SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DMS'


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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS
(Fasciola
hepatica) 		4 / 7 TYR A  10
PHE A  11
GLY A  15
ARG A  16
 DMS  A1214 ( 4.3A)
GSH  A 301 (-4.4A)
DMS  A1214 (-3.0A)
GDS  A 300 ( 4.1A)
 0.80A 11gsB-2wduA:
24.4		 11gsB-2wduA:
29.15
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.02A 1axwA-4pg6A:
undetectable		 1axwA-4pg6A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 9 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.56A 1bkfA-4lawA:
19.3		 1bkfA-4lawA:
23.98
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.
1BKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 9 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.60A 1bkfA-4lawA:
19.3		 1bkfA-4lawA:
23.98
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 8 THR A  14
GLY A  18
ASP A  19
TYR A 123
 ACO  A 201 ( 4.6A)
DMS  A 208 (-3.5A)
None
DMS  A 208 (-4.1A)
 1.01A 1bu5B-3x1jA:
2.8		 1bu5B-3x1jA:
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.
1C9H_A_RAPA108_1
(FKBP12.6)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 (-4.3A)
 0.50A 1c9hA-4lawA:
18.7		 1c9hA-4lawA:
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.
1C9H_A_RAPA108_1
(FKBP12.6)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
None
DMS  A 304 (-4.3A)
 0.57A 1c9hA-4lawA:
18.7		 1c9hA-4lawA:
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		 2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS
(Fasciola
hepatica) 		5 / 12 TYR A  93
LEU A 135
LEU A 138
VAL A 139
SER A 142
 DMS  A1212 ( 4.7A)
None
None
None
None
 1.04A 1db1A-2wduA:
undetectable		 1db1A-2wduA:
23.48
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.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		10 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.69A 1fapA-4lawA:
19.4		 1fapA-4lawA:
24.39
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.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
None
DMS  A 304 (-4.3A)
 0.87A 1fapA-4lawA:
19.4		 1fapA-4lawA:
24.39
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.
1FIQ_C_SALC1335_1
(XANTHINE OXIDASE)		 2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE
(Plasmodium
vivax) 		4 / 8 LEU A 409
VAL A 405
LEU A 277
ALA A 279
 None
None
None
DMS  A 999 ( 4.6A)
 0.92A 1fiqC-2yneA:
0.4		 1fiqC-2yneA:
18.51
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.55A 1fkbA-4lawA:
19.6		 1fkbA-4lawA:
24.39
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A 122
 None
None
None
None
DMS  A 304 (-3.5A)
None
 0.85A 1fkbA-4lawA:
19.6		 1fkbA-4lawA:
24.39
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.55A 1fkbA-4lawA:
19.6		 1fkbA-4lawA:
24.39
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.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.78A 1fkfA-4lawA:
19.3		 1fkfA-4lawA:
24.39
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.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.83A 1fkfA-4lawA:
19.3		 1fkfA-4lawA:
24.39
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.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.78A 1fkjA-4lawA:
19.4		 1fkjA-4lawA:
24.39
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.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.83A 1fkjA-4lawA:
19.4		 1fkjA-4lawA:
24.39
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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.56A 1fklA-4lawA:
19.6		 1fklA-4lawA:
24.39
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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A 122
 None
None
None
None
DMS  A 304 (-3.5A)
None
 0.86A 1fklA-4lawA:
19.6		 1fklA-4lawA:
24.39
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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.57A 1fklA-4lawA:
19.6		 1fklA-4lawA:
24.39
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		7 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
VAL A 422
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.76A 1fmoE-6c0tA:
41.6		 1fmoE-6c0tA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens) 		4 / 6 ASN A 509
ILE A 500
SER A 505
ASN A 601
 90V  A 804 ( 4.6A)
DMS  A 805 (-4.9A)
None
90V  A 804 (-3.8A)
 1.05A 1h7xA-6ek6A:
undetectable		 1h7xA-6ek6A:
6.26
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.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens) 		4 / 6 ASN A 509
ILE A 500
SER A 505
ASN A 601
 90V  A 804 ( 4.6A)
DMS  A 805 (-4.9A)
None
90V  A 804 (-3.8A)
 1.05A 1h7xB-6ek6A:
undetectable		 1h7xB-6ek6A:
6.26
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.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens) 		4 / 6 ASN A 509
ILE A 500
SER A 505
ASN A 601
 90V  A 804 ( 4.6A)
DMS  A 805 (-4.9A)
None
90V  A 804 (-3.8A)
 1.06A 1h7xC-6ek6A:
undetectable		 1h7xC-6ek6A:
6.26
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.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens) 		4 / 6 ASN A 509
ILE A 500
SER A 505
ASN A 601
 90V  A 804 ( 4.6A)
DMS  A 805 (-4.9A)
None
90V  A 804 (-3.8A)
 1.06A 1h7xD-6ek6A:
undetectable		 1h7xD-6ek6A:
6.26
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.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS
(Fasciola
hepatica) 		5 / 12 TYR A  93
LEU A 135
LEU A 138
VAL A 139
SER A 142
 DMS  A1212 ( 4.7A)
None
None
None
None
 1.09A 1ie9A-2wduA:
undetectable		 1ie9A-2wduA:
23.48
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 LEU A 366
VAL A 374
ALA A 388
GLU A 409
MET A 413
GLY A 444
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
None
None
 0.72A 1iepB-6c0tA:
17.1		 1iepB-6c0tA:
13.72
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 4yrp HISTIDYL-TRNA
SYNTHETASE
(Trypanosoma
cruzi) 		4 / 8 LEU A 377
SER A 197
ASP A  73
THR A  78
 None
DMS  A 503 (-3.6A)
None
None
 1.05A 1ig3A-4yrpA:
undetectable
1ig3B-4yrpA:
2.2		 1ig3A-4yrpA:
19.47
1ig3B-4yrpA:
19.47
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.
1K2S_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.41A 1k2sA-3sxfA:
undetectable
1k2sB-3sxfA:
undetectable		 1k2sA-3sxfA:
20.38
1k2sB-3sxfA:
20.38
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.
1K2S_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.39A 1k2sA-3sxfA:
undetectable
1k2sB-3sxfA:
undetectable		 1k2sA-3sxfA:
20.38
1k2sB-3sxfA:
20.38
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.
1K2U_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.43A 1k2uA-3sxfA:
undetectable
1k2uB-3sxfA:
undetectable		 1k2uA-3sxfA:
20.38
1k2uB-3sxfA:
20.38
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.
1M00_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 1m00A-3sxfA:
undetectable
1m00B-3sxfA:
undetectable		 1m00A-3sxfA:
20.38
1m00B-3sxfA:
20.38
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 11 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.37A 1ohrA-4g09A:
undetectable		 1ohrA-4g09A:
12.56
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.
1OM5_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 8 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.43A 1om5A-3sxfA:
undetectable
1om5B-3sxfA:
undetectable		 1om5A-3sxfA:
20.57
1om5B-3sxfA:
20.57
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 VAL A 374
ALA A 388
GLU A 409
MET A 413
VAL A 422
GLY A 444
 EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
None
None
None
 0.86A 1opjB-6c0tA:
16.4		 1opjB-6c0tA:
13.72
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		5 / 12 LEU A  94
MET A  34
MET A  29
ILE A  19
ILE A  77
 None
DMS  A 215 ( 3.9A)
None
None
None
 1.29A 1osvB-3ediA:
undetectable		 1osvB-3ediA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6H_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 1p6hA-3sxfA:
undetectable
1p6hB-3sxfA:
undetectable		 1p6hA-3sxfA:
20.57
1p6hB-3sxfA:
20.57
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.
1P6K_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 1p6kA-3sxfA:
undetectable
1p6kB-3sxfA:
undetectable		 1p6kA-3sxfA:
20.45
1p6kB-3sxfA:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PBK_A_RAPA225_1
(FKBP25)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 12 TYR A  57
ASP A  68
GLY A  82
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.95A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PBK_A_RAPA225_1
(FKBP25)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
GLY A  84
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.65A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PBK_A_RAPA225_1
(FKBP25)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
GLY A  84
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.50A 1pbkA-4lawA:
19.2		 1pbkA-4lawA:
33.15
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.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 9 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.60A 1pk7A-4mchA:
31.6		 1pk7A-4mchA:
25.82
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.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 10 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.57A 1pk7C-4mchA:
31.9		 1pk7C-4mchA:
25.82
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.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 10 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.53A 1pk9A-4mchA:
31.7		 1pk9A-4mchA:
25.82
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 9 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.54A 1pk9B-4mchA:
32.0		 1pk9B-4mchA:
25.82
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.57A 1pk9C-4mchA:
30.9		 1pk9C-4mchA:
25.82
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 10 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.55A 1pw7A-4mchA:
31.6		 1pw7A-4mchA:
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 9 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.57A 1pw7B-4mchA:
31.8		 1pw7B-4mchA:
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 9 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.70A 1q6iA-4lawA:
16.7		 1q6iA-4lawA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 9 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.63A 1q6iA-4lawA:
16.7		 1q6iA-4lawA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.75A 1q6iB-4lawA:
16.4		 1q6iB-4lawA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 12 ILE A 122
ILE A  25
ILE A 105
VAL A 129
ILE A  87
 None
None
None
None
DMS  A 304 (-3.8A)
 1.28A 1r5lA-4lawA:
undetectable		 1r5lA-4lawA:
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.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		3 / 3 ASP A 281
PHE A 226
ASN A 265
 DMS  A 521 ( 4.9A)
None
None
 0.73A 1sg9B-5sytA:
undetectable		 1sg9B-5sytA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 3tmc UNCHARACTERIZED
PROTEIN
(Bdellovibrio
bacteriovorus) 		4 / 7 MET A 267
ASP A 268
LYS A 145
HIS A 149
 None
DMS  A 312 (-4.0A)
None
DMS  A 312 (-4.0A)
 1.00A 1t03A-3tmcA:
undetectable		 1t03A-3tmcA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.76A 1tcoC-4lawA:
19.1		 1tcoC-4lawA:
24.39
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.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.87A 1tcoC-4lawA:
19.1		 1tcoC-4lawA:
24.39
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.07A 1tlsA-4pg6A:
undetectable		 1tlsA-4pg6A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.10A 1tlsB-4pg6A:
undetectable		 1tlsB-4pg6A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.06A 1tsnA-4pg6A:
undetectable		 1tsnA-4pg6A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 ALA A 119
LYS A 121
GLU A 136
LEU A 140
LEU A 215
HIS A 223
 W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
None
None
None
 0.75A 1uwhB-5myvA:
19.7		 1uwhB-5myvA:
23.59
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.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		5 / 12 VAL A 374
ALA A 388
GLU A 409
CYH A 441
LEU A 475
 EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
EE4  A 701 (-4.6A)
None
 0.53A 1uwjA-6c0tA:
7.6		 1uwjA-6c0tA:
15.87
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.26A 1v7zA-5sytA:
undetectable		 1v7zA-5sytA:
18.50
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.26A 1v7zB-5sytA:
undetectable		 1v7zB-5sytA:
18.50
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.27A 1v7zC-5sytA:
undetectable		 1v7zC-5sytA:
18.50
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.26A 1v7zD-5sytA:
undetectable		 1v7zD-5sytA:
18.50
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.26A 1v7zE-5sytA:
undetectable		 1v7zE-5sytA:
18.50
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.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.49A 1vhwA-4mchA:
31.9
1vhwD-4mchA:
31.9		 1vhwA-4mchA:
25.70
1vhwD-4mchA:
25.70
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.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 9 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.45A 1vhwB-4mchA:
32.0
1vhwF-4mchA:
31.6		 1vhwB-4mchA:
25.70
1vhwF-4mchA:
25.70
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.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.49A 1vhwC-4mchA:
32.0
1vhwE-4mchA:
31.8		 1vhwC-4mchA:
25.70
1vhwE-4mchA:
25.70
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.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.49A 1vhwA-4mchA:
31.9
1vhwD-4mchA:
31.9		 1vhwA-4mchA:
25.70
1vhwD-4mchA:
25.70
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.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.50A 1vhwC-4mchA:
32.0
1vhwE-4mchA:
31.8		 1vhwC-4mchA:
25.70
1vhwE-4mchA:
25.70
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.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 10 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.46A 1vhwB-4mchA:
32.0
1vhwF-4mchA:
31.6		 1vhwB-4mchA:
25.70
1vhwF-4mchA:
25.70
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 5kta FDHC
(Acinetobacter
nosocomialis) 		5 / 12 TYR A  65
ALA A 118
GLY A 119
LEU A 123
PHE A  85
 DMS  A 204 (-4.5A)
None
None
None
None
 1.17A 1vpoH-5ktaA:
undetectable
1vpoL-5ktaA:
undetectable		 1vpoH-5ktaA:
20.09
1vpoL-5ktaA:
20.61
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 3d7r ESTERASE
(Staphylococcus
aureus) 		5 / 12 GLY A 152
GLY A 154
LEU A 157
LEU A  98
HIS A  95
 None
None
None
DMS  A1417 (-3.9A)
None
 1.01A 1ya4C-3d7rA:
15.2		 1ya4C-3d7rA:
20.59
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.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.74A 1yatA-4lawA:
20.8		 1yatA-4lawA:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.80A 1yatA-4lawA:
20.8		 1yatA-4lawA:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 5kta FDHC
(Acinetobacter
nosocomialis) 		4 / 8 TRP A  50
ARG A  28
TYR A  65
THR A  79
 DMS  A 204 (-3.4A)
SO4  A 202 (-3.1A)
DMS  A 204 (-4.5A)
None
 1.19A 1zlqB-5ktaA:
undetectable		 1zlqB-5ktaA:
17.72
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.
1ZP4_B_C2FB996_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 5aih LIMONENE-1,2-EPOXIDE
HYDROLASE
(unidentified) 		5 / 10 ASP A  82
SER A 106
THR A  78
LEU A  26
ARG A  43
 None
None
None
None
DMS  A 202 (-3.8A)
 1.29A 1zp4B-5aihA:
0.0		 1zp4B-5aihA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 1zzqA-3sxfA:
undetectable
1zzqB-3sxfA:
undetectable		 1zzqA-3sxfA:
20.46
1zzqB-3sxfA:
20.46
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.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 6cfp UBIQUITIN-LIKE
PROTEIN
SMT3,POLYMERASE
ACIDIC PROTEIN
(Influenza
A
virus;
Saccharomyces
cerevisiae) 		5 / 12 LEU A 470
ASN A 471
LEU A 469
ALA A 472
LEU A 511
 None
None
DMS  A 802 (-4.0A)
None
None
 1.38A 2aa6A-6cfpA:
undetectable		 2aa6A-6cfpA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 11 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.47A 2aquB-4g09A:
undetectable		 2aquB-4g09A:
12.56
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 2ciy CHLOROPEROXIDASE
(Leptoxyphium
fumago) 		5 / 9 LEU A  97
PHE A 103
LEU A  91
ARG A  50
LEU A  53
 HEM  A 396 (-4.1A)
DMS  A3036 (-3.8A)
None
None
HEM  A 396 ( 4.3A)
 1.40A 2bxeA-2ciyA:
undetectable		 2bxeA-2ciyA:
19.34
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		 6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens) 		5 / 12 ILE A 500
LEU A 561
VAL A 522
GLU A 531
LEU A 530
 DMS  A 805 (-4.9A)
None
None
DMS  A 805 ( 4.6A)
None
 1.30A 2bxfB-6ek6A:
undetectable		 2bxfB-6ek6A:
7.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 3h0u PUTATIVE ENOYL-COA
HYDRATASE
(Streptomyces
avermitilis) 		5 / 12 ALA A 121
GLY A 120
GLY A 122
ALA A 154
PHE A 100
 None
DMS  A   1 (-3.3A)
None
None
None
 1.09A 2c49A-3h0uA:
undetectable		 2c49A-3h0uA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CIZ_A_ACTA1320_0
(CHLOROPEROXIDASE)		 2ciy CHLOROPEROXIDASE
(Leptoxyphium
fumago) 		6 / 6 ALA A  71
PHE A 103
ILE A 179
VAL A 182
GLU A 183
PHE A 186
 HEM  A 396 (-3.6A)
DMS  A3036 (-3.8A)
DMS  A3036 (-4.8A)
MAN  A 741 ( 4.3A)
CYN  A1802 ( 3.6A)
HEM  A 396 ( 4.0A)
 0.24A 2cizA-2ciyA:
53.5		 2cizA-2ciyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 2ciy CHLOROPEROXIDASE
(Leptoxyphium
fumago) 		5 / 5 LEU A  70
ASN A  74
PHE A 103
VAL A 182
ALA A 267
 DMS  A3036 (-3.9A)
DMS  A3036 (-3.9A)
DMS  A3036 (-3.8A)
MAN  A 741 ( 4.3A)
EDO  A 802 (-4.1A)
 0.31A 2cizA-2ciyA:
53.5		 2cizA-2ciyA:
100.00
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.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.51A 2dg3A-4lawA:
19.3		 2dg3A-4lawA:
24.39
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.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.55A 2dg3A-4lawA:
19.3		 2dg3A-4lawA:
24.39
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 (-4.3A)
 0.56A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 11 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A 122
 None
None
None
None
DMS  A 304 (-3.5A)
None
 0.84A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
DMS  A 304 (-4.3A)
 0.57A 2dg4A-4lawA:
18.7		 2dg4A-4lawA:
23.98
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 (-4.3A)
 0.52A 2dg9A-4lawA:
19.0		 2dg9A-4lawA:
23.98
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 0.92A 2dg9A-4lawA:
19.0		 2dg9A-4lawA:
23.98
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
DMS  A 304 (-4.3A)
 0.47A 2dg9A-4lawA:
19.0		 2dg9A-4lawA:
23.98
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.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.75A 2fkeA-4lawA:
19.3		 2fkeA-4lawA:
24.39
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.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.80A 2fkeA-4lawA:
19.3		 2fkeA-4lawA:
24.39
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
ASP A 484
LYS A 486
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.4A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.55A 2fumA-6c0tA:
20.6		 2fumA-6c0tA:
13.76
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
MET A 438
LYS A 486
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
EE4  A 701 ( 3.8A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.48A 2fumB-6c0tA:
20.0		 2fumB-6c0tA:
13.76
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		7 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
MET A 438
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
EE4  A 701 ( 3.8A)
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.64A 2fumC-6c0tA:
19.4		 2fumC-6c0tA:
13.76
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
GLY A 369
VAL A 374
ALA A 388
MET A 438
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
EE4  A 701 ( 3.8A)
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.71A 2fumD-6c0tA:
24.2		 2fumD-6c0tA:
13.76
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
MET A 438
LYS A 486
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
EE4  A 701 ( 3.8A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.73A 2fumD-6c0tA:
24.2		 2fumD-6c0tA:
13.76
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 8 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 2g6hA-3sxfA:
undetectable
2g6hB-3sxfA:
undetectable		 2g6hA-3sxfA:
20.58
2g6hB-3sxfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 2g6mA-3sxfA:
undetectable
2g6mB-3sxfA:
undetectable		 2g6mA-3sxfA:
20.58
2g6mB-3sxfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6M_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 2g6mA-3sxfA:
undetectable
2g6mB-3sxfA:
undetectable		 2g6mA-3sxfA:
20.58
2g6mB-3sxfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3tmc UNCHARACTERIZED
PROTEIN
(Bdellovibrio
bacteriovorus) 		5 / 12 LEU A 285
ASP A 268
VAL A 154
HIS A 150
ALA A 258
 None
DMS  A 312 (-4.0A)
None
FE  A 310 ( 3.3A)
None
 1.31A 2g70B-3tmcA:
undetectable		 2g70B-3tmcA:
22.07
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.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 3utn THIOSULFATE
SULFURTRANSFERASE
TUM1
(Saccharomyces
cerevisiae) 		4 / 6 LEU X  85
SER X  83
ASP X  80
ASP X  79
 DMS  X 409 (-4.0A)
None
None
None
 1.22A 2j2pE-3utnX:
undetectable
2j2pF-3utnX:
undetectable		 2j2pE-3utnX:
19.69
2j2pF-3utnX:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J5M_A_ACTA1321_0
(CHLOROPEROXIDASE)		 2ciy CHLOROPEROXIDASE
(Leptoxyphium
fumago) 		6 / 6 LEU A  70
ASN A  74
PHE A 103
ILE A 179
VAL A 182
ALA A 267
 DMS  A3036 (-3.9A)
DMS  A3036 (-3.9A)
DMS  A3036 (-3.8A)
DMS  A3036 (-4.8A)
MAN  A 741 ( 4.3A)
EDO  A 802 (-4.1A)
 0.18A 2j5mA-2ciyA:
53.4		 2j5mA-2ciyA:
100.00
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.18A 2j7xA-3x1jA:
undetectable		 2j7xA-3x1jA:
23.72
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.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		 3tmc UNCHARACTERIZED
PROTEIN
(Bdellovibrio
bacteriovorus) 		5 / 9 THR A 272
VAL A 152
THR A 156
ILE A 140
VAL A 137
 DMS  A 312 (-4.3A)
None
None
None
None
 1.20A 2l8mA-3tmcA:
undetectable		 2l8mA-3tmcA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_A_ACTA148_0
(UPF0066 PROTEIN
AF_0241)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		3 / 3 VAL A 239
GLU A 330
GLU A 357
 DMS  A 504 ( 4.7A)
None
DMS  A 504 ( 3.6A)
 0.80A 2nv4A-4g09A:
undetectable		 2nv4A-4g09A:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 3tmc UNCHARACTERIZED
PROTEIN
(Bdellovibrio
bacteriovorus) 		4 / 8 THR A 272
VAL A 154
THR A 153
ILE A 147
 DMS  A 312 (-4.3A)
None
DMS  A 312 (-2.9A)
None
 0.90A 2qbmA-3tmcA:
undetectable		 2qbmA-3tmcA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
(Zaire
ebolavirus) 		5 / 12 ALA A  82
GLU A 178
LEU A 122
PRO A 123
TYR A 232
 GOL  A 506 ( 4.7A)
GOL  A 506 (-4.0A)
None
DMS  A 512 ( 4.5A)
None
 1.20A 2qk8A-6f6sA:
undetectable		 2qk8A-6f6sA:
18.83
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.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
PHE A  67
ASP A  68
VAL A  86
ILE A  87
TRP A  90
TYR A 113
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
 0.80A 2vcdA-4lawA:
14.0		 2vcdA-4lawA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 11 TYR A  57
PHE A  67
PHE A  77
TRP A  90
TYR A 113
 None
None
None
DMS  A 304 ( 4.0A)
None
 1.29A 2vcdA-4lawA:
14.0		 2vcdA-4lawA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
PHE A  67
ARG A  73
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.87A 2vn1A-4lawA:
21.0		 2vn1A-4lawA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
PHE A  67
ASP A  68
ARG A  73
PHE A  77
VAL A  86
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.92A 2vn1A-4lawA:
21.0		 2vn1A-4lawA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.74A 2vn1B-4lawA:
20.9		 2vn1B-4lawA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.75A 2vn1B-4lawA:
20.9		 2vn1B-4lawA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 3i1a SPECTINOMYCIN
PHOSPHOTRANSFERASE
(Legionella
pneumophila) 		4 / 9 ARG A 187
PHE A 317
VAL A 323
GLU A 324
 DMS  A 341 (-4.4A)
None
None
None
 0.86A 2vufA-3i1aA:
2.3		 2vufA-3i1aA:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		 2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS
(Fasciola
hepatica) 		5 / 5 TYR A  10
GLY A  15
ARG A  16
TYR A 106
TYR A 110
 DMS  A1214 ( 4.3A)
DMS  A1214 (-3.0A)
GDS  A 300 ( 4.1A)
None
GDS  A 300 (-4.6A)
 0.17A 2wb9A-2wduA:
36.4		 2wb9A-2wduA:
100.00
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4y99 TROPONIN I, CARDIAC
MUSCLE
TROPONIN T, CARDIAC
MUSCLE
(Homo
sapiens) 		4 / 8 LEU C  93
LEU B 229
LYS B 232
ALA B 233
 None
None
DMS  B 301 (-2.7A)
None
 1.05A 2wekA-4y99C:
undetectable		 2wekA-4y99C:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		4 / 7 ARG A 157
GLY A 139
VAL A  53
ASP A 141
 DMS  A 302 (-4.0A)
None
None
None
 0.80A 2y05A-4lawA:
undetectable
2y05B-4lawA:
undetectable		 2y05A-4lawA:
21.62
2y05B-4lawA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  98
ALA A 119
LYS A 121
GLU A 136
VAL A 157
GLY A 181
LEU A 232
ALA A 540
 W4A  A 716 (-4.1A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
W4A  A 716 (-3.8A)
None
DMS  A 717 ( 4.5A)
 1.03A 2zvaA-5myvA:
22.5		 2zvaA-5myvA:
24.63
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		3 / 3 MET A 180
GLU A 163
ASP A 161
 DMS  A 513 ( 4.3A)
None
None
 1.10A 3a25A-4mchA:
undetectable		 3a25A-4mchA:
25.15
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.24A 3a6jA-5sytA:
undetectable		 3a6jA-5sytA:
18.50
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 8 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.24A 3a6jC-5sytA:
undetectable		 3a6jC-5sytA:
18.50
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.
3B3M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3b3mA-3sxfA:
undetectable
3b3mB-3sxfA:
undetectable		 3b3mA-3sxfA:
20.77
3b3mB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3M_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3b3mA-3sxfA:
undetectable
3b3mB-3sxfA:
undetectable		 3b3mA-3sxfA:
20.77
3b3mB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3P_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.42A 3b3pA-3sxfA:
undetectable
3b3pB-3sxfA:
undetectable		 3b3pA-3sxfA:
20.77
3b3pB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens) 		5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.40A 3bwyA-5x49A:
undetectable		 3bwyA-5x49A:
19.01
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 12 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.44A 3d1yA-4g09A:
undetectable		 3d1yA-4g09A:
12.56
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.
3EBZ_B_017B201_1
(PROTEASE)		 3d7r ESTERASE
(Staphylococcus
aureus) 		5 / 11 LEU A 219
ASP A 223
ASP A 184
ILE A 123
ILE A 226
 DMS  A1416 ( 4.4A)
None
None
DMS  A1416 (-4.8A)
None
 1.14A 3ebzA-3d7rA:
undetectable		 3ebzA-3d7rA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_D_017D200_2
(PROTEASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 LEU A 176
GLY A  92
ALA A  91
GLY A 101
ILE A 104
 None
DMS  A 515 ( 4.1A)
None
None
None
 1.15A 3ektD-4mchA:
undetectable		 3ektD-4mchA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_1
(PROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 10 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.48A 3ekyA-4g09A:
undetectable		 3ekyA-4g09A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_2
(PROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 12 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.39A 3el1B-4g09A:
undetectable		 3el1B-4g09A:
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.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 6 ILE A  77
TYR A  17
MET A  29
HIS A  92
 None
DMS  A 215 (-4.3A)
None
ZN  A 210 (-3.2A)
 1.07A 3eteA-3ediA:
undetectable
3eteE-3ediA:
undetectable		 3eteA-3ediA:
18.84
3eteE-3ediA:
18.84
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 ILE A  77
TYR A  17
MET A  29
HIS A  92
 None
DMS  A 215 (-4.3A)
None
ZN  A 210 (-3.2A)
 1.08A 3eteB-3ediA:
undetectable
3eteC-3ediA:
undetectable		 3eteB-3ediA:
18.84
3eteC-3ediA:
18.84
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.
3ETE_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 7 MET A  29
HIS A  92
ILE A  77
TYR A  17
 None
ZN  A 210 (-3.2A)
None
DMS  A 215 (-4.3A)
 1.06A 3eteD-3ediA:
undetectable
3eteF-3ediA:
undetectable		 3eteD-3ediA:
18.84
3eteF-3ediA:
18.84
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
LYS A 390
MET A 438
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
EE4  A 701 ( 3.8A)
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.53A 3eygA-6c0tA:
18.9		 3eygA-6c0tA:
16.17
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
GLY A 369
VAL A 374
ALA A 388
VAL A 422
MET A 438
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
None
EE4  A 701 ( 3.8A)
DMS  A 702 ( 3.1A)
 0.77A 3fupB-6c0tA:
25.5		 3fupB-6c0tA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
LYS A 390
VAL A 422
MET A 438
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
None
EE4  A 701 ( 3.8A)
DMS  A 702 ( 3.1A)
 0.67A 3fupB-6c0tA:
25.5		 3fupB-6c0tA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		9 / 12 LEU A  98
VAL A 106
ALA A 119
LYS A 121
GLU A 136
VAL A 157
GLY A 181
LEU A 232
ALA A 540
 W4A  A 716 (-4.1A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
W4A  A 716 (-3.8A)
None
DMS  A 717 ( 4.5A)
 1.10A 3g5dB-5myvA:
21.4		 3g5dB-5myvA:
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 VAL A 106
ALA A 119
GLU A 136
LEU A 139
LEU A 140
HIS A 223
 W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 (-4.0A)
None
None
None
 0.99A 3gp0A-5myvA:
20.9		 3gp0A-5myvA:
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 5dlk TQAA
(Penicillium
aethiopicum) 		5 / 12 LEU A 396
ILE A 187
GLY A 184
HIS A  69
HIS A 179
 None
None
None
DMS  A 507 (-4.5A)
DMS  A 507 (-4.6A)
 1.31A 3hgiA-5dlkA:
undetectable		 3hgiA-5dlkA:
20.17
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.
3HSP_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3hspA-3sxfA:
undetectable
3hspB-3sxfA:
undetectable		 3hspA-3sxfA:
20.77
3hspB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		 4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens) 		4 / 8 GLU A 868
LEU A 924
PHE A 859
LEU A 862
 DMS  A1984 (-3.8A)
None
None
None
 0.84A 3i45A-4udbA:
undetectable		 3i45A-4udbA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.70A 3ihzA-4lawA:
20.8		 3ihzA-4lawA:
23.69
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.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.77A 3ihzA-4lawA:
20.8		 3ihzA-4lawA:
23.69
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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 8 TYR A  57
ASP A  68
PHE A  77
TRP A  90
TYR A 113
ILE A 122
 None
None
None
DMS  A 304 ( 4.0A)
None
None
 0.46A 3ihzB-4lawA:
21.1		 3ihzB-4lawA:
23.69
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.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 GLU A 136
VAL A 157
HIS A 223
LEU A 232
ALA A 540
 DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
None
None
DMS  A 717 ( 4.5A)
 0.55A 3ik3A-5myvA:
19.9		 3ik3A-5myvA:
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.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 119
GLU A 136
VAL A 157
HIS A 223
ALA A 540
 W4A  A 716 ( 3.9A)
DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
None
DMS  A 717 ( 4.5A)
 0.67A 3ik3B-5myvA:
19.8		 3ik3B-5myvA:
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.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 GLU A 136
VAL A 157
HIS A 223
LEU A 232
ALA A 540
 DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
None
None
DMS  A 717 ( 4.5A)
 0.53A 3ik3B-5myvA:
19.8		 3ik3B-5myvA:
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.
3JT3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 3jt3A-3sxfA:
undetectable
3jt3B-3sxfA:
undetectable		 3jt3A-3sxfA:
20.77
3jt3B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.48A 3jt4A-3sxfA:
undetectable
3jt4B-3sxfA:
undetectable		 3jt4A-3sxfA:
20.77
3jt4B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3jt4A-3sxfA:
undetectable
3jt4B-3sxfA:
undetectable		 3jt4A-3sxfA:
20.77
3jt4B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT6_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3jt6A-3sxfA:
undetectable
3jt6B-3sxfA:
undetectable		 3jt6A-3sxfA:
20.77
3jt6B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWV_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3jwvA-3sxfA:
undetectable
3jwvB-3sxfA:
undetectable		 3jwvA-3sxfA:
20.77
3jwvB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 3jx0A-3sxfA:
undetectable
3jx0B-3sxfA:
undetectable		 3jx0A-3sxfA:
20.65
3jx0B-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3jx0A-3sxfA:
undetectable
3jx0B-3sxfA:
undetectable		 3jx0A-3sxfA:
20.65
3jx0B-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.48A 3jx1A-3sxfA:
undetectable
3jx1B-3sxfA:
undetectable		 3jx1A-3sxfA:
20.65
3jx1B-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 3jx4A-3sxfA:
undetectable
3jx4B-3sxfA:
undetectable		 3jx4A-3sxfA:
20.65
3jx4B-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 12 LEU A 126
PHE A 122
LEU A  56
ASP A  57
SER A  40
 None
None
None
None
DMS  A1314 ( 3.7A)
 1.20A 3ko0A-5advA:
undetectable
3ko0B-5advA:
undetectable
3ko0C-5advA:
undetectable
3ko0D-5advA:
undetectable		 3ko0A-5advA:
15.55
3ko0B-5advA:
15.55
3ko0C-5advA:
15.55
3ko0D-5advA:
15.55
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.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 12 SER A  40
LEU A 126
PHE A 122
LEU A  56
ASP A  57
 DMS  A1314 ( 3.7A)
None
None
None
None
 1.26A 3ko0G-5advA:
undetectable
3ko0H-5advA:
undetectable
3ko0I-5advA:
undetectable
3ko0J-5advA:
undetectable		 3ko0G-5advA:
15.55
3ko0H-5advA:
15.55
3ko0I-5advA:
15.55
3ko0J-5advA:
15.55
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.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 11 SER A  40
LEU A  56
ASP A  57
LEU A 126
PHE A 122
 DMS  A1314 ( 3.7A)
None
None
None
None
 1.19A 3ko0A-5advA:
undetectable
3ko0B-5advA:
undetectable
3ko0I-5advA:
undetectable
3ko0J-5advA:
undetectable		 3ko0A-5advA:
15.55
3ko0B-5advA:
15.55
3ko0I-5advA:
15.55
3ko0J-5advA:
15.55
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 12 LEU A  56
ASP A  57
LEU A 126
PHE A 122
SER A  40
 None
None
None
None
DMS  A1314 ( 3.7A)
 1.22A 3ko0K-5advA:
undetectable
3ko0L-5advA:
undetectable
3ko0M-5advA:
undetectable
3ko0N-5advA:
undetectable		 3ko0K-5advA:
15.55
3ko0L-5advA:
15.55
3ko0M-5advA:
15.55
3ko0N-5advA:
15.55
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.
3KO0_M_TFPM202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 12 LEU A 126
PHE A 122
LEU A  56
ASP A  57
SER A  40
 None
None
None
None
DMS  A1314 ( 3.7A)
 1.15A 3ko0M-5advA:
undetectable
3ko0N-5advA:
undetectable
3ko0O-5advA:
undetectable
3ko0P-5advA:
undetectable		 3ko0M-5advA:
15.55
3ko0N-5advA:
15.55
3ko0O-5advA:
15.55
3ko0P-5advA:
15.55
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.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN
(Campylobacter
jejuni) 		5 / 12 SER A  40
LEU A  56
ASP A  57
LEU A 126
PHE A 122
 DMS  A1314 ( 3.7A)
None
None
None
None
 1.19A 3ko0M-5advA:
undetectable
3ko0N-5advA:
undetectable
3ko0O-5advA:
undetectable
3ko0P-5advA:
undetectable		 3ko0M-5advA:
15.55
3ko0N-5advA:
15.55
3ko0O-5advA:
15.55
3ko0P-5advA:
15.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 10 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.66A 3kz7A-4lawA:
19.4		 3kz7A-4lawA:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 10 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.53A 3kz7A-4lawA:
19.4		 3kz7A-4lawA:
32.62
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
VAL A 374
ALA A 388
LYS A 390
VAL A 422
MET A 438
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
None
EE4  A 701 ( 3.8A)
DMS  A 702 ( 3.1A)
 0.70A 3lxkA-6c0tA:
24.8		 3lxkA-6c0tA:
13.24
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		 2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS
(Fasciola
hepatica) 		5 / 12 TYR A  93
LEU A 135
LEU A 138
VAL A 139
SER A 142
 DMS  A1212 ( 4.7A)
None
None
None
None
 1.31A 3m7rA-2wduA:
undetectable		 3m7rA-2wduA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Y_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3n5yA-3sxfA:
0.0
3n5yB-3sxfA:
undetectable		 3n5yA-3sxfA:
20.77
3n5yB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Z_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 3n5zA-3sxfA:
undetectable
3n5zB-3sxfA:
undetectable		 3n5zA-3sxfA:
20.77
3n5zB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDX_A_RITA100_2
(PROTEASE)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 11 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.45A 3ndxB-4g09A:
undetectable		 3ndxB-4g09A:
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.
3NLM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 3nlmA-3sxfA:
undetectable
3nlmB-3sxfA:
undetectable		 3nlmA-3sxfA:
20.77
3nlmB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLM_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 3nlmA-3sxfA:
undetectable
3nlmB-3sxfA:
undetectable		 3nlmA-3sxfA:
20.77
3nlmB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 3nloA-3sxfA:
undetectable
3nloB-3sxfA:
undetectable		 3nloA-3sxfA:
20.77
3nloB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLV_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3nlvA-3sxfA:
undetectable
3nlvB-3sxfA:
undetectable		 3nlvA-3sxfA:
20.77
3nlvB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 3nlwA-3sxfA:
undetectable
3nlwB-3sxfA:
undetectable		 3nlwA-3sxfA:
20.77
3nlwB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3nlxA-3sxfA:
undetectable
3nlxB-3sxfA:
undetectable		 3nlxA-3sxfA:
20.77
3nlxB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 3nlxA-3sxfA:
undetectable
3nlxB-3sxfA:
undetectable		 3nlxA-3sxfA:
20.77
3nlxB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.48A 3nlzA-3sxfA:
undetectable
3nlzB-3sxfA:
undetectable		 3nlzA-3sxfA:
20.77
3nlzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLZ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3nlzA-3sxfA:
undetectable
3nlzB-3sxfA:
undetectable		 3nlzA-3sxfA:
20.77
3nlzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3nm0A-3sxfA:
undetectable
3nm0B-3sxfA:
undetectable		 3nm0A-3sxfA:
20.77
3nm0B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3nm0A-3sxfA:
undetectable
3nm0B-3sxfA:
undetectable		 3nm0A-3sxfA:
20.77
3nm0B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3nnzA-3sxfA:
undetectable
3nnzB-3sxfA:
undetectable		 3nnzA-3sxfA:
20.77
3nnzB-3sxfA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.68A 3o5rA-4lawA:
22.5		 3o5rA-4lawA:
67.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.79A 3o5rA-4lawA:
22.5		 3o5rA-4lawA:
67.19
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.
3OEZ_A_STIA601_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3d7r ESTERASE
(Staphylococcus
aureus) 		4 / 5 VAL A 202
ILE A 182
MET A 149
ARG A 246
 DMS  A1402 ( 4.5A)
None
None
None
 1.35A 3oezA-3d7rA:
undetectable		 3oezA-3d7rA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.48A 3pneA-3sxfA:
undetectable
3pneB-3sxfA:
undetectable		 3pneA-3sxfA:
20.77
3pneB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNE_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3pneA-3sxfA:
undetectable
3pneB-3sxfA:
undetectable		 3pneA-3sxfA:
20.77
3pneB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 3pnfA-3sxfA:
undetectable
3pnfB-3sxfA:
undetectable		 3pnfA-3sxfA:
20.77
3pnfB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNF_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3pnfA-3sxfA:
undetectable
3pnfB-3sxfA:
undetectable		 3pnfA-3sxfA:
20.77
3pnfB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3pngA-3sxfA:
undetectable
3pngB-3sxfA:
undetectable		 3pngA-3sxfA:
20.77
3pngB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		9 / 12 LEU A  98
VAL A 106
ALA A 119
LYS A 121
GLU A 136
VAL A 157
GLY A 181
LEU A 232
ALA A 540
 W4A  A 716 (-4.1A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
W4A  A 716 (-3.8A)
None
DMS  A 717 ( 4.5A)
 1.05A 3qlgA-5myvA:
20.8		 3qlgA-5myvA:
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		8 / 12 VAL A 106
ALA A 119
GLU A 136
LEU A 140
PHE A 177
LEU A 215
HIS A 223
ALA A 540
 W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 (-4.0A)
None
DMS  A 717 ( 3.9A)
None
None
DMS  A 717 ( 4.5A)
 0.64A 3rgfA-5myvA:
21.1		 3rgfA-5myvA:
26.29
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.
3RQJ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 3rqjA-3sxfA:
undetectable
3rqjB-3sxfA:
undetectable		 3rqjA-3sxfA:
20.77
3rqjB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQJ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3rqjA-3sxfA:
undetectable
3rqjB-3sxfA:
undetectable		 3rqjA-3sxfA:
20.77
3rqjB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3rqmA-3sxfA:
undetectable
3rqmB-3sxfA:
undetectable		 3rqmA-3sxfA:
20.77
3rqmB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQM_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3rqmA-3sxfA:
undetectable
3rqmB-3sxfA:
undetectable		 3rqmA-3sxfA:
20.77
3rqmB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3rqnA-3sxfA:
undetectable
3rqnB-3sxfA:
undetectable		 3rqnA-3sxfA:
20.77
3rqnB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 8 PHE A  85
ILE A  32
LEU A  73
PHE A  69
 None
None
ACO  A 201 (-3.9A)
DMS  A 207 (-4.2A)
 1.05A 3rqwI-3x1jA:
undetectable
3rqwJ-3x1jA:
undetectable		 3rqwI-3x1jA:
21.38
3rqwJ-3x1jA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		 2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE
(Plasmodium
vivax) 		4 / 6 LEU A 392
ALA A 279
THR A 146
LEU A 409
 None
DMS  A 999 ( 4.6A)
DMS  A 999 ( 4.8A)
None
 0.95A 3t3zA-2yneA:
undetectable		 3t3zA-2yneA:
22.90
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.
3T3Z_B_9PLB501_1
(CYTOCHROME P450 2E1)		 2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE
(Plasmodium
vivax) 		4 / 6 LEU A 392
ALA A 279
THR A 146
LEU A 409
 None
DMS  A 999 ( 4.6A)
DMS  A 999 ( 4.8A)
None
 0.94A 3t3zB-2yneA:
undetectable		 3t3zB-2yneA:
22.90
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.
3T3Z_D_9PLD501_1
(CYTOCHROME P450 2E1)		 2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE
(Plasmodium
vivax) 		4 / 6 LEU A 392
ALA A 279
THR A 146
LEU A 409
 None
DMS  A 999 ( 4.6A)
DMS  A 999 ( 4.8A)
None
 1.00A 3t3zD-2yneA:
undetectable		 3t3zD-2yneA:
22.90
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.
3TYL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 3tylA-3sxfA:
undetectable
3tylB-3sxfA:
undetectable		 3tylA-3sxfA:
20.77
3tylB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 3tyoA-3sxfA:
undetectable
3tyoB-3sxfA:
undetectable		 3tyoA-3sxfA:
20.77
3tyoB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 12 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.63A 3u40B-4mchA:
31.1
3u40C-4mchA:
31.9		 3u40B-4mchA:
26.84
3u40C-4mchA:
26.84
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.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.60A 3u40D-4mchA:
32.0
3u40E-4mchA:
30.8		 3u40D-4mchA:
26.84
3u40E-4mchA:
26.84
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.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 12 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.66A 3u40D-4mchA:
32.0
3u40E-4mchA:
30.8		 3u40D-4mchA:
26.84
3u40E-4mchA:
26.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		7 / 7 TRP A  81
PRO A  82
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.14A 3u5jA-4uydA:
25.8		 3u5jA-4uydA:
92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		8 / 8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.25A 3u5kA-4uydA:
24.5		 3u5kA-4uydA:
92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		7 / 7 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.28A 3u5kB-4uydA:
24.3		 3u5kB-4uydA:
92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		8 / 8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.25A 3u5kC-4uydA:
23.7		 3u5kC-4uydA:
92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		8 / 8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.36A 3u5kD-4uydA:
23.7		 3u5kD-4uydA:
92.70
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.71A 3uf8A-4lawA:
19.2		 3uf8A-4lawA:
24.74
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.79A 3uf8A-4lawA:
19.2		 3uf8A-4lawA:
24.74
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.
3UFS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 3ufsA-3sxfA:
undetectable
3ufsB-3sxfA:
undetectable		 3ufsA-3sxfA:
20.77
3ufsB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFS_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 3ufsA-3sxfA:
undetectable
3ufsB-3sxfA:
undetectable		 3ufsA-3sxfA:
20.77
3ufsB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 3ufuA-3sxfA:
undetectable
3ufuB-3sxfA:
undetectable		 3ufuA-3sxfA:
20.77
3ufuB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFV_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 3ufvA-3sxfA:
undetectable
3ufvB-3sxfA:
undetectable		 3ufvA-3sxfA:
20.77
3ufvB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3utn THIOSULFATE
SULFURTRANSFERASE
TUM1
(Saccharomyces
cerevisiae) 		4 / 5 SER X 154
ASP X 159
ASP X 164
ILE X 162
 None
DMS  X 405 (-3.1A)
None
None
 1.32A 3uj7B-3utnX:
undetectable		 3uj7B-3utnX:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UNI_B_SALB1345_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE
(Plasmodium
vivax) 		4 / 8 LEU A 409
VAL A 405
LEU A 277
ALA A 279
 None
None
None
DMS  A 999 ( 4.6A)
 0.94A 3uniB-2yneA:
undetectable		 3uniB-2yneA:
14.56
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.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.77A 3uqaA-4lawA:
16.0		 3uqaA-4lawA:
24.74
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.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.86A 3uqaA-4lawA:
16.0		 3uqaA-4lawA:
24.74
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 8 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.56A 3uqbA-4lawA:
19.1		 3uqbA-4lawA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5V_A_ACTA511_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE
(Homo
sapiens) 		4 / 4 ASN A 126
PHE A 155
SER A 157
GLN A 182
 DMS  A 508 ( 4.8A)
None
DMS  A 508 (-3.2A)
None
 1.29A 3v5vA-5vcsA:
undetectable		 3v5vA-5vcsA:
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.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.76A 3vawA-4lawA:
15.7		 3vawA-4lawA:
24.74
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.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.83A 3vawA-4lawA:
15.7		 3vawA-4lawA:
24.74
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		4 / 6 GLY A 257
VAL A 255
ASP A 281
THR A 282
 None
None
DMS  A 521 ( 4.9A)
None
 1.20A 3vqrA-5sytA:
undetectable		 3vqrA-5sytA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VQR_B_ACTB1002_0
(PUTATIVE
OXIDOREDUCTASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		4 / 5 GLY A 257
VAL A 255
ASP A 281
THR A 282
 None
None
DMS  A 521 ( 4.9A)
None
 1.21A 3vqrB-5sytA:
undetectable		 3vqrB-5sytA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		5 / 12 LEU A 366
VAL A 374
ALA A 388
GLU A 409
CYH A 441
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
EE4  A 701 (-4.6A)
 0.55A 3wzdA-6c0tA:
16.3		 3wzdA-6c0tA:
12.01
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.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		4 / 5 LYS A 121
VAL A 157
LEU A 232
ASP A 541
 SO4  A 702 (-3.3A)
DMS  A 717 (-4.3A)
None
DMS  A 717 (-4.3A)
 0.97A 3wzdA-5myvA:
19.6		 3wzdA-5myvA:
24.01
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		4 / 8 VAL A 156
VAL A 157
LEU A 232
ILE A 539
 None
DMS  A 717 (-4.3A)
None
None
 0.54A 3wzeA-5myvA:
19.9		 3wzeA-5myvA:
24.01
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 119
LYS A 121
GLU A 136
LEU A 215
HIS A 223
LEU A 232
ALA A 540
 W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
None
None
None
DMS  A 717 ( 4.5A)
 0.79A 3zosA-5myvA:
12.7		 3zosA-5myvA:
24.15
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 119
LYS A 121
GLU A 136
LEU A 215
HIS A 223
LEU A 232
ALA A 540
 W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
None
None
None
DMS  A 717 ( 4.5A)
 0.83A 3zosB-5myvA:
12.7		 3zosB-5myvA:
24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		5 / 5 VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
 V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.38A 4a9jA-4uydA:
20.5		 4a9jA-4uydA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		5 / 5 VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
 V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.32A 4a9jB-4uydA:
20.8		 4a9jB-4uydA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_C_TYLC1184_1
(BROMODOMAIN
CONTAINING 2)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		5 / 5 VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
 V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.37A 4a9jC-4uydA:
20.0		 4a9jC-4uydA:
71.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		 3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50
(Plasmodium
falciparum) 		5 / 9 ILE A 145
ILE A  61
PHE A  49
TYR A  88
TYR A  84
 None
None
None
None
DMS  A 366 ( 4.4A)
 1.19A 4afgA-3tghA:
undetectable
4afgE-3tghA:
undetectable		 4afgA-3tghA:
20.81
4afgE-3tghA:
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.
4AFG_E_QMRE1214_1
(CAPITELLA TELETA
ACHBP)		 3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50
(Plasmodium
falciparum) 		5 / 9 TYR A  88
TYR A  84
ILE A 145
ILE A  61
PHE A  49
 None
DMS  A 366 ( 4.4A)
None
None
None
 1.23A 4afgB-3tghA:
0.0
4afgC-3tghA:
0.0		 4afgB-3tghA:
20.81
4afgC-3tghA:
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		7 / 12 LEU A 366
VAL A 374
ALA A 388
LYS A 390
GLU A 409
VAL A 422
GLY A 444
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
None
None
 0.74A 4ag8A-6c0tA:
21.3		 4ag8A-6c0tA:
12.03
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A 140
ASP A 225
LYS A 227
ASN A 230
ASP A 541
GLY A 543
 None
None
None
None
DMS  A 717 (-4.3A)
None
 1.39A 4an2A-5myvA:
20.2		 4an2A-5myvA:
25.00
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.
4C39_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4c39A-3sxfA:
undetectable
4c39B-3sxfA:
undetectable		 4c39A-3sxfA:
20.77
4c39B-3sxfA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		9 / 9 TRP A  81
PRO A  82
GLN A  85
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.6A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.35A 4c66A-4uydA:
25.1		 4c66A-4uydA:
92.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 119
LYS A 121
GLU A 136
LEU A 140
HIS A 223
LEU A 232
ALA A 540
 W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
None
None
None
DMS  A 717 ( 4.5A)
 0.88A 4c8bA-5myvA:
19.9		 4c8bA-5myvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 119
LYS A 121
GLU A 136
LEU A 140
HIS A 223
LEU A 232
ALA A 540
 W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
None
None
None
DMS  A 717 ( 4.5A)
 0.85A 4c8bB-5myvA:
19.9		 4c8bB-5myvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4caqA-3sxfA:
undetectable
4caqB-3sxfA:
undetectable		 4caqA-3sxfA:
20.77
4caqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4ctpA-3sxfA:
undetectable
4ctpB-3sxfA:
undetectable		 4ctpA-3sxfA:
20.77
4ctpB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4ctqA-3sxfA:
0.0
4ctqB-3sxfA:
undetectable		 4ctqA-3sxfA:
20.77
4ctqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 4ctqA-3sxfA:
undetectable
4ctqB-3sxfA:
undetectable		 4ctqA-3sxfA:
20.77
4ctqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.49A 4cttA-3sxfA:
undetectable
4cttB-3sxfA:
undetectable		 4cttA-3sxfA:
20.77
4cttB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4cttA-3sxfA:
undetectable
4cttB-3sxfA:
undetectable		 4cttA-3sxfA:
20.77
4cttB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTV_B_H4BB1720_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.47A 4ctvA-3sxfA:
undetectable
4ctvB-3sxfA:
undetectable		 4ctvA-3sxfA:
20.77
4ctvB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTW_B_H4BB1720_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4ctwA-3sxfA:
undetectable
4ctwB-3sxfA:
undetectable		 4ctwA-3sxfA:
20.77
4ctwB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4cx5A-3sxfA:
undetectable
4cx5B-3sxfA:
undetectable		 4cx5A-3sxfA:
20.77
4cx5B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4cx6A-3sxfA:
undetectable
4cx6B-3sxfA:
undetectable		 4cx6A-3sxfA:
20.77
4cx6B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX6_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4cx6A-3sxfA:
undetectable
4cx6B-3sxfA:
undetectable		 4cx6A-3sxfA:
20.77
4cx6B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1N_C_H4BC760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4d1nC-3sxfA:
undetectable
4d1nD-3sxfA:
undetectable		 4d1nC-3sxfA:
20.19
4d1nD-3sxfA:
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.
4D31_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4d31A-3sxfA:
undetectable
4d31B-3sxfA:
undetectable		 4d31A-3sxfA:
20.77
4d31B-3sxfA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.56A 4d9hA-4mchA:
31.5		 4d9hA-4mchA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 11 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.55A 4danA-4mchA:
31.3		 4danA-4mchA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 12 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.45A 4danA-4mchA:
31.3
4danB-4mchA:
31.6		 4danA-4mchA:
31.67
4danB-4mchA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.72A 4drhA-4lawA:
21.2		 4drhA-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.50A 4drhA-4lawA:
21.2		 4drhA-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.65A 4drhD-4lawA:
21.1		 4drhD-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.44A 4drhD-4lawA:
21.1		 4drhD-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.65A 4driA-4lawA:
23.5		 4driA-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.78A 4driA-4lawA:
23.5		 4driA-4lawA:
59.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.62A 4drjA-4lawA:
23.7		 4drjA-4lawA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.49A 4drjA-4lawA:
23.7		 4drjA-4lawA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.90A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.68A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.53A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.87A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.68A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.53A 4dz2A-4lawA:
19.1
4dz2B-4lawA:
19.2		 4dz2A-4lawA:
30.73
4dz2B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.83A 4dz3A-4lawA:
19.3		 4dz3A-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.95A 4dz3A-4lawA:
19.3		 4dz3A-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.68A 4dz3A-4lawA:
19.3		 4dz3A-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.52A 4dz3A-4lawA:
19.3		 4dz3A-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.72A 4dz3B-4lawA:
19.3		 4dz3B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.85A 4dz3B-4lawA:
19.3		 4dz3B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.70A 4dz3B-4lawA:
19.3		 4dz3B-4lawA:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.55A 4dz3B-4lawA:
19.3		 4dz3B-4lawA:
30.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 3utn THIOSULFATE
SULFURTRANSFERASE
TUM1
(Saccharomyces
cerevisiae) 		5 / 10 VAL X  27
LEU X  93
VAL X  95
THR X 110
VAL X 119
 None
None
None
None
DMS  X 401 (-4.1A)
 0.93A 4e3hA-3utnX:
undetectable		 4e3hA-3utnX:
23.98
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.14A 4foxA-4pg6A:
undetectable		 4foxA-4pg6A:
19.87
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.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE
(Trypanosoma
brucei) 		5 / 11 HIS A 395
SER A 366
GLU A 368
LEU A 447
LEU A 371
 GOL  A 804 (-3.7A)
None
None
DMS  A 806 ( 4.6A)
None
 1.40A 4foxC-5nfhA:
undetectable		 4foxC-5nfhA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 12 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.11A 4foxG-4pg6A:
undetectable		 4foxG-4pg6A:
19.87
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.
4FVW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4fvwA-3sxfA:
undetectable
4fvwB-3sxfA:
undetectable		 4fvwA-3sxfA:
20.77
4fvwB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 4fvxA-3sxfA:
undetectable
4fvxB-3sxfA:
undetectable		 4fvxA-3sxfA:
20.77
4fvxB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4fvxA-3sxfA:
undetectable
4fvxB-3sxfA:
undetectable		 4fvxA-3sxfA:
20.77
4fvxB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4fvyA-3sxfA:
undetectable
4fvyB-3sxfA:
undetectable		 4fvyA-3sxfA:
20.77
4fvyB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4fvzA-3sxfA:
undetectable
4fvzB-3sxfA:
undetectable		 4fvzA-3sxfA:
20.77
4fvzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3utn THIOSULFATE
SULFURTRANSFERASE
TUM1
(Saccharomyces
cerevisiae) 		5 / 11 ILE X  58
ALA X  60
LEU X  85
PHE X  56
LEU X 111
 None
DMS  X 409 (-3.2A)
DMS  X 409 (-4.0A)
None
None
 1.25A 4i1nA-3utnX:
undetectable		 4i1nA-3utnX:
17.13
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.
4IMT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 4imtA-3sxfA:
undetectable
4imtB-3sxfA:
undetectable		 4imtA-3sxfA:
20.77
4imtB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.29A 4j26A-3x1jA:
undetectable		 4j26A-3x1jA:
24.07
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 SER A 146
CYH A 219
TYR A 214
GLY A 543
LEU A 542
 None
None
None
None
DMS  A 717 (-4.0A)
 1.13A 4j7xB-5myvA:
undetectable		 4j7xB-5myvA:
20.51
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.
4JSF_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4jsfA-3sxfA:
undetectable
4jsfB-3sxfA:
undetectable		 4jsfA-3sxfA:
20.77
4jsfB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSG_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4jsgA-3sxfA:
undetectable
4jsgB-3sxfA:
undetectable		 4jsgA-3sxfA:
20.77
4jsgB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSH_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4jshA-3sxfA:
undetectable
4jshB-3sxfA:
undetectable		 4jshA-3sxfA:
20.77
4jshB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4jsiA-3sxfA:
undetectable
4jsiB-3sxfA:
undetectable		 4jsiA-3sxfA:
20.77
4jsiB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4jsjA-3sxfA:
undetectable
4jsjB-3sxfA:
undetectable		 4jsjA-3sxfA:
20.77
4jsjB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5D_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4k5dA-3sxfA:
undetectable
4k5dB-3sxfA:
undetectable		 4k5dA-3sxfA:
20.77
4k5dB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5F_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4k5fA-3sxfA:
undetectable
4k5fB-3sxfA:
undetectable		 4k5fA-3sxfA:
20.77
4k5fB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5G_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4k5gA-3sxfA:
undetectable
4k5gB-3sxfA:
undetectable		 4k5gA-3sxfA:
20.77
4k5gB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5G_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4k5gA-3sxfA:
undetectable
4k5gB-3sxfA:
undetectable		 4k5gA-3sxfA:
20.77
4k5gB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4kcnA-3sxfA:
undetectable
4kcnB-3sxfA:
undetectable		 4kcnA-3sxfA:
20.77
4kcnB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4kcnA-3sxfA:
undetectable
4kcnB-3sxfA:
undetectable		 4kcnA-3sxfA:
20.77
4kcnB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 10 ALA A 119
VAL A 157
LEU A 180
GLY A 181
LEU A 232
ASP A 541
 W4A  A 716 ( 3.9A)
DMS  A 717 (-4.3A)
W4A  A 716 (-4.3A)
W4A  A 716 (-3.8A)
None
DMS  A 717 (-4.3A)
 0.99A 4ks8A-5myvA:
23.5		 4ks8A-5myvA:
25.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.63A 4laxA-4lawA:
33.0		 4laxA-4lawA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.48A 4laxA-4lawA:
33.0		 4laxA-4lawA:
100.00
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.
4LUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 4luxA-3sxfA:
undetectable
4luxB-3sxfA:
undetectable		 4luxA-3sxfA:
20.77
4luxB-3sxfA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.65A 4nnrA-4lawA:
15.8
4nnrB-4lawA:
15.8		 4nnrA-4lawA:
32.62
4nnrB-4lawA:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.51A 4nnrA-4lawA:
15.8
4nnrB-4lawA:
15.8		 4nnrA-4lawA:
32.62
4nnrB-4lawA:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.71A 4nnrB-4lawA:
15.8		 4nnrB-4lawA:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.54A 4nnrB-4lawA:
15.8		 4nnrB-4lawA:
32.62
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.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		7 / 11 LEU A 366
GLY A 367
VAL A 374
ALA A 388
LYS A 390
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.73A 4o0sA-6c0tA:
32.9		 4o0sA-6c0tA:
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.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 12 TYR A  57
ASP A  68
ILE A  87
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.8A)
None
DMS  A 304 (-4.3A)
 0.72A 4odrA-4lawA:
12.5
4odrB-4lawA:
12.6		 4odrA-4lawA:
17.95
4odrB-4lawA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 12 TYR A  57
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.8A)
None
None
DMS  A 304 (-4.3A)
 0.53A 4odrA-4lawA:
12.5
4odrB-4lawA:
12.6		 4odrA-4lawA:
17.95
4odrB-4lawA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		9 / 12 LEU A 366
GLY A 367
GLY A 369
GLY A 372
VAL A 374
ALA A 388
LYS A 390
ASP A 502
PHE A 649
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-4.1A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 3.1A)
None
 0.72A 4otiA-6c0tA:
23.5		 4otiA-6c0tA:
11.89
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
GLY A 367
GLY A 372
VAL A 374
ALA A 388
LYS A 390
VAL A 422
PHE A 649
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.1A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
None
None
 0.70A 4otiA-6c0tA:
23.5		 4otiA-6c0tA:
11.89
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4oal CYTOKININ
DEHYDROGENASE 4
(Zea
mays) 		5 / 11 GLY A 146
GLY A 147
VAL A 153
ASP A 143
ILE A 236
 FAD  A 601 ( 4.2A)
None
None
DMS  A 604 ( 4.5A)
FAD  A 601 (-3.9A)
 0.96A 4pghA-4oalA:
undetectable		 4pghA-4oalA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 11 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.10A 4pxmB-3x1jA:
undetectable		 4pxmB-3x1jA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		5 / 12 ALA A 388
GLU A 409
MET A 413
LEU A 475
ARG A 483
 EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
None
None
TPO  A 517 ( 3.0A)
 1.05A 4qrcA-6c0tA:
16.3		 4qrcA-6c0tA:
14.51
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.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.52A 4qt2A-4lawA:
21.1		 4qt2A-4lawA:
24.17
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.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.48A 4qt2A-4lawA:
21.1		 4qt2A-4lawA:
24.17
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.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.64A 4qt3A-4lawA:
19.9		 4qt3A-4lawA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.53A 4qt3A-4lawA:
19.9		 4qt3A-4lawA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 VAL A 374
ALA A 388
LYS A 390
GLU A 409
MET A 413
CYH A 441
 EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
None
EE4  A 701 (-4.6A)
 0.82A 4r7iA-6c0tA:
15.7		 4r7iA-6c0tA:
16.08
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5zzn -
(-) 		4 / 7 LEU U  27
PHE U  35
TYR U  21
ARG U  97
 None
None
None
DMS  U 202 (-3.8A)
 1.18A 4twdF-5zznU:
undetectable
4twdJ-5zznU:
undetectable		 4twdF-5zznU:
undetectable
4twdJ-5zznU:
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.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5zzn -
(-) 		4 / 6 TYR U  21
ARG U  97
LEU U  27
PHE U  35
 None
DMS  U 202 (-3.8A)
None
None
 1.10A 4twdF-5zznU:
undetectable
4twdG-5zznU:
undetectable		 4twdF-5zznU:
undetectable
4twdG-5zznU:
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 5ddb MENIN
(Homo
sapiens) 		5 / 12 TYR A 222
SER A 178
THR A 210
THR A 193
ALA A 194
 None
None
None
DMS  A 612 ( 4.7A)
None
 1.47A 4u15A-5ddbA:
undetectable		 4u15A-5ddbA:
21.97
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.
4UCH_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 8 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4uchA-3sxfA:
undetectable
4uchB-3sxfA:
undetectable		 4uchA-3sxfA:
20.00
4uchB-3sxfA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4ugzA-3sxfA:
undetectable
4ugzB-3sxfA:
undetectable		 4ugzA-3sxfA:
20.77
4ugzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 4ugzA-3sxfA:
undetectable
4ugzB-3sxfA:
undetectable		 4ugzA-3sxfA:
20.77
4ugzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 4uh0A-3sxfA:
undetectable
4uh0B-3sxfA:
undetectable		 4uh0A-3sxfA:
20.77
4uh0B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4uh2A-3sxfA:
undetectable
4uh2B-3sxfA:
undetectable		 4uh2A-3sxfA:
20.77
4uh2B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 4uh2A-3sxfA:
undetectable
4uh2B-3sxfA:
undetectable		 4uh2A-3sxfA:
20.77
4uh2B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4uh3A-3sxfA:
undetectable
4uh3B-3sxfA:
undetectable		 4uh3A-3sxfA:
20.77
4uh3B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 4uh4A-3sxfA:
undetectable
4uh4B-3sxfA:
undetectable		 4uh4A-3sxfA:
20.77
4uh4B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH5_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4uh5A-3sxfA:
undetectable
4uh5B-3sxfA:
undetectable		 4uh5A-3sxfA:
19.81
4uh5B-3sxfA:
19.81
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.
4UH6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 4uh6A-3sxfA:
undetectable
4uh6B-3sxfA:
undetectable		 4uh6A-3sxfA:
19.81
4uh6B-3sxfA:
19.81
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.
4UPM_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4upmA-3sxfA:
undetectable
4upmB-3sxfA:
undetectable		 4upmA-3sxfA:
20.77
4upmB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 119
GLU A 136
LEU A 215
HIS A 223
ALA A 540
 W4A  A 716 ( 3.9A)
DMS  A 717 (-4.0A)
None
None
DMS  A 717 ( 4.5A)
 0.71A 4v01A-5myvA:
19.2		 4v01A-5myvA:
24.53
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_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 119
GLU A 136
LEU A 215
HIS A 223
ALA A 540
 W4A  A 716 ( 3.9A)
DMS  A 717 (-4.0A)
None
None
DMS  A 717 ( 4.5A)
 0.67A 4v01B-5myvA:
19.6		 4v01B-5myvA:
24.53
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.
4V3U_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 4v3uA-3sxfA:
undetectable
4v3uB-3sxfA:
undetectable		 4v3uA-3sxfA:
20.19
4v3uB-3sxfA:
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.
4V3U_D_H4BD760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 4v3uC-3sxfA:
undetectable
4v3uD-3sxfA:
undetectable		 4v3uC-3sxfA:
20.19
4v3uD-3sxfA:
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.
4V3Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 4v3yA-3sxfA:
undetectable
4v3yB-3sxfA:
undetectable		 4v3yA-3sxfA:
20.77
4v3yB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens) 		5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.44A 4xucA-5x49A:
undetectable		 4xucA-5x49A:
18.34
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens) 		5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.45A 4xudA-5x49A:
undetectable		 4xudA-5x49A:
18.34
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 VAL A 374
ALA A 388
LYS A 390
CYH A 441
ASP A 502
PHE A 503
 EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
EE4  A 701 (-4.6A)
DMS  A 702 ( 3.1A)
None
 0.85A 4xv2A-6c0tA:
17.6		 4xv2A-6c0tA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		4 / 7 TYR A  97
MET A 132
ASN A 140
ILE A 146
 None
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.51A 4y03A-4uydA:
14.4		 4y03A-4uydA:
27.74
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.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5hmp UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens) 		5 / 9 ARG A 398
LEU A 401
LEU A 364
ILE A 577
SER A 366
 DMS  A 805 (-3.4A)
None
None
None
None
 1.24A 4z69A-5hmpA:
2.6		 4z69A-5hmpA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.50A 5ad4A-3sxfA:
undetectable
5ad4B-3sxfA:
undetectable		 5ad4A-3sxfA:
20.77
5ad4B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5ad4A-3sxfA:
undetectable
5ad4B-3sxfA:
undetectable		 5ad4A-3sxfA:
20.77
5ad4B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.43A 5ad5A-3sxfA:
undetectable
5ad5B-3sxfA:
undetectable		 5ad5A-3sxfA:
20.77
5ad5B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD5_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5ad5A-3sxfA:
undetectable
5ad5B-3sxfA:
undetectable		 5ad5A-3sxfA:
20.77
5ad5B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD7_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5ad7A-3sxfA:
0.0
5ad7B-3sxfA:
0.0		 5ad7A-3sxfA:
20.77
5ad7B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD8_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5ad8A-3sxfA:
0.0
5ad8B-3sxfA:
0.0		 5ad8A-3sxfA:
20.77
5ad8B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD8_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5ad8A-3sxfA:
undetectable
5ad8B-3sxfA:
undetectable		 5ad8A-3sxfA:
20.77
5ad8B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5adaA-3sxfA:
undetectable
5adaB-3sxfA:
undetectable		 5adaA-3sxfA:
20.77
5adaB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADA_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5adaA-3sxfA:
undetectable
5adaB-3sxfA:
undetectable		 5adaA-3sxfA:
20.77
5adaB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADB_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.41A 5adbA-3sxfA:
undetectable
5adbB-3sxfA:
undetectable		 5adbA-3sxfA:
20.77
5adbB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADC_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5adcA-3sxfA:
undetectable
5adcB-3sxfA:
undetectable		 5adcA-3sxfA:
20.77
5adcB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADC_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5adcA-3sxfA:
undetectable
5adcB-3sxfA:
undetectable		 5adcA-3sxfA:
20.77
5adcB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADD_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5addA-3sxfA:
undetectable
5addB-3sxfA:
undetectable		 5addA-3sxfA:
20.65
5addB-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5adfA-3sxfA:
undetectable
5adfB-3sxfA:
undetectable		 5adfA-3sxfA:
19.81
5adfB-3sxfA:
19.81
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.
5ADF_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5adfA-3sxfA:
0.0
5adfB-3sxfA:
0.9		 5adfA-3sxfA:
19.81
5adfB-3sxfA:
19.81
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.
5ADG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.43A 5adgA-3sxfA:
undetectable
5adgB-3sxfA:
undetectable		 5adgA-3sxfA:
19.81
5adgB-3sxfA:
19.81
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.
5ADG_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5adgA-3sxfA:
undetectable
5adgB-3sxfA:
undetectable		 5adgA-3sxfA:
19.81
5adgB-3sxfA:
19.81
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.
5ADI_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5adiA-3sxfA:
undetectable
5adiB-3sxfA:
undetectable		 5adiA-3sxfA:
19.81
5adiB-3sxfA:
19.81
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.
5AGK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5agkA-3sxfA:
undetectable
5agkB-3sxfA:
undetectable		 5agkA-3sxfA:
20.77
5agkB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGL_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5aglA-3sxfA:
undetectable
5aglB-3sxfA:
undetectable		 5aglA-3sxfA:
20.77
5aglB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5agnA-3sxfA:
undetectable
5agnB-3sxfA:
undetectable		 5agnA-3sxfA:
20.77
5agnB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5agoA-3sxfA:
undetectable
5agoB-3sxfA:
undetectable		 5agoA-3sxfA:
20.77
5agoB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5agoA-3sxfA:
undetectable
5agoB-3sxfA:
undetectable		 5agoA-3sxfA:
20.77
5agoB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5agpA-3sxfA:
undetectable
5agpB-3sxfA:
undetectable		 5agpA-3sxfA:
20.77
5agpB-3sxfA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.79A 5b8iC-4lawA:
18.3		 5b8iC-4lawA:
30.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.90A 5b8iC-4lawA:
18.3		 5b8iC-4lawA:
30.50
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		5 / 12 VAL A 374
ALA A 388
LYS A 390
CYH A 441
PHE A 503
 EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
EE4  A 701 (-4.6A)
None
 0.73A 5cswA-6c0tA:
17.4		 5cswA-6c0tA:
14.55
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.62A 5d75A-4lawA:
19.2		 5d75A-4lawA:
27.83
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.58A 5d75A-4lawA:
19.2		 5d75A-4lawA:
27.83
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)		 3d7r ESTERASE
(Staphylococcus
aureus) 		4 / 8 ILE A 281
TYR A 282
GLY A 152
LEU A 203
 DMS  A1407 (-4.9A)
DMS  A1407 ( 4.2A)
None
None
 0.92A 5esfA-3d7rA:
undetectable		 5esfA-3d7rA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5fvpA-3sxfA:
undetectable
5fvpB-3sxfA:
undetectable		 5fvpA-3sxfA:
20.77
5fvpB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5fvqA-3sxfA:
undetectable
5fvqB-3sxfA:
undetectable		 5fvqA-3sxfA:
20.77
5fvqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5fvrA-3sxfA:
undetectable
5fvrB-3sxfA:
undetectable		 5fvrA-3sxfA:
20.77
5fvrB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5fvrA-3sxfA:
undetectable
5fvrB-3sxfA:
undetectable		 5fvrA-3sxfA:
20.77
5fvrB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5fvsA-3sxfA:
undetectable
5fvsB-3sxfA:
undetectable		 5fvsA-3sxfA:
20.77
5fvsB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5fvtA-3sxfA:
undetectable
5fvtB-3sxfA:
undetectable		 5fvtA-3sxfA:
20.77
5fvtB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5fvuA-3sxfA:
undetectable
5fvuB-3sxfA:
undetectable		 5fvuA-3sxfA:
19.81
5fvuB-3sxfA:
19.81
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.
5FVW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5fvwA-3sxfA:
undetectable
5fvwB-3sxfA:
undetectable		 5fvwA-3sxfA:
19.81
5fvwB-3sxfA:
19.81
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.
5FVX_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5fvxA-3sxfA:
0.0
5fvxB-3sxfA:
0.5		 5fvxA-3sxfA:
19.81
5fvxB-3sxfA:
19.81
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.
5FW0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5fw0A-3sxfA:
undetectable
5fw0B-3sxfA:
undetectable		 5fw0A-3sxfA:
20.77
5fw0B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0N_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5g0nA-3sxfA:
undetectable
5g0nB-3sxfA:
undetectable		 5g0nA-3sxfA:
20.65
5g0nB-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0N_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5g0nA-3sxfA:
undetectable
5g0nB-3sxfA:
undetectable		 5g0nA-3sxfA:
20.65
5g0nB-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0O_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5g0oA-3sxfA:
undetectable
5g0oB-3sxfA:
undetectable		 5g0oA-3sxfA:
20.65
5g0oB-3sxfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0O_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5g0oA-3sxfA:
undetectable
5g0oB-3sxfA:
undetectable		 5g0oA-3sxfA:
20.65
5g0oB-3sxfA:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.66A 5gpgA-4lawA:
20.0		 5gpgA-4lawA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.49A 5gpgA-4lawA:
20.0		 5gpgA-4lawA:
33.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 12 TYR A  57
ASP A  68
PHE A  77
GLU A  85
VAL A  86
ILE A  87
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 (-4.3A)
 0.53A 5hkgA-4lawA:
19.1		 5hkgA-4lawA:
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 12 TYR A  57
PHE A  77
GLU A  85
VAL A  86
ILE A  87
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
None
DMS  A 304 (-4.3A)
 0.57A 5hkgA-4lawA:
19.1		 5hkgA-4lawA:
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.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.72A 5huaA-4lawA:
21.0		 5huaA-4lawA:
25.22
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.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.80A 5huaA-4lawA:
21.0		 5huaA-4lawA:
25.22
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.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 0.92A 5hw8A-4lawA:
17.7
5hw8D-4lawA:
18.0		 5hw8A-4lawA:
27.18
5hw8D-4lawA:
27.18
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.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 0.74A 5hw8A-4lawA:
17.7
5hw8D-4lawA:
18.0		 5hw8A-4lawA:
27.18
5hw8D-4lawA:
27.18
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.92A 5hw8B-4lawA:
17.7		 5hw8B-4lawA:
27.18
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 1.12A 5hw8B-4lawA:
17.7		 5hw8B-4lawA:
27.18
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.69A 5hw8B-4lawA:
17.7		 5hw8B-4lawA:
27.18
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
LEU A 128
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.83A 5hw8C-4lawA:
17.6
5hw8H-4lawA:
14.8		 5hw8C-4lawA:
27.18
5hw8H-4lawA:
27.18
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 10 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
LEU A 128
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.84A 5hw8C-4lawA:
17.6
5hw8H-4lawA:
14.8		 5hw8C-4lawA:
27.18
5hw8H-4lawA:
27.18
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.70A 5hw8D-4lawA:
18.0		 5hw8D-4lawA:
27.18
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.77A 5hw8D-4lawA:
18.0		 5hw8D-4lawA:
27.18
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 1.07A 5hw8D-4lawA:
18.0		 5hw8D-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.82A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.96A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.66A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 1.13A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 1.42A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.56A 5hw8E-4lawA:
18.1		 5hw8E-4lawA:
27.18
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 12 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.61A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-4lawA:
27.18
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		5 / 12 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A 122
 None
None
None
DMS  A 304 (-3.5A)
None
 1.12A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-4lawA:
27.18
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 12 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.44A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-4lawA:
27.18
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		6 / 12 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TYR A 113
ILE A 122
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
None
None
 1.43A 5hw8B-4lawA:
17.7
5hw8F-4lawA:
14.9
5hw8G-4lawA:
17.3		 5hw8B-4lawA:
27.18
5hw8F-4lawA:
27.18
5hw8G-4lawA:
27.18
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.71A 5hw8G-4lawA:
17.3		 5hw8G-4lawA:
27.18
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
 1.36A 5hw8G-4lawA:
17.3		 5hw8G-4lawA:
27.18
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		8 / 11 TYR A  57
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.59A 5hw8G-4lawA:
17.3		 5hw8G-4lawA:
27.18
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.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		7 / 8 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
DMS  A 304 (-4.3A)
 0.69A 5hw8H-4lawA:
14.8		 5hw8H-4lawA:
27.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
ARG A  73
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.84A 5hwcA-4lawA:
19.1		 5hwcA-4lawA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 11 TYR A  57
ASP A  68
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.59A 5hwcA-4lawA:
19.1		 5hwcA-4lawA:
31.61
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 9 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.57A 5i3cA-4mchA:
32.2		 5i3cA-4mchA:
25.82
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 7 GLY A 367
GLY A 369
PHE A 371
VAL A 374
LYS A 390
LEU A 392
 EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-3.0A)
EE4  A 701 (-4.4A)
DMS  A 702 (-3.5A)
EE4  A 701 ( 4.6A)
 0.51A 5izjA-6c0tA:
31.6		 5izjA-6c0tA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		4 / 7 GLY A 367
GLY A 369
VAL A 374
LYS A 390
 EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-4.4A)
DMS  A 702 (-3.5A)
 0.29A 5j5xA-6c0tA:
41.6		 5j5xA-6c0tA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)		 5nh0 REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
NL63) 		5 / 11 GLN A 267
ASN A 231
VAL A 204
SER A 201
ASP A 202
 None
None
None
None
DMS  A 302 (-3.8A)
 1.47A 5jh7D-5nh0A:
undetectable		 5jh7D-5nh0A:
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		 2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN
(Homo
sapiens) 		4 / 4 ASN A 741
LEU A 745
SER A 786
LEU A 791
 None
None
None
DMS  A1802 ( 4.6A)
 1.36A 5kb5A-2vuwA:
undetectable		 5kb5A-2vuwA:
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.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		 4g09 HISTIDINOL
DEHYDROGENASE
(Brucella
suis) 		6 / 12 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.46A 5kqxA-4g09A:
undetectable		 5kqxA-4g09A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 GLY A  99
VAL A 106
ALA A 119
VAL A 157
PHE A 177
LEU A 232
 W4A  A 716 ( 4.0A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 (-4.3A)
DMS  A 717 ( 3.9A)
None
 0.74A 5l2iA-5myvA:
14.6		 5l2iA-5myvA:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 GLY A  99
VAL A 106
ALA A 119
VAL A 157
PHE A 177
LEU A 232
 W4A  A 716 ( 4.0A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 (-4.3A)
DMS  A 717 ( 3.9A)
None
 0.94A 5l2tA-5myvA:
14.5		 5l2tA-5myvA:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 5kta FDHC
(Acinetobacter
nosocomialis) 		4 / 8 TRP A  50
ARG A  28
TYR A  65
THR A  79
 DMS  A 204 (-3.4A)
SO4  A 202 (-3.1A)
DMS  A 204 (-4.5A)
None
 1.26A 5l8dA-5ktaA:
0.3		 5l8dA-5ktaA:
17.72
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.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens) 		5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.40A 5lsaA-5x49A:
undetectable		 5lsaA-5x49A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		5 / 10 LEU A 366
VAL A 374
LYS A 390
GLU A 409
GLY A 444
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
None
 0.57A 5mo4A-6c0tA:
16.5		 5mo4A-6c0tA:
11.27
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.
5MVM_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		 5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE
(Trypanosoma
brucei) 		5 / 10 ILE A 437
ALA A 439
ALA A 524
ILE A 525
ILE A 542
 None
DMS  A 805 ( 4.2A)
None
None
None
 0.95A 5mvmD-5nfhA:
5.5
5mvmE-5nfhA:
5.5		 5mvmD-5nfhA:
9.30
5mvmE-5nfhA:
9.30
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 5kta FDHC
(Acinetobacter
nosocomialis) 		4 / 8 TRP A  50
ARG A  28
TYR A  65
THR A  79
 DMS  A 204 (-3.4A)
SO4  A 202 (-3.1A)
DMS  A 204 (-4.5A)
None
 1.26A 5mwuA-5ktaA:
0.3		 5mwuA-5ktaA:
17.72
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		4 / 8 ALA A 388
GLU A 409
CYH A 441
ASP A 502
 EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
EE4  A 701 (-4.6A)
DMS  A 702 ( 3.1A)
 0.63A 5owrA-6c0tA:
15.6		 5owrA-6c0tA:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		4 / 6 PRO A  82
VAL A  87
TYR A  97
ILE A 146
 V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
None
DMS  A1169 ( 4.3A)
 0.77A 5pbeA-4uydA:
15.5		 5pbeA-4uydA:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		4 / 6 VAL A  87
TYR A  97
ASN A 140
ILE A 146
 V1T  A1171 (-4.9A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.36A 5pbeA-4uydA:
15.5		 5pbeA-4uydA:
34.00
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.
5T2Z_B_017B201_1
(PROTEASE)		 4mch URIDINE
PHOSPHORYLASE
(Aliivibrio
fischeri) 		5 / 12 LEU A 176
GLY A  92
ALA A  91
GLY A 101
ILE A 104
 None
DMS  A 515 ( 4.1A)
None
None
None
 1.09A 5t2zA-4mchA:
undetectable		 5t2zA-4mchA:
19.41
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 LEU A 376
ALA A 388
GLU A 409
MET A 413
VAL A 422
GLY A 444
 None
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.2A)
None
None
None
 0.71A 5te0A-6c0tA:
16.3		 5te0A-6c0tA:
13.45
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.
5UNR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5unrA-3sxfA:
undetectable
5unrB-3sxfA:
undetectable		 5unrA-3sxfA:
20.77
5unrB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5unsA-3sxfA:
undetectable
5unsB-3sxfA:
undetectable		 5unsA-3sxfA:
20.77
5unsB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5unsA-3sxfA:
undetectable
5unsB-3sxfA:
undetectable		 5unsA-3sxfA:
20.77
5unsB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.49A 5untA-3sxfA:
undetectable
5untB-3sxfA:
undetectable		 5untA-3sxfA:
20.77
5untB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5untA-3sxfA:
undetectable
5untB-3sxfA:
undetectable		 5untA-3sxfA:
20.77
5untB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5unuA-3sxfA:
undetectable
5unuB-3sxfA:
undetectable		 5unuA-3sxfA:
20.77
5unuB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.41A 5unuA-3sxfA:
undetectable
5unuB-3sxfA:
undetectable		 5unuA-3sxfA:
20.77
5unuB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.48A 5unvA-3sxfA:
undetectable
5unvB-3sxfA:
undetectable		 5unvA-3sxfA:
20.77
5unvB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.41A 5unwA-3sxfA:
undetectable
5unwB-3sxfA:
undetectable		 5unwA-3sxfA:
20.77
5unwB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.40A 5unxA-3sxfA:
undetectable
5unxB-3sxfA:
undetectable		 5unxA-3sxfA:
20.77
5unxB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5unyA-3sxfA:
undetectable
5unyB-3sxfA:
undetectable		 5unyA-3sxfA:
20.77
5unyB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 5 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5unzA-3sxfA:
0.0
5unzB-3sxfA:
0.0		 5unzA-3sxfA:
20.77
5unzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 5unzA-3sxfA:
undetectable
5unzB-3sxfA:
undetectable		 5unzA-3sxfA:
20.77
5unzB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5uo0A-3sxfA:
2.6
5uo0B-3sxfA:
undetectable		 5uo0A-3sxfA:
20.77
5uo0B-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5uo1A-3sxfA:
undetectable
5uo1B-3sxfA:
undetectable		 5uo1A-3sxfA:
19.81
5uo1B-3sxfA:
19.81
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.
5UO1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5uo1A-3sxfA:
undetectable
5uo1B-3sxfA:
undetectable		 5uo1A-3sxfA:
19.81
5uo1B-3sxfA:
19.81
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.
5UO2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5uo2A-3sxfA:
undetectable
5uo2B-3sxfA:
undetectable		 5uo2A-3sxfA:
19.81
5uo2B-3sxfA:
19.81
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.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5uo3A-3sxfA:
undetectable
5uo3B-3sxfA:
undetectable		 5uo3A-3sxfA:
19.81
5uo3B-3sxfA:
19.81
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.
5UO4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.43A 5uo4A-3sxfA:
undetectable
5uo4B-3sxfA:
undetectable		 5uo4A-3sxfA:
19.81
5uo4B-3sxfA:
19.81
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.
5UO4_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5uo4A-3sxfA:
undetectable
5uo4B-3sxfA:
undetectable		 5uo4A-3sxfA:
19.81
5uo4B-3sxfA:
19.81
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.
5UO5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5uo5A-3sxfA:
undetectable
5uo5B-3sxfA:
undetectable		 5uo5A-3sxfA:
19.81
5uo5B-3sxfA:
19.81
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.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens) 		4 / 5 VAL A 303
HIS A 431
LEU A 313
ASP A 342
 None
01B  A 604 (-4.0A)
DMS  A 605 (-4.2A)
MN  A 602 (-2.6A)
 1.29A 5vcvA-5x49A:
undetectable		 5vcvA-5x49A:
22.69
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.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		6 / 12 LEU A 366
VAL A 374
ALA A 388
LYS A 390
GLU A 409
CYH A 441
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
EE4  A 701 (-4.6A)
 0.47A 5vcyA-6c0tA:
24.3		 5vcyA-6c0tA:
13.50
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.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 5ddb MENIN
(Homo
sapiens) 		5 / 12 PHE A 146
PHE A  93
ALA A 242
ILE A 243
GLY A  42
 None
None
DMS  A 607 ( 3.8A)
None
None
 0.95A 5veuB-5ddbA:
undetectable		 5veuB-5ddbA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS
(Streptomyces
sp.
CK4412) 		4 / 7 VAL A  67
HIS A 131
ILE A 259
THR A  69
 FMT  A3613 (-4.6A)
None
None
DMS  A3092 (-3.8A)
 1.06A 5vkqA-3lcrA:
undetectable
5vkqD-3lcrA:
undetectable		 5vkqA-3lcrA:
11.03
5vkqD-3lcrA:
11.03
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.
5VUJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.50A 5vujA-3sxfA:
undetectable
5vujB-3sxfA:
undetectable		 5vujA-3sxfA:
20.77
5vujB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.49A 5vukA-3sxfA:
undetectable
5vukB-3sxfA:
undetectable		 5vukA-3sxfA:
20.77
5vukB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5vukA-3sxfA:
undetectable
5vukB-3sxfA:
undetectable		 5vukA-3sxfA:
20.77
5vukB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5vulA-3sxfA:
undetectable
5vulB-3sxfA:
undetectable		 5vulA-3sxfA:
20.77
5vulB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5vulA-3sxfA:
undetectable
5vulB-3sxfA:
undetectable		 5vulA-3sxfA:
20.77
5vulB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.49A 5vumA-3sxfA:
undetectable
5vumB-3sxfA:
undetectable		 5vumA-3sxfA:
20.77
5vumB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5vumA-3sxfA:
undetectable
5vumB-3sxfA:
undetectable		 5vumA-3sxfA:
20.77
5vumB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vunA-3sxfA:
undetectable
5vunB-3sxfA:
undetectable		 5vunA-3sxfA:
20.77
5vunB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5vunA-3sxfA:
undetectable
5vunB-3sxfA:
undetectable		 5vunA-3sxfA:
20.77
5vunB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5vuoA-3sxfA:
undetectable
5vuoB-3sxfA:
undetectable		 5vuoA-3sxfA:
20.77
5vuoB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5vuoA-3sxfA:
undetectable
5vuoB-3sxfA:
undetectable		 5vuoA-3sxfA:
20.77
5vuoB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5vupA-3sxfA:
undetectable
5vupB-3sxfA:
undetectable		 5vupA-3sxfA:
20.77
5vupB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5vupA-3sxfA:
undetectable
5vupB-3sxfA:
undetectable		 5vupA-3sxfA:
20.77
5vupB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vuqA-3sxfA:
undetectable
5vuqB-3sxfA:
undetectable		 5vuqA-3sxfA:
20.77
5vuqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5vuqA-3sxfA:
undetectable
5vuqB-3sxfA:
undetectable		 5vuqA-3sxfA:
20.77
5vuqB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5vurA-3sxfA:
undetectable
5vurB-3sxfA:
undetectable		 5vurA-3sxfA:
20.77
5vurB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5vusA-3sxfA:
undetectable
5vusB-3sxfA:
undetectable		 5vusA-3sxfA:
20.77
5vusB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5vusA-3sxfA:
undetectable
5vusB-3sxfA:
undetectable		 5vusA-3sxfA:
20.77
5vusB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 5vutA-3sxfA:
undetectable
5vutB-3sxfA:
undetectable		 5vutA-3sxfA:
20.77
5vutB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5vutA-3sxfA:
undetectable
5vutB-3sxfA:
undetectable		 5vutA-3sxfA:
20.77
5vutB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5vuuA-3sxfA:
undetectable
5vuuB-3sxfA:
undetectable		 5vuuA-3sxfA:
20.77
5vuuB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5vuuA-3sxfA:
undetectable
5vuuB-3sxfA:
undetectable		 5vuuA-3sxfA:
20.77
5vuuB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.42A 5vuvA-3sxfA:
undetectable
5vuvB-3sxfA:
undetectable		 5vuvA-3sxfA:
19.81
5vuvB-3sxfA:
19.81
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.
5VUV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5vuvA-3sxfA:
undetectable
5vuvB-3sxfA:
undetectable		 5vuvA-3sxfA:
19.81
5vuvB-3sxfA:
19.81
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.
5VUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5vuwA-3sxfA:
undetectable
5vuwB-3sxfA:
undetectable		 5vuwA-3sxfA:
19.81
5vuwB-3sxfA:
19.81
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.
5VUW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 5vuwA-3sxfA:
undetectable
5vuwB-3sxfA:
undetectable		 5vuwA-3sxfA:
19.81
5vuwB-3sxfA:
19.81
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.
5VUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5vuxA-3sxfA:
undetectable
5vuxB-3sxfA:
undetectable		 5vuxA-3sxfA:
19.81
5vuxB-3sxfA:
19.81
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.
5VUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 5vuxA-3sxfA:
0.0
5vuxB-3sxfA:
0.0		 5vuxA-3sxfA:
19.81
5vuxB-3sxfA:
19.81
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.
5VUY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.38A 5vuyA-3sxfA:
undetectable
5vuyB-3sxfA:
undetectable		 5vuyA-3sxfA:
19.81
5vuyB-3sxfA:
19.81
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.
5VUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vuzA-3sxfA:
undetectable
5vuzB-3sxfA:
undetectable		 5vuzA-3sxfA:
19.81
5vuzB-3sxfA:
19.81
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.
5VUZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5vuzA-3sxfA:
undetectable
5vuzB-3sxfA:
undetectable		 5vuzA-3sxfA:
19.81
5vuzB-3sxfA:
19.81
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.
5VV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vv0A-3sxfA:
undetectable
5vv0B-3sxfA:
1.0		 5vv0A-3sxfA:
19.81
5vv0B-3sxfA:
19.81
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.
5VV0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5vv0A-3sxfA:
undetectable
5vv0B-3sxfA:
1.0		 5vv0A-3sxfA:
19.81
5vv0B-3sxfA:
19.81
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.
5VV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 5vv1A-3sxfA:
undetectable
5vv1B-3sxfA:
undetectable		 5vv1A-3sxfA:
19.81
5vv1B-3sxfA:
19.81
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.
5VV1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 5vv1A-3sxfA:
undetectable
5vv1B-3sxfA:
undetectable		 5vv1A-3sxfA:
19.81
5vv1B-3sxfA:
19.81
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.
5VV2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vv2A-3sxfA:
undetectable
5vv2B-3sxfA:
undetectable		 5vv2A-3sxfA:
19.81
5vv2B-3sxfA:
19.81
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.
5VV2_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.46A 5vv2A-3sxfA:
undetectable
5vv2B-3sxfA:
undetectable		 5vv2A-3sxfA:
19.81
5vv2B-3sxfA:
19.81
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.
5VV3_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5vv3A-3sxfA:
undetectable
5vv3B-3sxfA:
undetectable		 5vv3A-3sxfA:
19.81
5vv3B-3sxfA:
19.81
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.
5VV4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 6 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 5vv4A-3sxfA:
0.0
5vv4B-3sxfA:
0.9		 5vv4A-3sxfA:
19.81
5vv4B-3sxfA:
19.81
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.
5W7P_A_SAMA501_0
(OXAC)		 5nh0 REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
NL63) 		5 / 12 PHE A 185
GLU A 194
GLY A 170
SER A 169
ARG A 130
 None
None
None
None
DMS  A 303 (-3.5A)
 1.15A 5w7pA-5nh0A:
undetectable		 5w7pA-5nh0A:
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.
5WK9_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5aih LIMONENE-1,2-EPOXIDE
HYDROLASE
(unidentified) 		4 / 7 TYR A  32
LEU A  50
VAL A  96
ASP A 112
 None
DMS  A 203 (-4.7A)
None
DMS  A 201 ( 4.8A)
 1.05A 5wk9A-5aihA:
undetectable		 5wk9A-5aihA:
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.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 3p1v METALLO-ENDOPEPTIDAS
E
(Bacteroides
ovatus) 		4 / 8 SER A  90
GLN A  74
TYR A 292
MET A 419
 None
DMS  A 437 ( 3.9A)
None
None
 1.36A 5wqpA-3p1vA:
undetectable		 5wqpA-3p1vA:
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.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 5zzn -
(-) 		5 / 12 ALA U  53
PRO U  54
ASP U  60
LEU U  67
LEU U  75
 DMS  U 202 ( 3.5A)
HTG  U 203 (-3.9A)
HTG  U 203 (-4.3A)
None
None
 1.04A 5wwsA-5zznU:
undetectable		 5wwsA-5zznU:
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.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 11 VAL A 155
GLY A 157
SER A 162
ALA A 169
LEU A 152
 DMS  A3008 (-4.1A)
None
None
DMS  A3008 ( 4.1A)
None
 1.19A 5x6yC-5ihrA:
undetectable		 5x6yC-5ihrA:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		10 / 12 ARG A  96
LEU A  98
GLY A  99
VAL A 106
ALA A 119
PHE A 177
GLY A 181
VAL A 235
TYR A 239
ALA A 540
 None
W4A  A 716 (-4.1A)
W4A  A 716 ( 4.0A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 ( 3.9A)
W4A  A 716 (-3.8A)
W4A  A 716 ( 4.9A)
W4A  A 716 (-4.8A)
DMS  A 717 ( 4.5A)
 0.46A 5xv7A-5myvA:
49.0		 5xv7A-5myvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 ARG A  96
PHE A 177
GLY A 181
HIS A 182
VAL A 235
TYR A 239
ALA A 540
 None
DMS  A 717 ( 3.9A)
W4A  A 716 (-3.8A)
W4A  A 716 ( 3.6A)
W4A  A 716 ( 4.9A)
W4A  A 716 (-4.8A)
DMS  A 717 ( 4.5A)
 0.80A 5xv7A-5myvA:
49.0		 5xv7A-5myvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  98
GLY A  99
VAL A 106
ALA A 119
PHE A 177
VAL A 240
 W4A  A 716 (-4.1A)
W4A  A 716 ( 4.0A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
DMS  A 717 ( 3.9A)
None
 1.22A 5xv7A-5myvA:
49.0		 5xv7A-5myvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		8 / 8 PRO A  82
VAL A  87
LEU A  92
LEU A  94
CYH A 136
TYR A 139
ASN A 140
ILE A 146
 V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 ( 4.4A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
 0.28A 5y1yA-4uydA:
24.2		 5y1yA-4uydA:
100.00
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  98
VAL A 106
ALA A 119
LYS A 121
GLU A 136
GLY A 181
LEU A 232
 W4A  A 716 (-4.1A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
W4A  A 716 (-3.8A)
None
 1.05A 5y7zA-5myvA:
23.9		 5y7zA-5myvA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  98
VAL A 106
ALA A 119
LYS A 121
GLU A 136
GLY A 181
LEU A 232
 W4A  A 716 (-4.1A)
W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
W4A  A 716 (-3.8A)
None
 1.05A 5y7zA-5myvA:
23.9		 5y7zA-5myvA:
22.98
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		8 / 12 LEU A 366
VAL A 374
ALA A 388
LYS A 390
GLU A 409
CYH A 441
GLY A 444
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
EE4  A 701 (-4.6A)
None
DMS  A 702 ( 3.1A)
 0.85A 5y80A-6c0tA:
24.9		 5y80A-6c0tA:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC605_0
(TYROSINASE)		 4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens) 		4 / 5 HIS A 190
HIS A 175
HIS A 203
PHE A 192
 ZN  A 303 ( 3.2A)
ZN  A 303 (-3.1A)
ZN  A 303 (-3.1A)
DMS  A 307 (-4.2A)
 1.28A 5zrdC-4xctA:
undetectable		 5zrdC-4xctA:
12.96
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.
6AUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6auqA-3sxfA:
undetectable
6auqB-3sxfA:
undetectable		 6auqA-3sxfA:
9.13
6auqB-3sxfA:
9.13
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.
6AUR_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 6aurA-3sxfA:
undetectable
6aurB-3sxfA:
undetectable		 6aurA-3sxfA:
9.13
6aurB-3sxfA:
9.13
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.
6AUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 6aurA-3sxfA:
undetectable
6aurB-3sxfA:
undetectable		 6aurA-3sxfA:
9.13
6aurB-3sxfA:
9.13
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.
6AUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 6ausA-3sxfA:
undetectable
6ausB-3sxfA:
undetectable		 6ausA-3sxfA:
9.13
6ausB-3sxfA:
9.13
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.
6AUS_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 6ausA-3sxfA:
undetectable
6ausB-3sxfA:
undetectable		 6ausA-3sxfA:
9.13
6ausB-3sxfA:
9.13
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.
6AUT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6autA-3sxfA:
undetectable
6autB-3sxfA:
undetectable		 6autA-3sxfA:
9.13
6autB-3sxfA:
9.13
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.
6AUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 6auuA-3sxfA:
undetectable
6auuB-3sxfA:
undetectable		 6auuA-3sxfA:
9.13
6auuB-3sxfA:
9.13
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.
6AUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6auuA-3sxfA:
undetectable
6auuB-3sxfA:
undetectable		 6auuA-3sxfA:
9.13
6auuB-3sxfA:
9.13
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.
6AUV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6auvA-3sxfA:
undetectable
6auvB-3sxfA:
undetectable		 6auvA-3sxfA:
9.13
6auvB-3sxfA:
9.13
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.
6AUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.48A 6auwA-3sxfA:
undetectable
6auwB-3sxfA:
undetectable		 6auwA-3sxfA:
9.13
6auwB-3sxfA:
9.13
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.
6AUW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6auwA-3sxfA:
undetectable
6auwB-3sxfA:
undetectable		 6auwA-3sxfA:
9.13
6auwB-3sxfA:
9.13
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.
6AUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6auxA-3sxfA:
undetectable
6auxB-3sxfA:
undetectable		 6auxA-3sxfA:
9.13
6auxB-3sxfA:
9.13
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.
6AUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 6auxA-3sxfA:
undetectable
6auxB-3sxfA:
undetectable		 6auxA-3sxfA:
9.13
6auxB-3sxfA:
9.13
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.
6AUY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 6auyA-3sxfA:
undetectable
6auyB-3sxfA:
undetectable		 6auyA-3sxfA:
10.19
6auyB-3sxfA:
10.19
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.
6AUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6auzA-3sxfA:
undetectable
6auzB-3sxfA:
undetectable		 6auzA-3sxfA:
10.19
6auzB-3sxfA:
10.19
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.
6AV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.46A 6av0A-3sxfA:
undetectable
6av0B-3sxfA:
undetectable		 6av0A-3sxfA:
10.19
6av0B-3sxfA:
10.19
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.
6AV1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.42A 6av1A-3sxfA:
undetectable
6av1B-3sxfA:
undetectable		 6av1A-3sxfA:
10.19
6av1B-3sxfA:
10.19
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.
6AV4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6av4A-3sxfA:
undetectable
6av4B-3sxfA:
undetectable		 6av4A-3sxfA:
10.19
6av4B-3sxfA:
10.19
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.
6AV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6av5A-3sxfA:
undetectable
6av5B-3sxfA:
undetectable		 6av5A-3sxfA:
10.19
6av5B-3sxfA:
10.19
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 10 LEU A   8
VAL A  14
VAL A 311
GLY A 307
LEU A  11
 None
ACT  A 503 ( 4.9A)
None
None
DMS  A 511 (-4.8A)
 1.50A 6bsgA-4pg6A:
undetectable		 6bsgA-4pg6A:
11.14
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4pg6 HOMOSERINE
DEHYDROGENASE
(Staphylococcus
aureus) 		5 / 10 LEU A   8
VAL A  14
VAL A 311
GLY A 307
LEU A  11
 None
ACT  A 503 ( 4.9A)
None
None
DMS  A 511 (-4.8A)
 1.48A 6bsjA-4pg6A:
undetectable		 6bsjA-4pg6A:
11.14
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.
6CE2_B_SVRB202_2
(-)		 3d7r ESTERASE
(Staphylococcus
aureus) 		5 / 12 LEU A  99
LEU A  98
GLY A 150
GLY A  85
PRO A  93
 None
DMS  A1417 (-3.9A)
None
None
DMS  A1410 (-4.7A)
 1.07A 6ce2B-3d7rA:
undetectable		 6ce2B-3d7rA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		 5w4m TRANSCRIPTIONAL
REGULATOR
(Streptococcus
dysgalactiae) 		5 / 12 ILE A 211
ASN A 190
TYR A 266
HIS A 231
LEU A 207
 None
None
DMS  A 305 (-3.6A)
None
None
 1.18A 6chgC-5w4mA:
undetectable		 6chgC-5w4mA:
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.
6CIC_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6cicA-3sxfA:
undetectable
6cicB-3sxfA:
undetectable		 6cicA-3sxfA:
10.19
6cicB-3sxfA:
10.19
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.
6CIC_B_H4BB802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 6cicA-3sxfA:
undetectable
6cicB-3sxfA:
undetectable		 6cicA-3sxfA:
10.19
6cicB-3sxfA:
10.19
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.
6CID_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.44A 6cidA-3sxfA:
undetectable
6cidB-3sxfA:
1.0		 6cidA-3sxfA:
10.19
6cidB-3sxfA:
10.19
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.
6CID_B_H4BB803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1
(Toxoplasma
gondii) 		4 / 7 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.44A 6cidA-3sxfA:
undetectable
6cidB-3sxfA:
1.0		 6cidA-3sxfA:
10.19
6cidB-3sxfA:
10.19
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 5aih LIMONENE-1,2-EPOXIDE
HYDROLASE
(unidentified) 		4 / 5 GLY A  21
ASP A  20
ARG A  43
ARG A  47
 None
EDO  A 304 ( 2.8A)
DMS  A 202 (-3.8A)
EDO  A 304 (-4.5A)
 1.17A 6dwdB-5aihA:
undetectable
6dwdD-5aihA:
undetectable		 6dwdB-5aihA:
13.41
6dwdD-5aihA:
13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens) 		3 / 3 TYR A 179
HIS A 190
PHE A 192
 DMS  A 307 ( 3.9A)
ZN  A 303 ( 3.2A)
DMS  A 307 (-4.2A)
 0.10A 6esmA-4xctA:
32.9		 6esmA-4xctA:
100.00
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.
6EU9_D_READ601_1
(RETINOIC ACID
RECEPTOR)		 3h0u PUTATIVE ENOYL-COA
HYDRATASE
(Streptomyces
avermitilis) 		4 / 7 PHE A 264
LEU A 274
GLY A 120
GLY A  36
 None
None
DMS  A   1 (-3.3A)
None
 0.78A 6eu9D-3h0uA:
undetectable		 6eu9D-3h0uA:
13.45
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 106
ALA A 119
LYS A 121
GLU A 136
VAL A 157
LEU A 232
ALA A 540
 W4A  A 716 ( 4.7A)
W4A  A 716 ( 3.9A)
SO4  A 702 (-3.3A)
DMS  A 717 (-4.0A)
DMS  A 717 (-4.3A)
None
DMS  A 717 ( 4.5A)
 0.99A 6hd4A-5myvA:
19.7		 6hd4A-5myvA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens) 		7 / 12 LEU A 366
VAL A 374
ALA A 388
LYS A 390
GLU A 409
MET A 413
VAL A 422
 EE4  A 701 ( 4.6A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 (-3.5A)
DMS  A 702 ( 4.2A)
None
None
 0.77A 6hd6B-6c0tA:
16.4		 6hd6B-6c0tA:
26.53
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 THR A 625
VAL A 627
VAL A 599
PHE A 621
ASN A 642
 DMS  A3001 (-3.8A)
None
None
None
None
 1.45A 6iblA-5ihrA:
undetectable		 6iblA-5ihrA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 THR A 625
VAL A 627
VAL A 599
PHE A 621
ASN A 642
 DMS  A3001 (-3.8A)
None
None
None
None
 1.47A 6iblB-5ihrA:
undetectable		 6iblB-5ihrA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.72A 6mkeA-4lawA:
21.2
6mkeD-4lawA:
21.2		 6mkeA-4lawA:
16.06
6mkeD-4lawA:
16.06
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.77A 6mkeA-4lawA:
21.2
6mkeD-4lawA:
21.2		 6mkeA-4lawA:
16.06
6mkeD-4lawA:
16.06
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.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.76A 6mkeB-4lawA:
21.0
6mkeC-4lawA:
20.9		 6mkeB-4lawA:
16.06
6mkeC-4lawA:
16.06
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.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 12 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.81A 6mkeB-4lawA:
21.0
6mkeC-4lawA:
20.9		 6mkeB-4lawA:
16.06
6mkeC-4lawA:
16.06
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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.74A 6mkeC-4lawA:
20.9		 6mkeC-4lawA:
16.06
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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.81A 6mkeC-4lawA:
20.9		 6mkeC-4lawA:
16.06
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
TYR A 113
ILE A 122
PHE A 130
 None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
None
DMS  A 304 (-4.3A)
 0.74A 6mkeD-4lawA:
21.2		 6mkeD-4lawA:
16.06
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
(Homo
sapiens) 		9 / 10 TYR A  57
ASP A  68
ARG A  73
PHE A  77
VAL A  86
ILE A  87
TRP A  90
ILE A 122
PHE A 130
 None
None
None
None
DMS  A 304 (-3.5A)
DMS  A 304 (-3.8A)
DMS  A 304 ( 4.0A)
None
DMS  A 304 (-4.3A)
 0.80A 6mkeD-4lawA:
21.2		 6mkeD-4lawA:
16.06