SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'SEP'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 3efz 14-3-3 PROTEIN
(Cryptosporidium
parvum) 		3 / 3 ASP A 150
ARG A 153
ILE A 204
 SEP  A 265 ( 4.9A)
SEP  A 265 ( 2.9A)
SEP  A 265 ( 4.6A)
 0.82A 1a4gB-3efzA:
undetectable		 1a4gB-3efzA:
20.54
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 8 HIS A 292
GLY A 210
LEU A 264
ASP A 262
 SEP  A 165 ( 3.9A)
None
None
None
 0.66A 1aegA-3ga7A:
undetectable		 1aegA-3ga7A:
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 8 HIS A 292
GLY A 215
GLY A 210
LEU A 264
 SEP  A 165 ( 3.9A)
None
None
None
 0.66A 1aegA-3ga7A:
undetectable		 1aegA-3ga7A:
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.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.03A 1c8lA-1zefA:
undetectable		 1c8lA-1zefA:
20.34
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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 3efz 14-3-3 PROTEIN
(Cryptosporidium
parvum) 		4 / 8 GLU A 157
ARG A  79
LEU A 209
LEU A 263
 None
SEP  A 265 ( 3.2A)
None
None
 0.96A 1cmaA-3efzA:
undetectable
1cmaB-3efzA:
undetectable		 1cmaA-3efzA:
19.46
1cmaB-3efzA:
19.46
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN
(Mus
musculus;
Mus
musculus) 		4 / 6 HIS L  91
GLY H  96
TYR L  49
GLU L  55
 None
SEP  P 396 ( 3.7A)
None
None
 0.89A 1dmaB-6bb4L:
undetectable		 1dmaB-6bb4L:
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 6 GLN A 224
ASP A 150
VAL A 173
HIS A 221
 SEP  A 402 (-3.3A)
None
None
None
 1.39A 1ekjG-3vscA:
undetectable
1ekjH-3vscA:
undetectable		 1ekjG-3vscA:
19.29
1ekjH-3vscA:
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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 1p22 F-BOX/WD-REPEAT
PROTEIN 1A
(Homo
sapiens) 		4 / 5 HIS A 469
ALA A 434
SER A 448
HIS A 429
 None
None
SEP  C  37 ( 2.8A)
None
 1.23A 1errA-1p22A:
0.0
1errB-1p22A:
0.4		 1errA-1p22A:
19.13
1errB-1p22A:
19.13
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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.23A 1fohA-2nzuG:
undetectable		 1fohA-2nzuG:
17.69
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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.20A 1fohA-3oqnA:
undetectable		 1fohA-3oqnA:
20.62
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.24A 1fohB-2nzuG:
undetectable		 1fohB-2nzuG:
17.69
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.21A 1fohB-3oqnA:
undetectable		 1fohB-3oqnA:
20.62
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.25A 1fohD-2nzuG:
undetectable		 1fohD-2nzuG:
17.69
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.22A 1fohD-3oqnA:
undetectable		 1fohD-3oqnA:
20.62
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.04A 1gfzA-1zefA:
undetectable		 1gfzA-1zefA:
20.34
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 3efz 14-3-3 PROTEIN
(Cryptosporidium
parvum) 		4 / 8 TYR A 154
LEU A 151
LEU A 159
GLU A 120
 SEP  A 265 ( 4.6A)
None
None
None
 0.92A 1i7zA-3efzA:
undetectable		 1i7zA-3efzA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 4q9z HUMAN PROTEIN KINASE
C THETA
(Homo
sapiens) 		4 / 6 LYS A 409
LEU A 411
LEU A 454
THR A 447
 None
None
None
SEP  A 695 ( 4.8A)
 0.90A 1ictB-4q9zA:
undetectable		 1ictB-4q9zA:
14.89
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 8 ALA A 166
LEU A  90
ALA A 134
THR A 138
 SEP  A 165 ( 3.2A)
None
None
None
 0.90A 1ie4B-3ga7A:
undetectable
1ie4D-3ga7A:
undetectable		 1ie4B-3ga7A:
16.61
1ie4D-3ga7A:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 1.13A 1iepA-3ppzA:
28.9		 1iepA-3ppzA:
35.23
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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		5 / 11 GLY A 261
HIS A 234
SER A 153
GLY A 258
ILE A 242
 SEP  A 402 ( 2.9A)
None
SEP  A 402 (-2.9A)
None
None
 1.24A 1jzsA-3vscA:
undetectable		 1jzsA-3vscA:
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4
(Mus
musculus) 		4 / 8 SER K 722
HIS K 693
ILE K 534
VAL K 707
 None
SEP  K 533 ( 3.9A)
SEP  K 533 ( 4.0A)
None
 1.14A 1kb9A-3jblK:
undetectable
1kb9C-3jblK:
undetectable
1kb9D-3jblK:
undetectable
1kb9E-3jblK:
undetectable		 1kb9A-3jblK:
19.50
1kb9C-3jblK:
17.36
1kb9D-3jblK:
12.96
1kb9E-3jblK:
11.82
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.
1L5Q_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 0.98A 1l5qA-1zefA:
undetectable		 1l5qA-1zefA:
21.84
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.
1L5Q_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 0.98A 1l5qB-1zefA:
undetectable		 1l5qB-1zefA:
21.84
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.
1L7X_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 0.99A 1l7xA-1zefA:
undetectable		 1l7xA-1zefA:
21.84
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.
1L7X_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.03A 1l7xB-1zefA:
undetectable		 1l7xB-1zefA:
21.84
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.
1LQT_A_ACTA1869_0
(FPRA)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		4 / 4 ASP A 214
HIS A 105
ARG A 445
GLU A 443
 None
SEP  A 104 (-3.7A)
G6Q  A 544 (-4.0A)
None
 1.13A 1lqtA-4hjhA:
undetectable		 1lqtA-4hjhA:
25.47
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 3a77 INTERFERON
REGULATORY FACTOR 3
(Homo
sapiens) 		5 / 12 ILE A 395
ASN A 190
LEU A 415
PRO A 191
LEU A 401
 None
None
None
None
SEP  A 402 ( 4.2A)
 1.28A 1mrlB-3a77A:
undetectable
1mrlC-3a77A:
undetectable		 1mrlB-3a77A:
17.07
1mrlC-3a77A:
17.07
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.
1N49_B_RITB301_2
(PROTEASE)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		5 / 11 ASN A 111
GLY A 103
ILE A  99
GLY A  51
ILE A  61
 None
SEP  A 104 ( 2.4A)
None
None
None
 0.96A 1n49B-4hjhA:
undetectable		 1n49B-4hjhA:
12.33
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.
1N49_D_RITD401_1
(PROTEASE)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		5 / 11 ASN A 111
GLY A 103
ILE A  99
GLY A  51
ILE A  61
 None
SEP  A 104 ( 2.4A)
None
None
None
 0.94A 1n49C-4hjhA:
undetectable		 1n49C-4hjhA:
12.33
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.
1NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 5i6e ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		3 / 3 ARG A1173
ILE A1115
TRP A1131
 SEP  A1157 ( 2.8A)
None
None
 0.87A 1nodB-5i6eA:
undetectable		 1nodB-5i6eA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 5kl0 PHOSPHOGLUCOMUTASE
(Xanthomonas
citri) 		5 / 12 GLY A 260
GLY A 197
ILE A 231
GLU A  99
ALA A 257
 SEP  A 119 ( 4.8A)
None
None
None
None
 1.01A 1nv8B-5kl0A:
undetectable		 1nv8B-5kl0A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		3 / 3 ASP A 316
HIS A 153
ASP A 273
 ZN  A 901 ( 1.9A)
SEP  A  92 ( 4.5A)
None
 0.78A 1nw5A-1zefA:
undetectable		 1nw5A-1zefA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		4 / 6 LEU A 730
LYS A 758
VAL A 778
ARG A 873
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.1A)
None
SEP  A 909 ( 3.0A)
 1.11A 1opjB-5fm2A:
30.8		 1opjB-5fm2A:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		5 / 11 GLU A 264
VAL A 262
MET A 252
ARG A 272
GLU A 284
 None
None
None
SEP  A 177 ( 3.1A)
None
 1.21A 1p62B-3tmpA:
undetectable		 1p62B-3tmpA:
23.88
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.21A 1pn0A-2nzuG:
undetectable		 1pn0A-2nzuG:
17.66
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.18A 1pn0A-3oqnA:
1.9		 1pn0A-3oqnA:
20.53
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.22A 1pn0B-2nzuG:
undetectable		 1pn0B-2nzuG:
17.66
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.19A 1pn0B-3oqnA:
undetectable		 1pn0B-3oqnA:
20.53
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
megaterium;
Bacillus
megaterium) 		5 / 10 GLY G 298
MET L  51
VAL G 300
ILE L  47
GLY G  81
 None
None
None
SEP  L  46 ( 4.2A)
None
 1.25A 1pn0D-2nzuG:
undetectable		 1pn0D-2nzuG:
17.66
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		5 / 10 GLY A 299
MET S  51
VAL A 301
ILE S  47
GLY A  82
 None
None
None
SEP  S  46 ( 4.1A)
None
 1.21A 1pn0D-3oqnA:
undetectable		 1pn0D-3oqnA:
20.53
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.
1RK3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3nuu PKB-LIKE
(Homo
sapiens) 		4 / 4 LEU A 316
ILE A 202
ARG A 204
TYR A 333
 None
None
SEP  A 241 ( 3.4A)
None
 1.48A 1rk3A-3nuuA:
undetectable		 1rk3A-3nuuA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 5 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.81A 1rs7A-3vscA:
undetectable		 1rs7A-3vscA:
21.48
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.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 6 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.93A 1rs7B-3vscA:
undetectable		 1rs7B-3vscA:
21.48
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 GLY A  94
GLY A  93
ASP A 222
ASP A 202
ARG A 207
 SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.6A)
None
None
None
 0.84A 1sqfA-3ga7A:
2.9		 1sqfA-3ga7A:
24.33
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.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1p22 F-BOX/WD-REPEAT
PROTEIN 1A
(Homo
sapiens) 		4 / 8 ARG A 285
HIS A 518
SER A 536
ARG A 521
 SEP  C  33 ( 3.7A)
None
None
None
 1.14A 1u1jA-1p22A:
undetectable		 1u1jA-1p22A:
19.95
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		4 / 7 THR A  67
VAL A 220
GLY A 219
ASP A 288
 SEP  A  69 ( 3.4A)
None
None
MG  A 998 (-2.3A)
 0.82A 2a1mA-4bjuA:
undetectable		 2a1mA-4bjuA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		4 / 8 THR A  67
VAL A 220
GLY A 219
ASP A 288
 SEP  A  69 ( 3.4A)
None
None
MG  A 998 (-2.3A)
 0.85A 2a1oA-4bjuA:
undetectable		 2a1oA-4bjuA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		4 / 5 LEU A 156
GLY A 243
PRO A  85
ALA A  86
 None
SEP  A 104 ( 4.6A)
None
None
 0.69A 2aohA-4hjhA:
undetectable		 2aohA-4hjhA:
11.63
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		3 / 3 SER A 123
THR A 262
GLN A 224
 None
PLP  A 401 ( 2.7A)
SEP  A 402 (-3.3A)
 0.83A 2fk8A-3vscA:
3.4		 2fk8A-3vscA:
22.84
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		 1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442
(Thermotoga
maritima) 		5 / 11 ILE A   8
LEU A   6
ASP A  22
GLY A  61
VAL A  19
 None
None
None
SEP  A  59 ( 4.1A)
None
 0.92A 2fxdA-1t6rA:
undetectable		 2fxdA-1t6rA:
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ALA A 433
THR A  95
VAL A  89
VAL A 437
LEU A  40
 None
SEP  A  92 ( 4.1A)
None
None
None
 1.12A 2g78A-1zefA:
undetectable		 2g78A-1zefA:
14.88
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.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 8 GLY A  93
GLY A  94
ALA A 166
HIS A 292
 SEP  A 165 ( 3.6A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.2A)
SEP  A 165 ( 3.9A)
 0.24A 2ha4A-3ga7A:
17.9		 2ha4A-3ga7A:
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 7 GLY A  93
GLY A  94
ALA A 166
HIS A 292
 SEP  A 165 ( 3.6A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.2A)
SEP  A 165 ( 3.9A)
 0.21A 2ha4B-3ga7A:
18.4		 2ha4B-3ga7A:
23.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.91A 2hyyA-3ppzA:
28.9		 2hyyA-3ppzA:
33.55
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.
2NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 5i6e ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		3 / 3 ARG A1173
ILE A1115
TRP A1131
 SEP  A1157 ( 2.8A)
None
None
 0.90A 2nodB-5i6eA:
undetectable		 2nodB-5i6eA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1l7p PHOSPHOSERINE
PHOSPHATASE
(Methanocaldococc
us
jannaschii) 		3 / 3 THR A  39
ASP A 171
SER A 173
 SEP  A 770 (-3.7A)
SEP  A 770 ( 4.7A)
None
 0.76A 2nxeA-1l7pA:
2.4		 2nxeA-1l7pA:
24.91
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.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1l7p PHOSPHOSERINE
PHOSPHATASE
(Methanocaldococc
us
jannaschii) 		3 / 3 THR A  39
ASP A 171
SER A 173
 SEP  A 770 (-3.7A)
SEP  A 770 ( 4.7A)
None
 0.79A 2nxeB-1l7pA:
2.4		 2nxeB-1l7pA:
24.91
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 4q9z HUMAN PROTEIN KINASE
C THETA
(Homo
sapiens) 		5 / 12 LEU A 411
MET A 686
LEU A 417
THR A 425
PHE A 694
 None
None
None
None
SEP  A 695 ( 4.7A)
 1.44A 2oaxA-4q9zA:
undetectable		 2oaxA-4q9zA:
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 7 ALA A 293
TYR A 195
MET A 301
HIS A 296
 None
SEP  A 165 ( 4.6A)
None
None
 1.39A 2pncA-3ga7A:
undetectable		 2pncA-3ga7A:
18.93
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 1kkm PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis) 		5 / 8 ALA H  73
LEU H  22
ILE H  63
VAL H  50
ILE H  47
 None
None
None
SEP  H  46 ( 4.2A)
SEP  H  46 ( 3.5A)
 1.47A 2uxpA-1kkmH:
undetectable		 2uxpA-1kkmH:
18.57
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 1kkm PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis) 		5 / 8 ALA H  73
LEU H  77
LEU H  22
VAL H  50
ILE H  47
 None
None
None
SEP  H  46 ( 4.2A)
SEP  H  46 ( 3.5A)
 1.30A 2uxpA-1kkmH:
undetectable		 2uxpA-1kkmH:
18.57
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		5 / 12 GLU A 264
VAL A 262
MET A 252
ARG A 272
GLU A 284
 None
None
None
SEP  A 177 ( 3.1A)
None
 1.30A 2vppA-3tmpA:
undetectable		 2vppA-3tmpA:
22.31
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.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		5 / 12 GLU A 264
VAL A 262
MET A 252
ARG A 272
GLU A 284
 None
None
None
SEP  A 177 ( 3.1A)
None
 1.34A 2vppB-3tmpA:
undetectable		 2vppB-3tmpA:
22.31
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1
(Rattus
norvegicus) 		4 / 6 HIS A 153
ALA A  93
ALA A  96
PHE A 309
 SEP  A  92 ( 4.9A)
SEP  A  92 ( 3.7A)
SEP  A  92 ( 3.3A)
None
 1.04A 2xfhA-4kjdA:
undetectable		 2xfhA-4kjdA:
23.00
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		5 / 9 THR A 341
ILE A 245
GLY A 338
GLY A 336
ARG A 244
 None
None
None
None
SEP  A 101 ( 4.1A)
 1.42A 2y7wA-3i3wA:
2.0		 2y7wA-3i3wA:
17.38
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3nuu PKB-LIKE
(Homo
sapiens) 		4 / 5 LEU A 316
ILE A 202
ARG A 204
TYR A 333
 None
None
SEP  A 241 ( 3.4A)
None
 1.48A 2zlcA-3nuuA:
undetectable		 2zlcA-3nuuA:
20.68
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442
(Thermotoga
maritima) 		5 / 12 LEU A  81
LEU A  62
LEU A  65
VAL A  66
ILE A 100
 None
SEP  A  59 ( 3.9A)
None
None
None
 0.94A 3adxB-1t6rA:
undetectable		 3adxB-1t6rA:
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 2du3 O-PHOSPHOSERYL-TRNA
SYNTHETASE
(Archaeoglobus
fulgidus) 		4 / 5 SER A 233
LEU A  72
GLY A 190
CYH A 214
 SEP  A1001 (-2.3A)
None
None
SEP  A1001 ( 4.8A)
 1.17A 3aiaA-2du3A:
undetectable
3aiaB-2du3A:
undetectable		 3aiaA-2du3A:
18.70
3aiaB-2du3A:
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.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 5 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 0.99A 3bcrA-1zefA:
undetectable		 3bcrA-1zefA:
20.34
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		6 / 12 GLY A 285
GLY A 258
SER A 282
ASP A 260
ASN A 218
LEU A 253
 SEP  A  69 ( 3.6A)
None
None
None
None
None
 1.46A 3cjtO-4bjuA:
undetectable		 3cjtO-4bjuA:
20.44
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 6fj4 ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		5 / 9 VAL A1063
LEU A 880
ARG A1064
ILE A 873
GLY A 979
 None
None
None
None
SEP  A 954 ( 3.9A)
 1.21A 3cv9A-6fj4A:
undetectable		 3cv9A-6fj4A:
12.68
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.
3D91_B_REMB350_1
(RENIN)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		5 / 12 THR A 129
VAL A  79
ALA A  47
SER A  48
HIS A 194
 SEP  A 126 ( 2.9A)
None
SEP  A 126 ( 3.9A)
SEP  A 126 ( 2.6A)
SEP  A 126 ( 4.1A)
 1.27A 3d91B-3qpdA:
undetectable		 3d91B-3qpdA:
22.13
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.
3DD1_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.01A 3dd1A-1zefA:
undetectable		 3dd1A-1zefA:
21.84
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.
3DD1_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.02A 3dd1B-1zefA:
undetectable		 3dd1B-1zefA:
21.84
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.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.00A 3ddsA-1zefA:
0.1		 3ddsA-1zefA:
21.84
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.
3DDS_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.00A 3ddsB-1zefA:
undetectable		 3ddsB-1zefA:
21.84
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.
3DDW_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 0.99A 3ddwA-1zefA:
0.8		 3ddwA-1zefA:
21.84
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.
3DDW_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 6 ASN A  84
PHE A 107
ALA A  94
GLY A  93
 None
PHE  A 802 (-4.4A)
None
SEP  A  92 ( 2.4A)
 1.00A 3ddwB-1zefA:
undetectable		 3ddwB-1zefA:
21.84
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.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5i6e ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		3 / 3 ARG A1173
ILE A1115
TRP A1131
 SEP  A1157 ( 2.8A)
None
None
 0.85A 3e7iB-5i6eA:
undetectable		 3e7iB-5i6eA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 3ifq E-CADHERIN
PLAKOGLOBIN
(Homo
sapiens;
Mus
musculus) 		3 / 3 TYR A 297
TYR C 681
GLY C 685
 SEP  C 684 ( 4.8A)
None
SEP  C 686 ( 2.4A)
 0.64A 3eteB-3ifqA:
undetectable
3eteD-3ifqA:
undetectable
3eteF-3ifqA:
undetectable		 3eteB-3ifqA:
23.56
3eteD-3ifqA:
23.56
3eteF-3ifqA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.32A 3g1uB-3ga7A:
5.2		 3g1uB-3ga7A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.33A 3g1uC-3ga7A:
undetectable		 3g1uC-3ga7A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.32A 3g1uD-3ga7A:
5.5		 3g1uD-3ga7A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
(Escherichia
coli) 		3 / 3 SER B 152
ASP B 185
ASP B 154
 None
None
SEP  B 162 ( 4.0A)
 0.87A 3iv6A-5mrwB:
undetectable		 3iv6A-5mrwB:
19.97
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4
(Homo
sapiens) 		5 / 12 ALA A 463
ILE A 441
SER A 445
LEU A 456
LEU A 431
 SEP  A 474 ( 4.1A)
None
MG  A 603 ( 4.0A)
None
None
 1.06A 3k2hA-4xbrA:
undetectable		 3k2hA-4xbrA:
21.94
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		3 / 3 ASP A 273
ARG A 314
ARG A 166
 None
None
SEP  A  92 (-2.9A)
 1.01A 3k37A-1zefA:
undetectable		 3k37A-1zefA:
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 6fj4 ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 8 GLY A 865
PHE A1011
PHE A1074
PHE A 860
 SEP  A 954 ( 3.7A)
None
None
None
 0.87A 3ko0D-6fj4A:
undetectable
3ko0E-6fj4A:
undetectable		 3ko0D-6fj4A:
17.27
3ko0E-6fj4A:
17.27
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.
3KO0_L_TFPL201_1
(PROTEIN S100-A4)		 6fj4 ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 7 GLY A 865
PHE A1011
PHE A1074
PHE A 860
 SEP  A 954 ( 3.7A)
None
None
None
 0.76A 3ko0L-6fj4A:
undetectable
3ko0N-6fj4A:
undetectable		 3ko0L-6fj4A:
17.27
3ko0N-6fj4A:
17.27
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 6fj4 ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 7 PHE A 860
GLY A 865
PHE A1011
PHE A1074
 None
SEP  A 954 ( 3.7A)
None
None
 0.90A 3ko0K-6fj4A:
undetectable
3ko0S-6fj4A:
undetectable		 3ko0K-6fj4A:
17.27
3ko0S-6fj4A:
17.27
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 6fj4 ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 7 PHE A 860
GLY A 865
PHE A1011
PHE A1074
 None
SEP  A 954 ( 3.7A)
None
None
 0.76A 3ko0R-6fj4A:
undetectable
3ko0T-6fj4A:
undetectable		 3ko0R-6fj4A:
17.27
3ko0T-6fj4A:
17.27
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 ALA A 168
GLY A  94
GLY A  93
ASP A 267
ASP A 164
 SEP  A 165 ( 3.3A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.6A)
None
SEP  A 165 ( 4.4A)
 1.06A 3m6vA-3ga7A:
2.7		 3m6vA-3ga7A:
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 ALA A 168
GLY A  94
GLY A  93
ASP A 267
ASP A 164
 SEP  A 165 ( 3.3A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.6A)
None
SEP  A 165 ( 4.4A)
 1.05A 3m6vB-3ga7A:
undetectable		 3m6vB-3ga7A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.71A 3ms9A-3ppzA:
28.5		 3ms9A-3ppzA:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 7 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.73A 3ms9B-3ppzA:
28.6		 3ms9B-3ppzA:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.72A 3mssA-3ppzA:
28.6		 3mssA-3ppzA:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.75A 3mssC-3ppzA:
28.6		 3mssC-3ppzA:
35.23
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.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5i6e ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		3 / 3 ARG A1173
ILE A1115
TRP A1131
 SEP  A1157 ( 2.8A)
None
None
 0.89A 3nw2B-5i6eA:
undetectable		 3nw2B-5i6eA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 7 GLY A  93
GLY A  94
LEU A 221
HIS A 292
 SEP  A 165 ( 3.6A)
SEP  A 165 ( 3.5A)
None
SEP  A 165 ( 3.9A)
 0.55A 3o9mA-3ga7A:
18.2		 3o9mA-3ga7A:
18.90
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		4 / 6 GLY A  93
GLY A  94
LEU A 221
HIS A 292
 SEP  A 165 ( 3.6A)
SEP  A 165 ( 3.5A)
None
SEP  A 165 ( 3.9A)
 0.55A 3o9mB-3ga7A:
18.4		 3o9mB-3ga7A:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		5 / 9 LYS A 578
ILE A 623
ARG A 675
LEU A 683
VAL A 692
 STU  A   1 (-3.5A)
None
SEP  A 710 ( 3.6A)
STU  A   1 (-4.3A)
None
 0.76A 3oxzA-3ppzA:
28.8		 3oxzA-3ppzA:
33.55
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		5 / 10 THR A 241
PRO A  85
TYR A 159
GLY A 243
ALA A 245
 None
None
None
SEP  A 104 ( 4.6A)
None
 1.41A 3pp7B-4hjhA:
4.0		 3pp7B-4hjhA:
23.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 6 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.87A 3pyyA-3ppzA:
28.6		 3pyyA-3ppzA:
36.74
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.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		5 / 12 PHE A 695
ASP A 733
GLY A 696
SER A 698
ALA A 712
 None
None
None
None
SEP  A 710 ( 4.2A)
 0.89A 3sufB-3ppzA:
undetectable		 3sufB-3ppzA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		5 / 11 PHE A 695
ASP A 733
GLY A 696
SER A 698
ALA A 712
 None
None
None
None
SEP  A 710 ( 4.2A)
 0.88A 3sufC-3ppzA:
undetectable		 3sufC-3ppzA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		5 / 12 ARG A 244
GLY A 240
SER A  52
ALA A 100
ASN A 108
 SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
None
SEP  A 101 ( 3.6A)
None
 1.34A 3t7sB-3i3wA:
undetectable		 3t7sB-3i3wA:
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		5 / 12 ARG A 244
GLY A 240
SER A  52
ALA A 100
ASN A 108
 SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
None
SEP  A 101 ( 3.6A)
None
 1.36A 3t7sC-3i3wA:
undetectable		 3t7sC-3i3wA:
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		5 / 12 ARG A 244
GLY A 240
SER A  52
ALA A 100
ASN A 108
 SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
None
SEP  A 101 ( 3.6A)
None
 1.33A 3t7sD-3i3wA:
undetectable		 3t7sD-3i3wA:
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		4 / 8 PHE A 153
HIS A 194
GLY A 154
GLY A  55
 None
SEP  A 126 ( 4.1A)
SEP  A 126 ( 4.5A)
None
 0.98A 3v3nB-3qpdA:
2.9		 3v3nB-3qpdA:
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		4 / 8 PHE A 153
HIS A 194
GLY A 154
GLY A  55
 None
SEP  A 126 ( 4.1A)
SEP  A 126 ( 4.5A)
None
 1.00A 3v3nC-3qpdA:
2.9		 3v3nC-3qpdA:
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 1u5q SERINE/THREONINE
PROTEIN KINASE TAO2
(Rattus
norvegicus) 		7 / 12 ALA A  55
LYS A  57
GLU A  76
LEU A 142
HIS A 149
ARG A 150
LEU A 158
 None
None
None
None
None
SEP  A 181 ( 2.8A)
None
 0.79A 3zosA-1u5qA:
23.1		 3zosA-1u5qA:
26.95
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3nuu PKB-LIKE
(Homo
sapiens) 		8 / 12 LEU A  88
ALA A 109
LYS A 111
GLU A 130
LEU A 196
HIS A 203
ARG A 204
LEU A 212
 JOZ  A 361 (-4.1A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-2.8A)
SO4  A   5 (-3.1A)
None
None
SEP  A 241 ( 3.4A)
None
 0.81A 3zosA-3nuuA:
22.7		 3zosA-3nuuA:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
ALA A  36
LYS A  38
GLU A  55
LEU A 126
HIS A 133
ARG A 134
 BX7  A 401 (-3.9A)
BX7  A 401 (-3.4A)
BX7  A 401 (-3.5A)
None
None
None
SEP  A 172 ( 2.7A)
 0.71A 3zosA-4euuA:
14.0		 3zosA-4euuA:
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4
(Homo
sapiens) 		7 / 12 ALA A 348
LYS A 350
GLU A 366
LEU A 431
HIS A 438
ARG A 439
LEU A 447
 ATP  A 601 ( 3.7A)
ATP  A 601 (-2.8A)
ATP  A 601 ( 3.7A)
None
None
SEP  A 474 ( 3.2A)
None
 0.77A 3zosA-4xbrA:
15.3		 3zosA-4xbrA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 1u5q SERINE/THREONINE
PROTEIN KINASE TAO2
(Rattus
norvegicus) 		8 / 12 ALA A  55
LYS A  57
GLU A  76
ILE A  89
LEU A 142
HIS A 149
ARG A 150
LEU A 158
 None
None
None
None
None
None
SEP  A 181 ( 2.8A)
None
 0.77A 3zosB-1u5qA:
23.2		 3zosB-1u5qA:
26.95
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2
(Rattus
norvegicus) 		7 / 12 ALA A  55
GLU A  76
ILE A  89
LEU A 142
HIS A 149
ARG A 150
LEU A 158
 STU  A 400 (-3.2A)
None
STU  A 400 ( 4.5A)
None
None
SEP  A 181 ( 2.9A)
STU  A 400 ( 4.6A)
 0.67A 3zosB-2gcdA:
24.1		 3zosB-2gcdA:
28.41
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4
(Homo
sapiens) 		7 / 12 ALA A 348
LYS A 350
GLU A 366
LEU A 431
HIS A 438
ARG A 439
LEU A 447
 ATP  A 601 ( 3.7A)
ATP  A 601 (-2.8A)
ATP  A 601 ( 3.7A)
None
None
SEP  A 474 ( 3.2A)
None
 0.82A 3zosB-4xbrA:
15.3		 3zosB-4xbrA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_B_STIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 1u5q SERINE/THREONINE
PROTEIN KINASE TAO2
(Rattus
norvegicus) 		4 / 5 LYS A  57
LEU A  83
TYR A 107
ARG A 150
 None
None
None
SEP  A 181 ( 2.8A)
 0.90A 4bkjB-1u5qA:
23.5		 4bkjB-1u5qA:
26.95
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.
4BKJ_B_STIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2
(Rattus
norvegicus) 		4 / 5 LYS A  57
LEU A  83
TYR A 107
ARG A 150
 STU  A 400 ( 4.5A)
None
STU  A 400 (-4.5A)
SEP  A 181 ( 2.9A)
 1.02A 4bkjB-2gcdA:
24.4		 4bkjB-2gcdA:
28.41
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.
4BKJ_B_STIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3nuu PKB-LIKE
(Homo
sapiens) 		4 / 5 LYS A 111
LEU A 137
TYR A 161
ARG A 204
 SO4  A   5 (-2.8A)
None
None
SEP  A 241 ( 3.4A)
 1.18A 4bkjB-3nuuA:
22.8		 4bkjB-3nuuA:
25.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		4 / 5 LYS A 578
LEU A 603
TYR A 627
ARG A 675
 STU  A   1 (-3.5A)
None
STU  A   1 (-4.4A)
SEP  A 710 ( 3.6A)
 1.02A 4bkjB-3ppzA:
27.6		 4bkjB-3ppzA:
31.93
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 5 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.99A 4d33A-3vscA:
undetectable		 4d33A-3vscA:
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 5 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.99A 4d33B-3vscA:
undetectable		 4d33B-3vscA:
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 6 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.95A 4d39B-3vscA:
undetectable		 4d39B-3vscA:
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 4q9z HUMAN PROTEIN KINASE
C THETA
(Homo
sapiens) 		4 / 6 LYS A 409
LEU A 411
LEU A 454
THR A 447
 None
None
None
SEP  A 695 ( 4.8A)
 0.64A 4d7bB-4q9zA:
undetectable		 4d7bB-4q9zA:
14.89
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC
(Thermosynechococ
cus
elongatus) 		3 / 3 LYS A 404
THR A 400
ILE A 430
 None
None
SEP  A 431 ( 3.7A)
 0.88A 4e0fB-4o0mA:
undetectable		 4e0fB-4o0mA:
19.70
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		5 / 12 LEU A   6
ALA A  65
ASP A  53
GLY A 112
GLY A 103
 None
None
None
None
SEP  A 104 ( 2.4A)
 1.24A 4hfpB-4hjhA:
undetectable		 4hfpB-4hjhA:
20.33
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 5x0e FREE SERINE KINASE
(Thermococcus
kodakarensis) 		3 / 3 THR A 101
PRO A 203
THR A 223
 None
None
SEP  A 302 (-3.9A)
 0.88A 4hivD-5x0eA:
undetectable		 4hivD-5x0eA:
6.71
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.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN
(Mus
musculus;
Mus
musculus) 		4 / 8 HIS L  91
GLY H  96
TYR L  49
GLU L  55
 None
SEP  P 396 ( 3.7A)
None
None
 0.92A 4hyfC-6bb4L:
undetectable		 4hyfC-6bb4L:
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.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 4q9z HUMAN PROTEIN KINASE
C THETA
(Homo
sapiens) 		4 / 6 LYS A 409
LEU A 411
LEU A 454
THR A 447
 None
None
None
SEP  A 695 ( 4.8A)
 0.98A 4i89A-4q9zA:
undetectable		 4i89A-4q9zA:
14.89
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.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)		 4otd SERINE/THREONINE-PRO
TEIN KINASE N1
(Homo
sapiens) 		3 / 3 LYS A 634
LEU A 636
ALA A 651
 SEP  A 922 ( 2.8A)
None
None
 0.56A 4iizA-4otdA:
undetectable		 4iizA-4otdA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3vsc PROTEIN CYSO
(Aeropyrum
pernix) 		4 / 6 GLY A 261
ILE A 296
VAL A 126
SER A 259
 SEP  A 402 ( 2.9A)
PLP  A 401 (-4.6A)
None
PLP  A 401 (-3.4A)
 0.84A 4kcnA-3vscA:
undetectable		 4kcnA-3vscA:
21.48
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		4 / 5 LEU A 253
ARG A 289
PRO A 269
SER A 271
 None
SEP  A  69 ( 3.8A)
None
None
 1.29A 4kmmB-4bjuA:
2.9		 4kmmB-4bjuA:
19.32
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 4r10 PROTEIN HUMPBACK-2
(Caenorhabditis
elegans) 		3 / 3 ARG A 271
ASP A 227
ARG A 306
 SEP  B1212 ( 4.2A)
None
SEP  B1212 ( 4.0A)
 0.82A 4mx0A-4r10A:
undetectable		 4mx0A-4r10A:
20.20
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		4 / 6 ASP A 243
ASP A 241
ASN A 103
ARG A  11
 ZN  A 900 (-2.7A)
ZN  A 900 (-2.8A)
None
SEP  A 101 ( 2.9A)
 1.08A 4ntxA-3i3wA:
2.6
4ntxC-3i3wA:
undetectable		 4ntxA-3i3wA:
21.27
4ntxC-3i3wA:
13.18
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		4 / 6 ASP A 288
ASP A 286
ASN A  71
ARG A  33
 MG  A 998 (-2.3A)
MG  A 998 (-2.4A)
None
SEP  A  69 ( 2.9A)
 1.11A 4ntxA-4bjuA:
undetectable
4ntxC-4bjuA:
1.8		 4ntxA-4bjuA:
21.99
4ntxC-4bjuA:
11.88
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE
(Aspergillus
fumigatus) 		4 / 6 GLU A 380
ASP A 288
ASP A 284
ARG A  33
 None
MG  A 998 (-2.3A)
MG  A 998 (-2.6A)
SEP  A  69 ( 2.9A)
 1.36A 4ntxA-4bjuA:
undetectable
4ntxC-4bjuA:
1.8		 4ntxA-4bjuA:
21.99
4ntxC-4bjuA:
11.88
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442
(Thermotoga
maritima) 		4 / 8 LEU A  62
LEU A  65
VAL A  66
ILE A 100
 SEP  A  59 ( 3.9A)
None
None
None
 0.86A 4oj4A-1t6rA:
undetectable		 4oj4A-1t6rA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_E_HCYE900_1
(GLUCOCORTICOID
RECEPTOR)		 4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC
(Thermosynechococ
cus
elongatus) 		5 / 12 GLY A 401
GLN A 256
MET A 252
LEU A 254
ILE A 430
 None
None
None
None
SEP  A 431 ( 3.7A)
 1.25A 4p6xE-4o0mA:
undetectable		 4p6xE-4o0mA:
18.13
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 5 THR A 149
THR A 147
THR A  95
HIS A 358
 MG  A 903 ( 4.6A)
None
SEP  A  92 ( 4.1A)
ZN  A 902 (-3.2A)
 1.31A 4pgfB-1zefA:
undetectable		 4pgfB-1zefA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nuu PKB-LIKE
(Homo
sapiens) 		5 / 12 ALA A 109
GLU A 130
MET A 134
ARG A 204
ASP A 223
 JOZ  A 361 (-3.4A)
SO4  A   5 (-3.1A)
None
SEP  A 241 ( 3.4A)
SO4  A   5 ( 4.5A)
 1.13A 4qrcA-3nuuA:
24.1		 4qrcA-3nuuA:
24.24
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nuu PKB-LIKE
(Homo
sapiens) 		5 / 12 ALA A 109
GLU A 130
MET A 134
LEU A 196
ARG A 204
 JOZ  A 361 (-3.4A)
SO4  A   5 (-3.1A)
None
None
SEP  A 241 ( 3.4A)
 0.80A 4qrcA-3nuuA:
24.1		 4qrcA-3nuuA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1
(Arabidopsis
thaliana) 		5 / 12 ALA A 576
GLU A 596
MET A 600
LEU A 665
ARG A 675
 STU  A   1 (-3.3A)
None
None
None
SEP  A 710 ( 3.6A)
 1.02A 4qrcA-3ppzA:
29.1		 4qrcA-3ppzA:
33.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		5 / 12 ALA A 756
GLU A 775
VAL A 804
LEU A 865
ARG A 873
 PP1  A2012 (-3.2A)
PP1  A2012 (-3.5A)
PP1  A2012 (-4.5A)
None
SEP  A 909 ( 3.0A)
 1.01A 4qrcA-5fm2A:
34.7		 4qrcA-5fm2A:
48.89
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1l7p PHOSPHOSERINE
PHOSPHATASE
(Methanocaldococc
us
jannaschii) 		5 / 9 ALA A 105
GLY A 100
ALA A 120
ILE A 104
VAL A 134
 None
SEP  A 770 (-3.7A)
None
None
None
 1.03A 4r21B-1l7pA:
undetectable		 4r21B-1l7pA:
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		5 / 12 ALA A 204
SER A 205
ALA A  47
GLY A 124
TYR A 125
 None
None
SEP  A 126 ( 3.9A)
None
SEP  A 126 ( 4.4A)
 1.30A 4r29A-3qpdA:
undetectable		 4r29A-3qpdA:
22.27
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		6 / 12 ALA A 204
SER A 205
GLU A  50
ALA A  47
GLY A 124
TYR A 125
 None
None
None
SEP  A 126 ( 3.9A)
None
SEP  A 126 ( 4.4A)
 1.29A 4r29B-3qpdA:
undetectable		 4r29B-3qpdA:
22.27
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
(Homo
sapiens) 		4 / 5 ILE A 335
PHE A 108
SER A 114
ASP A  41
 None
None
SEP  A 338 ( 2.9A)
None
 1.38A 4rzvB-3mvjA:
20.8		 4rzvB-3mvjA:
25.39
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 3nuu PKB-LIKE
(Homo
sapiens) 		6 / 10 LEU A  88
VAL A  96
VAL A 143
TYR A 161
ARG A 204
ILE A 221
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
None
None
SEP  A 241 ( 3.4A)
None
 0.81A 4u0iA-3nuuA:
23.1		 4u0iA-3nuuA:
25.30
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.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3nuu PKB-LIKE
(Homo
sapiens) 		5 / 7 VAL A  96
MET A 134
ALA A 162
ARG A 204
ILE A 221
 JOZ  A 361 ( 4.7A)
None
JOZ  A 361 (-3.8A)
SEP  A 241 ( 3.4A)
None
 1.03A 4uxqA-3nuuA:
23.8		 4uxqA-3nuuA:
24.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		5 / 7 VAL A 738
ILE A 788
ALA A 807
ARG A 873
ILE A 890
 PP1  A2012 (-4.4A)
None
PP1  A2012 ( 3.5A)
SEP  A 909 ( 3.0A)
None
 1.24A 4uxqA-5fm2A:
34.8		 4uxqA-5fm2A:
48.61
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.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 1u5q SERINE/THREONINE
PROTEIN KINASE TAO2
(Rattus
norvegicus) 		6 / 9 VAL A  42
LYS A  57
ILE A  89
TYR A 107
ARG A 150
LEU A 158
 None
None
None
None
SEP  A 181 ( 2.8A)
None
 0.73A 4v01A-1u5qA:
23.6		 4v01A-1u5qA:
26.46
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.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2
(Rattus
norvegicus) 		6 / 9 VAL A  42
LYS A  57
ILE A  89
TYR A 107
ARG A 150
LEU A 158
 STU  A 400 ( 4.8A)
STU  A 400 ( 4.5A)
STU  A 400 ( 4.5A)
STU  A 400 (-4.5A)
SEP  A 181 ( 2.9A)
STU  A 400 ( 4.6A)
 0.69A 4v01A-2gcdA:
24.5		 4v01A-2gcdA:
26.72
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.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nuu PKB-LIKE
(Homo
sapiens) 		6 / 9 LEU A  88
VAL A  96
TYR A 161
ARG A 204
LEU A 212
ILE A 221
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
None
SEP  A 241 ( 3.4A)
None
None
 0.78A 4v01A-3nuuA:
22.9		 4v01A-3nuuA:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		7 / 9 LEU A 730
VAL A 738
ILE A 788
TYR A 806
ARG A 873
LEU A 881
ILE A 890
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.4A)
None
None
SEP  A 909 ( 3.0A)
PP1  A2012 (-4.6A)
None
 0.94A 4v01A-5fm2A:
33.7		 4v01A-5fm2A:
51.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		7 / 9 LEU A 730
VAL A 738
LYS A 758
ILE A 788
TYR A 806
ARG A 873
ILE A 890
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.4A)
PP1  A2012 (-4.1A)
None
None
SEP  A 909 ( 3.0A)
None
 1.08A 4v01A-5fm2A:
33.7		 4v01A-5fm2A:
51.53
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nuu PKB-LIKE
(Homo
sapiens) 		7 / 9 LEU A  88
VAL A  96
LYS A 111
TYR A 161
ARG A 204
LEU A 212
ILE A 221
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
SO4  A   5 (-2.8A)
None
SEP  A 241 ( 3.4A)
None
None
 0.82A 4v01B-3nuuA:
23.3		 4v01B-3nuuA:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		7 / 9 LEU A 730
VAL A 738
LYS A 758
ILE A 788
TYR A 806
ARG A 873
ILE A 890
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.4A)
PP1  A2012 (-4.1A)
None
None
SEP  A 909 ( 3.0A)
None
 0.86A 4v01B-5fm2A:
34.1		 4v01B-5fm2A:
51.53
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.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nuu PKB-LIKE
(Homo
sapiens) 		5 / 8 MET A 134
TYR A 161
ARG A 204
LEU A 212
ILE A 221
 None
None
SEP  A 241 ( 3.4A)
None
None
 1.10A 4v04A-3nuuA:
22.9		 4v04A-3nuuA:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		5 / 8 ILE A 788
TYR A 806
ARG A 873
LEU A 881
ILE A 890
 None
None
SEP  A 909 ( 3.0A)
PP1  A2012 (-4.6A)
None
 1.33A 4v04A-5fm2A:
33.7		 4v04A-5fm2A:
51.53
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 1u5q SERINE/THREONINE
PROTEIN KINASE TAO2
(Rattus
norvegicus) 		6 / 10 VAL A  42
LYS A  57
ILE A  89
TYR A 107
ARG A 150
LEU A 158
 None
None
None
None
SEP  A 181 ( 2.8A)
None
 0.86A 4v04B-1u5qA:
24.1		 4v04B-1u5qA:
26.46
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2
(Rattus
norvegicus) 		6 / 10 VAL A  42
LYS A  57
ILE A  89
TYR A 107
ARG A 150
LEU A 158
 STU  A 400 ( 4.8A)
STU  A 400 ( 4.5A)
STU  A 400 ( 4.5A)
STU  A 400 (-4.5A)
SEP  A 181 ( 2.9A)
STU  A 400 ( 4.6A)
 0.88A 4v04B-2gcdA:
24.9		 4v04B-2gcdA:
26.72
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nuu PKB-LIKE
(Homo
sapiens) 		7 / 10 LEU A  88
VAL A  96
LYS A 111
TYR A 161
ARG A 204
LEU A 212
ILE A 221
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
SO4  A   5 (-2.8A)
None
SEP  A 241 ( 3.4A)
None
None
 1.05A 4v04B-3nuuA:
23.4		 4v04B-3nuuA:
26.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3nuu PKB-LIKE
(Homo
sapiens) 		7 / 10 LEU A  88
VAL A  96
MET A 134
TYR A 161
ARG A 204
LEU A 212
ILE A 221
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
None
None
SEP  A 241 ( 3.4A)
None
None
 0.93A 4v04B-3nuuA:
23.4		 4v04B-3nuuA:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		6 / 10 LEU A 730
VAL A 738
TYR A 806
ARG A 873
LEU A 881
ILE A 890
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.4A)
None
SEP  A 909 ( 3.0A)
PP1  A2012 (-4.6A)
None
 1.17A 4v04B-5fm2A:
34.0		 4v04B-5fm2A:
51.53
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.
4X61_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		4 / 5 TYR A 269
LYS A 178
TYR A 181
GLU A 284
 SEP  A 177 ( 4.9A)
SEP  A 177 ( 2.7A)
SEP  A 177 ( 4.1A)
None
 1.34A 4x61A-3tmpA:
undetectable		 4x61A-3tmpA:
14.35
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN
(Mus
musculus;
Mus
musculus) 		3 / 3 ARG H  95
ASP H 101
TYR L  49
 SEP  P 396 ( 3.7A)
None
None
 0.96A 4yo9B-6bb4H:
undetectable		 4yo9B-6bb4H:
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.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 ALA A 570
TYR A 571
HIS A 432
PRO A 509
 SEP  A 569 ( 3.7A)
NAG  A1138 (-4.9A)
None
None
 1.10A 4ze2A-4iugA:
undetectable		 4ze2A-4iugA:
20.27
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 1gz2 OVOCLEIDIN-17
(Gallus
gallus) 		5 / 8 ALA A  71
VAL A  75
PHE A  19
GLY A  70
ALA A  60
 None
None
None
None
SEP  A  61 ( 3.7A)
 1.35A 4zjzA-1gz2A:
undetectable		 4zjzA-1gz2A:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 1gz2 OVOCLEIDIN-17
(Gallus
gallus) 		5 / 8 ALA A  71
VAL A  75
PHE A  19
GLY A  70
ALA A  60
 None
None
None
None
SEP  A  61 ( 3.7A)
 1.37A 4zjzB-1gz2A:
undetectable		 4zjzB-1gz2A:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		3 / 3 ASN A 440
SER A  11
ARG A 346
 G6Q  A 544 ( 3.6A)
G6Q  A 544 (-2.4A)
SEP  A 104 ( 2.9A)
 0.95A 5b2qA-4hjhA:
2.2		 5b2qA-4hjhA:
14.98
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		4 / 5 THR A 283
GLY A 279
HIS A 326
ASP A 258
 None
None
SEP  A 101 ( 3.7A)
None
 0.95A 5c0oH-3i3wA:
undetectable		 5c0oH-3i3wA:
19.91
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3i3w PHOSPHOGLUCOSAMINE
MUTASE
(Francisella
tularensis) 		4 / 6 GLU A  13
GLY A 216
ARG A 244
GLY A 240
 None
None
SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
 0.84A 5cdnA-3i3wA:
2.5
5cdnB-3i3wA:
undetectable		 5cdnA-3i3wA:
23.52
5cdnB-3i3wA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		4 / 8 ASP A 357
ASP A  42
ILE A 110
ASP A  91
 ZN  A 902 (-2.3A)
ZN  A 902 ( 2.1A)
None
SEP  A  92 (-3.2A)
 0.95A 5cfsA-1zefA:
undetectable		 5cfsA-1zefA:
17.01
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.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4
(Homo
sapiens) 		4 / 6 TYR A 492
VAL A 496
PRO A 557
ALA A 483
 SEP  A 474 ( 4.4A)
None
None
None
 0.81A 5cu6A-4fieA:
25.2		 5cu6A-4fieA:
23.44
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.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4
(Homo
sapiens) 		4 / 6 TYR A 492
VAL A 496
PRO A 557
ALA A 483
 SEP  A 474 ( 4.2A)
None
None
None
 0.82A 5cu6A-4xbrA:
24.9		 5cu6A-4xbrA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 5lpy PROTEIN
BRASSINOSTEROID
INSENSITIVE 1
(Arabidopsis
thaliana) 		5 / 12 ASN A1014
ASP A1068
LEU A1041
ILE A1006
HIS A 998
 ATP  A1200 (-3.6A)
None
SEP  A1042 ( 3.7A)
None
None
 1.44A 5dv4A-5lpyA:
undetectable		 5dv4A-5lpyA:
19.95
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.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 5lpz PROTEIN
BRASSINOSTEROID
INSENSITIVE 1
(Arabidopsis
thaliana) 		5 / 12 ASN A1014
ASP A1068
LEU A1041
ILE A1006
HIS A 998
 ADP  A1200 (-3.6A)
None
SEP  A1042 ( 3.7A)
None
None
 1.42A 5dv4A-5lpzA:
undetectable		 5dv4A-5lpzA:
20.98
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 3qpd CUTINASE 1
(Aspergillus
oryzae) 		4 / 8 TYR A 197
ALA A  47
GLY A 128
GLY A 123
 None
SEP  A 126 ( 3.9A)
SEP  A 126 ( 3.8A)
None
 0.91A 5e26C-3qpdA:
2.4
5e26D-3qpdA:
undetectable		 5e26C-3qpdA:
19.72
5e26D-3qpdA:
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		4 / 6 ALA S  19
THR S  20
VAL S  23
VAL A 301
 None
None
SEP  S  46 ( 4.4A)
None
 0.93A 5eclA-3oqnS:
undetectable		 5eclA-3oqnS:
10.91
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		4 / 6 ALA S  19
THR S  20
VAL S  23
VAL A 301
 None
None
SEP  S  46 ( 4.4A)
None
 0.84A 5eclD-3oqnS:
undetectable		 5eclD-3oqnS:
10.91
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		4 / 6 ILE A  86
ALA S  19
THR S  20
VAL S  23
 None
None
None
SEP  S  46 ( 4.4A)
 0.85A 5eclD-3oqnA:
undetectable		 5eclD-3oqnA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3oqn CATABOLITE CONTROL
PROTEIN A
PHOSPHOCARRIER
PROTEIN HPR
(Bacillus
subtilis;
Bacillus
subtilis) 		4 / 8 ILE A  86
ALA S  19
THR S  20
VAL S  23
 None
None
None
SEP  S  46 ( 4.4A)
 0.73A 5ecnD-3oqnA:
1.9		 5ecnD-3oqnA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 8 TYR A 240
ILE A 135
PHE A  95
GLY A 167
LEU A 197
 None
None
None
SEP  A 165 ( 4.0A)
None
 1.48A 5esfA-3ga7A:
undetectable		 5esfA-3ga7A:
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3efz 14-3-3 PROTEIN
(Cryptosporidium
parvum) 		5 / 9 ARG A  72
ALA A 266
PHE A 267
PRO A 193
LEU A 244
 None
SEP  A 265 ( 3.7A)
None
None
None
 1.44A 5i73A-3efzA:
5.4		 5i73A-3efzA:
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2i0e PROTEIN KINASE
C-BETA II
(Homo
sapiens) 		3 / 3 LYS A 391
LEU A 403
ILE A 462
 SEP  A 660 ( 3.7A)
None
None
 0.76A 5kc0A-2i0eA:
undetectable		 5kc0A-2i0eA:
21.08
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2i0e PROTEIN KINASE
C-BETA II
(Homo
sapiens) 		3 / 3 LYS A 391
LEU A 403
ILE A 462
 SEP  A 660 ( 3.7A)
None
None
 0.80A 5kc4A-2i0eA:
undetectable		 5kc4A-2i0eA:
20.22
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 HIS A 133
ILE A 131
VAL A 132
ARG A  54
 None
None
None
SEP  A 172 ( 3.2A)
 1.12A 5kkzK-4euuA:
undetectable
5kkzQ-4euuA:
undetectable		 5kkzK-4euuA:
21.89
5kkzQ-4euuA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1
(Arabidopsis
thaliana) 		3 / 3 LYS A 291
GLN A 283
ASN A 288
 SEP  A 290 ( 3.0A)
None
None
 0.90A 5l2tA-3ulzA:
4.4		 5l2tA-3ulzA:
28.06
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.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		 4q9z HUMAN PROTEIN KINASE
C THETA
(Homo
sapiens) 		4 / 6 LYS A 409
LEU A 411
LEU A 454
THR A 447
 None
None
None
SEP  A 695 ( 4.8A)
 0.69A 5l4iA-4q9zA:
undetectable		 5l4iA-4q9zA:
14.89
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2
(Homo
sapiens) 		5 / 12 LEU A 466
GLU A 494
PHE A 495
HIS A 532
GLY A 529
 None
None
None
SEP  C 732 ( 4.9A)
None
 0.97A 5l6eA-5n7fA:
undetectable		 5l6eA-5n7fA:
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.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1
(Rattus
norvegicus) 		5 / 12 LEU A  40
ASP A 357
THR A  95
HIS A 153
PHE A 309
 None
SEP  A  92 ( 3.8A)
SEP  A  92 ( 4.2A)
SEP  A  92 ( 4.9A)
None
 1.48A 5m5kB-4kjdA:
undetectable		 5m5kB-4kjdA:
22.53
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.09A 5n0oA-1zefA:
2.3		 5n0oA-1zefA:
21.13
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.10A 5n0oB-1zefA:
2.5		 5n0oB-1zefA:
21.13
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A 158
VAL A 145
SER A 155
ALA A 154
 None
None
None
MG  A 903 (-2.1A)
SEP  A  92 ( 3.7A)
 1.16A 5n0oB-1zefA:
2.5		 5n0oB-1zefA:
21.13
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.09A 5n0rA-1zefA:
2.3		 5n0rA-1zefA:
21.17
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.09A 5n0wA-1zefA:
2.3		 5n0wA-1zefA:
21.17
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.09A 5n0wB-1zefA:
2.4		 5n0wB-1zefA:
21.17
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.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.10A 5n0xA-1zefA:
3.0		 5n0xA-1zefA:
21.17
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.12A 5n0xB-1zefA:
2.3		 5n0xB-1zefA:
21.17
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.
5OAJ_E_TKTE601_1
()		 3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		4 / 8 GLU A 264
CYH A 278
TYR A 269
TYR A 181
 None
SEP  A 177 ( 4.8A)
SEP  A 177 ( 4.9A)
SEP  A 177 ( 4.1A)
 1.27A 5oajD-3tmpA:
undetectable
5oajE-3tmpA:
undetectable		 5oajD-3tmpA:
19.54
5oajE-3tmpA:
19.54
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4
(Homo
sapiens) 		4 / 5 TYR A 492
VAL A 496
PRO A 557
ALA A 483
 SEP  A 474 ( 4.4A)
None
None
None
 0.76A 5otrA-4fieA:
24.9		 5otrA-4fieA:
23.46
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4
(Homo
sapiens) 		4 / 5 TYR A 492
VAL A 496
PRO A 557
ALA A 483
 SEP  A 474 ( 4.2A)
None
None
None
 0.77A 5otrA-4xbrA:
24.7		 5otrA-4xbrA:
25.18
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.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 1l7p PHOSPHOSERINE
PHOSPHATASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A 167
LEU A   7
VAL A  94
ALA A 120
GLY A 101
 SEP  A 770 ( 4.4A)
None
None
None
SEP  A 770 ( 4.4A)
 1.11A 5uxdB-1l7pA:
undetectable		 5uxdB-1l7pA:
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		3 / 3 GLY A 201
THR A  95
PRO A 156
 None
SEP  A  92 ( 4.1A)
None
 0.60A 5v5zA-1zefA:
undetectable		 5v5zA-1zefA:
22.80
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.
5WGQ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 4crs SERINE/THREONINE-PRO
TEIN KINASE N2
(Homo
sapiens) 		5 / 9 ALA A 759
GLU A 756
LEU A 851
GLY A 844
LEU A 846
 SEP  A 755 ( 3.9A)
None
None
None
None
 1.46A 5wgqA-4crsA:
undetectable		 5wgqA-4crsA:
17.03
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4otd SERINE/THREONINE-PRO
TEIN KINASE N1
(Homo
sapiens) 		4 / 6 LEU A 636
PHE A 621
PHE A 623
LEU A 921
 None
None
None
SEP  A 922 ( 4.5A)
 1.17A 5x19P-4otdA:
undetectable		 5x19P-4otdA:
22.34
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 5x0e FREE SERINE KINASE
(Thermococcus
kodakarensis) 		4 / 8 HIS A  72
PHE A  50
HIS A  29
THR A 223
 AMP  A 301 ( 3.6A)
AMP  A 301 (-3.8A)
SEP  A 302 ( 4.8A)
SEP  A 302 (-3.9A)
 1.35A 5yj1G-5x0eA:
undetectable
5yj1Y-5x0eA:
undetectable		 5yj1G-5x0eA:
16.74
5yj1Y-5x0eA:
16.74
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 2du3 O-PHOSPHOSERYL-TRNA
SYNTHETASE
(Archaeoglobus
fulgidus) 		3 / 3 TYR A 309
HIS A 186
MET A 187
 None
SEP  A1001 (-3.8A)
None
 1.21A 6af6A-2du3A:
undetectable		 6af6A-2du3A:
20.70
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ga7 ACETYL ESTERASE
(Salmonella
enterica) 		5 / 12 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.32A 6aphA-3ga7A:
4.8		 6aphA-3ga7A:
20.26
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4
(Homo
sapiens) 		4 / 6 VAL A 476
LEU A 308
MET A 395
ARG A 371
 SEP  A 474 ( 4.4A)
None
M77  A 601 ( 2.9A)
None
 0.99A 6brdB-5vefA:
1.2		 6brdB-5vefA:
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 GLY A  93
SER A  80
GLN A 455
VAL A 437
ASP A 316
 SEP  A  92 ( 2.4A)
None
None
None
ZN  A 901 ( 1.9A)
 1.23A 6bxlB-1zefA:
undetectable		 6bxlB-1zefA:
20.24
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.
6F3M_B_ADNB502_1
(-)		 1p22 BETA-CATENIN
F-BOX/WD-REPEAT
PROTEIN 1A
(Homo
sapiens) 		5 / 12 ASP A 366
GLU A 348
HIS A 346
LEU A 351
GLY C  34
 None
None
None
SEP  C  33 ( 4.7A)
SEP  C  33 ( 2.4A)
 1.20A 6f3mB-1p22A:
0.0		 6f3mB-1p22A:
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.
6F3M_D_ADND502_1
(-)		 1p22 BETA-CATENIN
F-BOX/WD-REPEAT
PROTEIN 1A
(Homo
sapiens) 		5 / 12 ASP A 366
GLU A 348
HIS A 346
LEU A 351
GLY C  34
 None
None
None
SEP  C  33 ( 4.7A)
SEP  C  33 ( 2.4A)
 1.20A 6f3mD-1p22A:
0.0		 6f3mD-1p22A:
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.
6GNG_B_QPSB601_2
(-)		 4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3
(Mus
musculus) 		5 / 12 GLY A 186
GLY A 185
LEU A 227
GLY A 222
PRO A 251
 SEP  A 184 ( 3.2A)
SEP  A 184 ( 2.4A)
None
None
None
 1.05A 6gngB-4m69A:
undetectable		 6gngB-4m69A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 2n04 DNAJ HOMOLOG
SUBFAMILY C MEMBER 5
(Homo
sapiens) 		3 / 3 ASP A  55
SER A  15
SER A  12
 SEP  A  10 ( 3.7A)
None
SEP  A  10 ( 3.4A)
 0.65A 6mxtA-2n04A:
undetectable		 6mxtA-2n04A:
13.05
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ASP A 273
LEU A  40
ALA A 154
HIS A 358
ASP A 316
 None
None
SEP  A  92 ( 3.7A)
ZN  A 902 (-3.2A)
ZN  A 901 ( 1.9A)
 1.31A 6n91A-1zefA:
undetectable		 6n91A-1zefA:
10.93
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 1zef ALKALINE PHOSPHATASE
(Homo
sapiens) 		5 / 12 ASP A 273
LEU A  40
ALA A 154
HIS A 358
ASP A 316
 None
None
SEP  A  92 ( 3.7A)
ZN  A 902 (-3.2A)
ZN  A 901 ( 1.9A)
 1.27A 6n91B-1zefA:
undetectable		 6n91B-1zefA:
10.93