.51
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		5 ASN A  86
SER A  55
LEU A  58
MET A 138
LEU A  96
 None
 1.40A 1ya3B-4z4lA:
undetectable		 1ya3B-4z4lA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlv ORNITHINE
AMINOTRANSFERASE,
MITOCHONDRIAL,
PUTATIVE

(Toxoplasma
gondii) 		PF00202
(Aminotran_3) 		5 LEU A  95
ALA A 330
GLN A  84
SER A  81
LEU A  82
 None
 1.10A 1ya3B-4zlvA:
undetectable		 1ya3B-4zlvA:
18.39
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.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 LEU A 268
MET A  34
LEU A 259
LEU A  32
THR A 286
 None
 1.18A 1ya3B-5b1hA:
undetectable		 1ya3B-5b1hA:
20.74
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.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU B  80
GLN B 151
MET B 184
ARG B  72
THR B  84
 None
 1.45A 1ya3B-5c24B:
undetectable		 1ya3B-5c24B:
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A 208
ASN A 195
ALA A  27
GLN A  28
ARG A 246
 None
NAG  A 306 (-1.8A)
None
None
None
 1.43A 1ya3B-5cjfA:
undetectable		 1ya3B-5cjfA:
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.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 LEU A 146
ALA A 194
SER A 125
ARG A 203
CYH A 141
 None
 1.38A 1ya3B-5cyfA:
undetectable		 1ya3B-5cyfA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dnl IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Pyrococcus
furiosus) 		PF00475
(IGPD) 		5 LEU A  27
ALA A  33
LEU A 155
LEU A  62
THR A  22
 None
 1.27A 1ya3B-5dnlA:
undetectable		 1ya3B-5dnlA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffq SHUY-LIKE PROTEIN

(Escherichia
coli) 		PF13460
(NAD_binding_10) 		5 ALA A  93
MET A 101
SER A  75
LEU A 103
THR A 140
 None
 1.36A 1ya3B-5ffqA:
undetectable		 1ya3B-5ffqA:
20.83
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.
5gna FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2
FLAGELLAR PROTEIN
FLIT

(Salmonella
enterica) 		PF05400
(FliT)
PF07195
(FliD_C) 		5 LEU A  41
LEU A  24
MET B 446
LEU A  78
THR B 453
 None
 1.07A 1ya3B-5gnaA:
undetectable		 1ya3B-5gnaA:
18.70
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.
5gw9 GRANULOCYTE
COLONY-STIMULATING
FACTOR

(Homo sapiens) 		PF16647
(GCSF) 		5 LEU A  85
ALA A 115
SER A 165
LEU A 162
LEU A  62
 None
 1.48A 1ya3B-5gw9A:
undetectable		 1ya3B-5gw9A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwe CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 LEU A 365
ALA A 109
GLN A 110
MET A 367
THR A  97
 None
None
GWM  A 502 (-3.4A)
None
None
 1.48A 1ya3B-5gweA:
undetectable		 1ya3B-5gweA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A 659
ALA A 576
MET A 602
LEU A 644
CYH A 628
 None
 1.43A 1ya3B-5hy7A:
undetectable		 1ya3B-5hy7A:
12.27
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1222
ALA A1122
LEU A1214
LEU A1132
THR A1138
 None
 1.32A 1ya3B-5i8iA:
undetectable		 1ya3B-5i8iA:
9.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 395
ASN A 392
ALA A 437
LEU A 586
THR A 376
 None
 1.22A 1ya3B-5im3A:
undetectable		 1ya3B-5im3A:
15.38
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 710
ALA A 732
ARG A 590
LEU A 758
THR A 714
 None
NAD  A2002 (-3.9A)
None
None
None
 1.22A 1ya3B-5kf7A:
undetectable		 1ya3B-5kf7A:
12.14
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 5 LEU A 125
ALA A 144
LEU A 194
LEU A 381
THR A 121
 None
 1.49A 1ya3B-5m3xA:
undetectable		 1ya3B-5m3xA:
18.81
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 LEU E 263
ASN E 262
LEU E 246
ARG E   2
LEU E 322
 None
 1.37A 1ya3B-5mjsE:
undetectable		 1ya3B-5mjsE:
15.98
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 LEU E 263
SER E 245
LEU E 246
ARG E   2
LEU E 322
 None
 1.45A 1ya3B-5mjsE:
undetectable		 1ya3B-5mjsE:
15.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 12 LEU A 766
ASN A 770
ALA A 773
GLN A 776
MET A 807
SER A 811
LEU A 814
ARG A 817
MET A 845
LEU A 938
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.0A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 0.52A 1ya3B-5mwpA:
38.3		 1ya3B-5mwpA:
73.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 766
ASN A 770
LEU A 827
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 1.26A 1ya3B-5mwpA:
38.3		 1ya3B-5mwpA:
73.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 7 LEU A 766
MET A 807
SER A 810
LEU A 814
ARG A 817
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.4A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 1.48A 1ya3B-5mwpA:
38.3		 1ya3B-5mwpA:
73.75
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 LEU A 283
ALA A 290
SER A 256
LEU A 257
THR A 319
 None
 1.17A 1ya3B-5n6mA:
undetectable		 1ya3B-5n6mA:
18.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 ASN A 560
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.76A 1ya3B-5uc1A:
21.7		 1ya3B-5uc1A:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 ASN A  33
GLN A  39
MET A  70
LEU A  77
ARG A  80
LEU A 201
CYH A 205
THR A 208
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 0.38A 1ya3B-5ufsA:
35.4		 1ya3B-5ufsA:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ASN A  33
LEU A  90
LEU A 201
CYH A 205
THR A 208
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 1.28A 1ya3B-5ufsA:
35.4		 1ya3B-5ufsA:
62.15
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.
5wua ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL
11,SUPERFOLDER GFP

(Mus musculus;
synthetic
construct) 		PF01007
(IRK) 		5 LEU A  80
ALA A  87
SER A 118
LEU A 122
ARG A 136
 None
 1.46A 1ya3B-5wuaA:
undetectable		 1ya3B-5wuaA:
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		5 LEU A 308
ALA A 288
SER A 218
LEU A 219
LEU A 247
 None
 1.37A 1ya3B-5x4tA:
undetectable		 1ya3B-5x4tA:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 LEU A 406
MET A 345
LEU A 364
LEU A 302
THR A 384
 None
 1.40A 1ya3B-6eotA:
undetectable		 1ya3B-6eotA:
16.67