SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '210'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 7 TYR A   7
PHE A   8
VAL A  10
ARG A  13
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.31A 11gsA-3o76A:
36.5		 11gsA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 7 TYR A   7
PHE A   8
GLY A  12
ARG A  13
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.30A 11gsB-3o76A:
36.4		 11gsB-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		4 / 7 TYR A 108
GLY A 205
TYR A   7
GLY A  12
 GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
None
None
 0.70A 11gsB-3o76A:
36.4		 11gsB-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		8 / 10 TYR A   7
PHE A   8
PRO A   9
VAL A  10
ARG A  13
TYR A 108
PRO A 202
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 0.31A 13gsA-3o76A:
36.0		 13gsA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
13GS_B_SASB211_1
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 9 PHE A   8
PRO A   9
VAL A  10
ARG A  13
TYR A 108
PRO A 202
GLY A 205
 GTB  A 210 (-4.5A)
None
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 0.33A 13gsB-3o76A:
36.1		 13gsB-3o76A:
84.69
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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 3b57 LIN1889 PROTEIN
(Listeria
innocua) 		3 / 3 ASP A 123
ARG A 124
ILE A 168
 MG  A 210 (-3.2A)
None
None
 0.88A 1a4gB-3b57A:
undetectable		 1a4gB-3b57A:
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 ASP A 193
TRP A 197
TYR A 218
THR A 210
 ASP  A 193 ( 0.6A)
TRP  A 197 ( 0.5A)
TYR  A 218 ( 1.3A)
THR  A 210 ( 0.8A)
 1.13A 1ceaA-2qc5A:
undetectable
1ceaB-2qc5A:
undetectable		 1ceaA-2qc5A:
13.82
1ceaB-2qc5A:
13.82
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		 3go1 FAB 268-D, LIGHT
CHAIN
(Homo
sapiens) 		4 / 8 VAL L 106
ARG L  61
ALA L  19
GLU L  83
 None
SO4  L 210 (-4.0A)
None
None
 0.92A 1dmiA-3go1L:
undetectable
1dmiB-3go1L:
undetectable		 1dmiA-3go1L:
18.59
1dmiB-3go1L:
18.59
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.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 3qbm TETR TRANSCRIPTIONAL
REGULATOR
(Chloroflexus
aurantiacus) 		4 / 5 PHE A  19
TYR A  24
LEU A 119
VAL A  12
 None
None
PGE  A 210 ( 4.9A)
None
 1.42A 1dz6A-3qbmA:
undetectable		 1dz6A-3qbmA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3gle PILIN
(Streptococcus
pyogenes) 		4 / 7 PHE A 194
ALA A 227
VAL A 210
VAL A 245
 PHE  A 194 ( 1.3A)
ALA  A 227 ( 0.0A)
VAL  A 210 ( 0.6A)
VAL  A 245 ( 0.5A)
 0.60A 1epbA-3gleA:
undetectable		 1epbA-3gleA:
23.84
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.
1EPB_B_9CRB165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3gle PILIN
(Streptococcus
pyogenes) 		4 / 8 PHE A 194
ALA A 227
VAL A 210
VAL A 245
 PHE  A 194 ( 1.3A)
ALA  A 227 ( 0.0A)
VAL  A 210 ( 0.6A)
VAL  A 245 ( 0.5A)
 0.63A 1epbB-3gleA:
undetectable		 1epbB-3gleA:
23.84
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
GLY A 681
VAL A 689
ALA A 700
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.75A 1fmoE-3lj0A:
23.6		 1fmoE-3lj0A:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 LEU A  43
THR A  46
LEU A  48
GLY A  50
LEU A  52
 None
None
None
None
GTB  A 210 (-4.9A)
 1.17A 1gtiA-3o76A:
35.1		 1gtiA-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 THR A  46
LEU A  48
GLY A  50
LEU A  52
TYR A  63
 None
None
None
GTB  A 210 (-4.9A)
None
 0.59A 1gtiA-3o76A:
35.1		 1gtiA-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 TRP A  38
LEU A  43
LEU A  48
GLY A  50
LEU A  52
 GTB  A 210 (-4.0A)
None
None
None
GTB  A 210 (-4.9A)
 0.64A 1gtiA-3o76A:
35.1		 1gtiA-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 TRP A  38
LEU A  48
GLY A  50
LEU A  52
TYR A  63
 GTB  A 210 (-4.0A)
None
None
GTB  A 210 (-4.9A)
None
 0.41A 1gtiA-3o76A:
35.1		 1gtiA-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 THR A  46
LEU A  48
GLY A  50
LEU A  52
TYR A  63
 None
None
None
GTB  A 210 (-4.9A)
None
 0.43A 1gtiB-3o76A:
35.0		 1gtiB-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 TRP A  38
LEU A  43
LEU A  48
GLY A  50
TYR A  63
 GTB  A 210 (-4.0A)
None
None
None
None
 0.84A 1gtiB-3o76A:
35.0		 1gtiB-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 TRP A  38
LEU A  48
GLY A  50
LEU A  52
TYR A  63
 GTB  A 210 (-4.0A)
None
None
GTB  A 210 (-4.9A)
None
 0.39A 1gtiB-3o76A:
35.0		 1gtiB-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 6 TRP A  38
LEU A  48
GLY A  50
LYS A  54
TYR A  63
 GTB  A 210 (-4.0A)
None
None
None
None
 0.56A 1gtiC-3o76A:
34.8		 1gtiC-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 6 TRP A  38
THR A  46
GLY A  50
LYS A  54
TYR A  63
 GTB  A 210 (-4.0A)
None
None
None
None
 1.08A 1gtiC-3o76A:
34.8		 1gtiC-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 7 TRP A  38
THR A  46
LEU A  48
GLY A  50
LEU A  52
LYS A  54
TYR A  63
 GTB  A 210 (-4.0A)
None
None
None
GTB  A 210 (-4.9A)
None
None
 0.42A 1gtiD-3o76A:
34.9		 1gtiD-3o76A:
99.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GTI_E_CCSE47_0
(GLUTATHIONE
S-TRANSFERASE)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 7 TRP A  38
THR A  46
LEU A  48
GLY A  50
LEU A  52
LYS A  54
TYR A  63
 GTB  A 210 (-4.0A)
None
None
None
GTB  A 210 (-4.9A)
None
None
 0.62A 1gtiE-3o76A:
34.7		 1gtiE-3o76A:
99.52
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		 5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		6 / 12 TYR L 157
GLN L 210
PHE L 219
VAL H  37
ALA H  97
TRP H 119
 TYR  L 157 ( 1.3A)
GLN  L 210 ( 0.6A)
PHE  L 219 ( 1.3A)
VAL  H  37 ( 0.6A)
ALA  H  97 ( 0.0A)
TRP  H 119 ( 0.5A)
 0.72A 1h8sA-5gruL:
13.9		 1h8sA-5gruL:
26.82
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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES
(Corynebacterium
glutamicum) 		5 / 9 ALA A   8
ASP A  63
VAL A  75
VAL A  17
ILE A  16
 EDO  A 205 (-3.9A)
EDO  A 210 (-3.5A)
None
None
None
 1.13A 1hpvB-2qecA:
undetectable		 1hpvB-2qecA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 TRP A  57
TYR A  70
GLN A  81
ALA A 110
GLU A 172
 None
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.6A)
 0.90A 1ki7A-2jcsA:
14.8		 1ki7A-2jcsA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 TRP A  57
GLN A  81
ARG A 105
ALA A 110
GLU A 172
 None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.6A)
 0.88A 1ki7B-2jcsA:
15.1		 1ki7B-2jcsA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1f2e GLUTATHIONE
S-TRANSFERASE
(Sphingomonas
paucimobilis) 		5 / 12 GLY A   8
ALA A  13
SER A  11
HIS A 106
LEU A 101
 None
None
None
GSH  A 210 (-4.4A)
None
 1.11A 1kiaD-1f2eA:
0.0		 1kiaD-1f2eA:
22.30
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 3mq1 MITE ALLERGEN DER P
5
(Dermatophagoides
pteronyssinus) 		3 / 3 GLU A 124
LYS A  70
VAL A  72
 None
MPD  A 210 ( 3.3A)
None
 0.87A 1l2iA-3mq1A:
undetectable		 1l2iA-3mq1A:
17.24
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.
1MSK_A_SAMA1301_0
(COBALAMIN-DEPENDENT
METHIONINE SYNTHASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 10 ASP A 101
ARG A  67
TYR A 114
PRO A 115
TYR A 113
 None
GSH  A 210 (-3.6A)
None
None
None
 1.42A 1mskA-3einA:
undetectable		 1mskA-3einA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3f9k INTEGRASE
(Human
immunodeficiency
virus
2) 		4 / 4 LEU A  22
VAL A  37
CYH A  40
ALA A  41
 None
None
ZN  A 210 (-2.1A)
None
 1.25A 1mz9E-3f9kA:
undetectable		 1mz9E-3f9kA:
14.21
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1f2e GLUTATHIONE
S-TRANSFERASE
(Sphingomonas
paucimobilis) 		5 / 12 GLY A   8
ALA A  13
SER A  11
HIS A 106
LEU A 101
 None
None
None
GSH  A 210 (-4.4A)
None
 1.07A 1nbhB-1f2eA:
undetectable		 1nbhB-1f2eA:
22.30
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens) 		3 / 3 ASP A1915
HIS A1936
ASP A1933
 None
None
4EL  A2101 (-4.6A)
 0.89A 1nw5A-4yknA:
undetectable		 1nw5A-4yknA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_G_BEZG513_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		4 / 5 PHE A 114
ARG A 105
ILE A 164
GLU A 172
 TTP  A1210 (-3.5A)
TTP  A1210 (-3.7A)
None
TTP  A1210 (-3.6A)
 1.42A 1oniG-2jcsA:
undetectable
1oniH-2jcsA:
undetectable		 1oniG-2jcsA:
17.67
1oniH-2jcsA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 680
LYS A 702
ILE A 743
ARG A 796
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
 0.94A 1opjB-3lj0A:
21.0		 1opjB-3lj0A:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.17A 1os2A-3ediA:
9.9		 1os2A-3ediA:
23.27
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.18A 1os2D-3ediA:
10.0		 1os2D-3ediA:
23.27
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.
1OS6_A_DXCA75_0
(PPCA)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 8 ILE K  45
LEU K  49
LYS K  23
GLY K  24
 None
None
G  21097 ( 3.7A)
None
 0.84A 1os6A-5jb3K:
undetectable		 1os6A-5jb3K:
20.97
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.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)		 5xxu RIBOSOMAL PROTEIN
US5
RIBOSOMAL PROTEIN
US8
(Toxoplasma
gondii) 		5 / 12 SER C 167
LEU W  93
LEU W  94
PRO W  95
TYR W 128
 U  21092 ( 3.6A)
None
None
None
U  21094 ( 4.8A)
 1.36A 1p33C-5xxuC:
undetectable		 1p33C-5xxuC:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		6 / 12 ILE A  29
VAL A  54
TRP A  57
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.93A 1p5zB-2jcsA:
27.3		 1p5zB-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
MET A  69
TYR A  70
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.76A 1p5zB-2jcsA:
27.3		 1p5zB-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
TYR A  70
GLN A  81
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.66A 1p5zB-2jcsA:
27.3		 1p5zB-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		7 / 11 ILE A  29
TRP A  57
MET A  69
TYR A  70
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.98A 1p62B-2jcsA:
27.0		 1p62B-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 11 ILE A  29
VAL A  54
TRP A  57
MET A  69
TYR A  70
GLN A  81
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.83A 1p62B-2jcsA:
27.0		 1p62B-2jcsA:
31.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.47A 1rk3A-3akcA:
undetectable		 1rk3A-3akcA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 LEU B 180
HIS B 275
ILE B 278
 CLA  B1210 (-3.6A)
CLA  B1215 (-4.0A)
CLA  B1215 ( 4.9A)
 0.69A 1s9pB-6fosB:
undetectable		 1s9pB-6fosB:
18.75
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
LEU A 719
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.96A 1t46A-3lj0A:
22.2		 1t46A-3lj0A:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 7 VAL A 914
CYH A 919
ARG A1027
CYH A1045
 None
LEV  A1201 (-4.1A)
None
GOL  A1210 ( 3.3A)
 0.87A 1t46A-3wzdA:
35.2		 1t46A-3wzdA:
53.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		6 / 7 GLY A  28
HIS A  46
ASP A  47
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
 1.05A 1th6A-5wzmA:
20.4		 1th6A-5wzmA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 7 GLY A  30
HIS A  46
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.2A)
None
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
 1.27A 1th6A-5wzmA:
20.4		 1th6A-5wzmA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE
(Escherichia
coli) 		5 / 5 MET A 132
ALA A 134
TYR A 192
ILE A 193
ASP A 199
 None
SO4  A 210 (-3.5A)
None
None
None
 0.72A 1upfA-2ehjA:
26.9		 1upfA-2ehjA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE
(Escherichia
coli) 		5 / 7 MET A 132
ALA A 134
TYR A 192
ILE A 193
ASP A 199
 None
SO4  A 210 (-3.5A)
None
None
None
 0.81A 1upfB-2ehjA:
26.9		 1upfB-2ehjA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE
(Escherichia
coli) 		5 / 5 MET A 132
ALA A 134
TYR A 192
ILE A 193
ASP A 199
 None
SO4  A 210 (-3.5A)
None
None
None
 0.89A 1upfC-2ehjA:
26.9		 1upfC-2ehjA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UPF_D_URFD999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE
(Escherichia
coli) 		4 / 4 MET A 132
ALA A 134
TYR A 192
ILE A 193
 None
SO4  A 210 (-3.5A)
None
None
 0.65A 1upfD-2ehjA:
27.6		 1upfD-2ehjA:
33.33
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.20A 1uttA-3ediA:
10.3		 1uttA-3ediA:
24.02
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.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.15A 1utzA-3ediA:
10.3		 1utzA-3ediA:
24.02
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.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.17A 1utzB-3ediA:
10.3		 1utzB-3ediA:
24.02
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 ALA A 700
GLU A 715
LEU A 719
CYH A 748
LEU A 788
HIS A 795
 ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
None
None
 0.59A 1uwhA-3lj0A:
23.3		 1uwhA-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
LYS A 702
GLU A 715
LEU A 719
CYH A 748
LEU A 788
HIS A 795
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.2A)
None
None
 0.66A 1uwhB-3lj0A:
23.3		 1uwhB-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
GLU A 715
CYH A 748
LEU A 788
HIS A 795
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
ADP  A2101 (-4.2A)
None
None
 0.60A 1uwjA-3lj0A:
7.8		 1uwjA-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
GLU A 715
CYH A 748
LEU A 788
HIS A 795
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
ADP  A2101 (-4.2A)
None
None
 0.59A 1uwjB-3lj0A:
7.8		 1uwjB-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_D_DVAD8_0
(GRAMICIDIN D)		 5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4) 		3 / 3 VAL A 285
VAL A 280
TRP A 282
 None
OLA  A1210 ( 4.5A)
None
 0.98A 1w5uC-5ee7A:
undetectable
1w5uD-5ee7A:
undetectable		 1w5uC-5ee7A:
4.11
1w5uD-5ee7A:
4.11
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 ASP A 181
GLY A 163
GLY A 160
MET A 220
LEU A 209
 NAD  A2101 (-2.9A)
None
NAD  A2101 (-3.3A)
NAD  A2101 ( 4.2A)
None
 0.97A 1x7pA-1sc6A:
2.5
1x7pB-1sc6A:
2.0		 1x7pA-1sc6A:
22.97
1x7pB-1sc6A:
22.97
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 6 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.16A 1y93A-3ediA:
9.8		 1y93A-3ediA:
23.12
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.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		 1f2e GLUTATHIONE
S-TRANSFERASE
(Sphingomonas
paucimobilis) 		5 / 12 LEU A  44
ASN A  47
ALA A  54
SER A   6
LEU A  32
 None
None
None
None
GSH  A 210 ( 3.9A)
 1.43A 1ya3B-1f2eA:
0.2		 1ya3B-1f2eA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA
(Homo
sapiens) 		4 / 7 TYR A1756
VAL A1937
GLY A1938
THR A1978
 None
None
7WL  A2101 ( 3.7A)
7WL  A2101 ( 4.5A)
 0.93A 2a1mA-5h08A:
undetectable		 2a1mA-5h08A:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
PHE A 114
TYR A 179
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
None
 0.87A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.69A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 VAL A  54
TRP A  57
PHE A  80
GLN A  81
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
 1.33A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4i7l LYSOZYME
(Escherichia
virus
T4) 		5 / 12 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
IPH  A 202 (-4.4A)
None
BME  A 210 ( 4.3A)
IPH  A 202 ( 4.5A)
 1.00A 2aclA-4i7lA:
undetectable
2aclE-4i7lA:
undetectable		 2aclA-4i7lA:
21.05
2aclE-4i7lA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		6 / 7 GLY A  28
HIS A  46
ASP A  47
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
 1.05A 2armA-5wzmA:
20.3		 2armA-5wzmA:
34.96
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.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 5ftx SURFACE LAYER
PROTEIN
(Geobacillus
stearothermophil
us) 		3 / 3 SER A 606
GLU A 614
ASP A 660
 None
None
CA  A2104 (-3.0A)
 0.89A 2avdB-5ftxA:
undetectable		 2avdB-5ftxA:
14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 10 ALA A  17
GLY A  28
HIS A  46
ASP A  47
PHE A  97
 None
CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
 0.74A 2b17A-5wzmA:
20.2		 2b17A-5wzmA:
34.96
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 SER A 827
LEU A 750
LEU A 822
LEU A 777
 ADP  A2101 ( 4.4A)
None
None
None
 0.99A 2bfpA-3lj0A:
undetectable		 2bfpA-3lj0A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 SER A 827
LEU A 750
LEU A 822
LEU A 777
 ADP  A2101 ( 4.4A)
None
None
None
 0.84A 2bfpC-3lj0A:
undetectable		 2bfpC-3lj0A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 SER A 827
LEU A 750
LEU A 822
LEU A 777
 ADP  A2101 ( 4.4A)
None
None
None
 0.83A 2bfpD-3lj0A:
undetectable		 2bfpD-3lj0A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CC8_A_RBFA1067_1
(VNG1446H)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		3 / 3 PHE A 364
VAL A 212
TRP A 210
 PHE  A 364 ( 1.3A)
VAL  A 212 ( 0.6A)
TRP  A 210 ( 0.5A)
 0.86A 2cc8A-5ec3A:
undetectable		 2cc8A-5ec3A:
11.45
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.
2CCB_A_RBFA1067_1
(VNG1446H)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		3 / 3 PHE A 364
VAL A 212
TRP A 210
 PHE  A 364 ( 1.3A)
VAL  A 212 ( 0.6A)
TRP  A 210 ( 0.5A)
 0.85A 2ccbA-5ec3A:
undetectable		 2ccbA-5ec3A:
11.45
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 5mus L PROTEIN
(California
reptarenavirus) 		5 / 10 GLN A1918
LEU A1907
LEU A1902
SER A1747
LEU A1748
 GOL  A2101 (-3.6A)
None
None
None
None
 1.37A 2ceoB-5musA:
undetectable		 2ceoB-5musA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.72A 2einN-3ediA:
undetectable		 2einN-3ediA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 3h09 IMMUNOGLOBULIN A1
PROTEASE
(Haemophilus
influenzae) 		5 / 11 LEU A 410
LEU A 391
ILE A 403
PRO A 353
ASN A 352
 None
None
None
MLA  A2100 (-3.9A)
None
 1.18A 2ft9A-3h09A:
undetectable		 2ft9A-3h09A:
8.53
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 680
GLY A 681
GLY A 683
VAL A 689
ALA A 700
ASN A 802
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
MG  A2102 ( 2.9A)
 0.59A 2fumD-3lj0A:
24.3		 2fumD-3lj0A:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 8 TYR A   7
PHE A   8
VAL A  10
ARG A  13
TRP A  38
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.0A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.40A 2gssA-3o76A:
36.5		 2gssA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 8 TYR A   7
PHE A   8
VAL A  10
ARG A  13
TRP A  38
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.0A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.40A 2gssB-3o76A:
36.5		 2gssB-3o76A:
84.69
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.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.17A 2hu6A-3ediA:
10.0		 2hu6A-3ediA:
23.12
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ASP A 754
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.95A 2itzA-3lj0A:
23.4		 2itzA-3lj0A:
26.34
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.
2JIH_B_097B1001_1
(ADAMTS-1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 8 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.27A 2jihB-3ediA:
6.4		 2jihB-3ediA:
20.86
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.
2JIH_B_097B1001_1
(ADAMTS-1)		 3u04 PEPTIDE DEFORMYLASE
1
(Ehrlichia
chaffeensis) 		4 / 8 LEU A  45
HIS A 153
GLU A 154
HIS A 157
 BB2  A 210 (-4.1A)
ZN  A 200 ( 3.3A)
BB2  A 210 (-2.7A)
ZN  A 200 ( 3.3A)
 0.23A 2jihB-3u04A:
undetectable		 2jihB-3u04A:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_A_AZZA1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 10 VAL A  54
TRP A  57
PHE A  80
GLN A  81
VAL A  84
MET A  88
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-4.8A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.55A 2jj8A-2jcsA:
30.4		 2jj8A-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_B_AZZB1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		11 / 12 TRP A  57
LEU A  66
TYR A  70
PHE A  80
GLN A  81
VAL A  84
MET A  88
ARG A 105
ALA A 110
PHE A 114
MET A 118
 None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-4.8A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.61A 2jj8B-2jcsA:
30.6		 2jj8B-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		10 / 12 ILE A  29
TRP A  57
LEU A  66
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
MET A 118
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.72A 2jj8C-2jcsA:
29.9		 2jj8C-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		10 / 12 VAL A  54
TRP A  57
LEU A  66
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
MET A 118
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.58A 2jj8C-2jcsA:
29.9		 2jj8C-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_D_AZZD1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 10 ILE A  29
TRP A  57
PHE A  80
GLN A  81
VAL A  84
MET A  88
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-4.8A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.68A 2jj8D-2jcsA:
30.7		 2jj8D-2jcsA:
99.57
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.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		 5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA
(Homo
sapiens) 		5 / 9 LEU A1946
VAL A1915
VAL A1931
ILE A1826
VAL A1824
 7WL  A2101 (-4.7A)
None
None
7WL  A2101 (-3.9A)
None
 1.30A 2l8mA-5h08A:
undetectable		 2l8mA-5h08A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
MET A  69
TYR A  70
PHE A  80
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.69A 2no0A-2jcsA:
26.1		 2no0A-2jcsA:
28.87
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
TYR A  70
PHE A  80
GLN A  81
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.56A 2no0A-2jcsA:
26.1		 2no0A-2jcsA:
28.87
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		7 / 12 ILE A  29
VAL A  54
TRP A  57
PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.87A 2no0A-2jcsA:
26.1		 2no0A-2jcsA:
28.87
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
None
 1.41A 2no0A-2jcsA:
26.1		 2no0A-2jcsA:
28.87
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.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
MET A  69
TYR A  70
PHE A  80
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.77A 2no0B-2jcsA:
26.9		 2no0B-2jcsA:
28.87
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.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
TYR A  70
PHE A  80
GLN A  81
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.68A 2no0B-2jcsA:
26.9		 2no0B-2jcsA:
28.87
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.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		7 / 12 ILE A  29
VAL A  54
TRP A  57
PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.97A 2no0B-2jcsA:
26.9		 2no0B-2jcsA:
28.87
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.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
None
 1.47A 2no0B-2jcsA:
26.9		 2no0B-2jcsA:
28.87
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
ARG A 105
PHE A 114
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
None
 0.74A 2no6A-2jcsA:
25.8		 2no6A-2jcsA:
28.87
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 11 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.74A 2no6B-2jcsA:
26.8		 2no6B-2jcsA:
28.87
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.69A 2noaA-2jcsA:
25.9		 2noaA-2jcsA:
28.87
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		7 / 11 ILE A  29
TRP A  57
LEU A  66
TYR A  70
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.79A 2noaB-2jcsA:
26.6		 2noaB-2jcsA:
28.87
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		4 / 5 LEU A  31
ILE A  53
SER A  10
GLY A   9
 None
GSH  A 210 (-4.3A)
GSH  A 210 (-3.1A)
None
 0.94A 2otfA-3einA:
undetectable		 2otfA-3einA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		3 / 3 ASP A  47
TYR A  50
LYS A  61
 CA  A 210 (-2.2A)
None
CL  A 201 (-4.0A)
 0.99A 2othA-5wzmA:
19.9		 2othA-5wzmA:
34.96
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 5xxu RIBOSOMAL PROTEIN
ES21
RIBOSOMAL PROTEIN
US8
(Toxoplasma
gondii;
Toxoplasma
gondii) 		4 / 6 ALA V  66
ASP V  65
GLU V  63
ARG W  22
 None
None
None
A  21036 ( 4.0A)
 1.16A 2ouzA-5xxuV:
undetectable		 2ouzA-5xxuV:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 6 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.11A 2ow9A-3ediA:
9.8		 2ow9A-3ediA:
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.13A 2ow9B-3ediA:
10.0		 2ow9B-3ediA:
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.12A 2ozrC-3ediA:
9.9		 2ozrC-3ediA:
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.22A 2ozrD-3ediA:
9.9		 2ozrD-3ediA:
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.33A 2ozrE-3ediA:
9.9		 2ozrE-3ediA:
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.
2OZR_F_HAEF3004_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A  92
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.30A 2ozrF-3ediA:
9.8		 2ozrF-3ediA:
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.
2PO5_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 719
LEU A 804
VAL A 689
MET A 704
 None
ADP  A2101 (-4.4A)
ADP  A2101 (-4.5A)
None
 0.85A 2po5B-3lj0A:
undetectable		 2po5B-3lj0A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 SER A  31
LEU A 180
VAL A 175
HIS A 187
TYR A 152
 TTP  A1210 (-3.3A)
None
None
None
None
 1.31A 2prgB-2jcsA:
0.0		 2prgB-2jcsA:
21.83
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.
2Q6K_A_ADNA699_1
(CHLORINASE)		 2go7 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY
(Streptococcus
pneumoniae) 		4 / 7 PHE A 126
TYR A 161
TYR A 106
THR A 107
 None
None
CL  A 210 ( 4.3A)
CL  A 212 (-4.1A)
 1.44A 2q6kA-2go7A:
2.1		 2q6kA-2go7A:
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.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		3 / 3 LEU A 216
ASN A 210
ARG A 199
 LEU  A 216 ( 0.6A)
ASN  A 210 ( 0.6A)
ARG  A 199 ( 0.6A)
 0.87A 2qhfA-5nqfA:
undetectable		 2qhfA-5nqfA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_A_DAHA2_1
(RANASMURFIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		5 / 9 ALA B  91
SER B 251
GLY B 247
SER B  87
ALA B  86
 None
None
None
LLP  B 210 ( 3.7A)
None
 1.38A 2vh3A-4iyoB:
undetectable		 2vh3A-4iyoB:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 ILE A  29
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.76A 2vppA-2jcsA:
31.2		 2vppA-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.58A 2vppA-2jcsA:
31.2		 2vppA-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.73A 2vppA-2jcsA:
31.2		 2vppA-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.57A 2vppA-2jcsA:
31.2		 2vppA-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
VAL A  54
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.77A 2vppB-2jcsA:
29.9		 2vppB-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		10 / 12 ILE A  29
VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.66A 2vppB-2jcsA:
29.9		 2vppB-2jcsA:
99.57
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.
2VX9_A_RBFA1064_1
(DODECIN)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		3 / 3 PHE A 364
VAL A 212
TRP A 210
 PHE  A 364 ( 1.3A)
VAL  A 212 ( 0.6A)
TRP  A 210 ( 0.5A)
 0.84A 2vx9A-5ec3A:
undetectable		 2vx9A-5ec3A:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W1B_A_DXCA2034_0
(ACRIFLAVIN
RESISTANCE PROTEIN B)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		3 / 3 PHE A 102
SER A 383
LEU A 387
 None
7DY  A1210 (-3.0A)
7DY  A1210 (-4.6A)
 0.79A 2w1bA-5u09A:
undetectable		 2w1bA-5u09A:
19.61
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 2bv7 GLYCOLIPID TRANSFER
PROTEIN
(Bos
taurus) 		3 / 3 MET A 134
VAL A 209
GLU A 204
 None
GM3  A1212 (-4.6A)
SO4  A1210 ( 4.8A)
 0.82A 2x9gA-2bv7A:
undetectable		 2x9gA-2bv7A:
20.07
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 5xxu RIBOSOMAL PROTEIN
ES21
RIBOSOMAL PROTEIN
US2
(Toxoplasma
gondii) 		3 / 3 ARG V  61
GLY V  62
SER A 138
 U  21077 ( 3.7A)
None
None
 0.64A 2xctB-5xxuV:
undetectable		 2xctB-5xxuV:
9.05
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.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.42A 2xp2A-3lj0A:
7.5		 2xp2A-3lj0A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 VAL A 689
ALA A 700
ILE A 729
LEU A 747
ASP A 754
LEU A 804
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
 0.64A 2y7jC-3lj0A:
27.7		 2y7jC-3lj0A:
25.11
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.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 VAL A 689
ALA A 700
ILE A 729
LEU A 747
ASP A 754
LEU A 804
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
 0.57A 2y7jD-3lj0A:
28.1		 2y7jD-3lj0A:
25.11
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
ARG A 169
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.3A)
TTP  A1210 (-3.6A)
None
 0.71A 2zi9A-2jcsA:
26.2		 2zi9A-2jcsA:
29.33
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.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		6 / 12 ILE A  29
TRP A  57
PHE A  80
GLN A  81
ARG A 105
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
None
 0.97A 2zi9A-2jcsA:
26.2		 2zi9A-2jcsA:
29.33
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.
2ZI9_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
MET A  69
TYR A  70
PHE A  80
PHE A 114
ARG A 167
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.6A)
None
 0.73A 2zi9B-2jcsA:
25.9		 2zi9B-2jcsA:
29.33
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.
2ZI9_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
TYR A  70
PHE A  80
GLN A  81
PHE A 114
ARG A 167
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.6A)
None
 0.65A 2zi9B-2jcsA:
25.9		 2zi9B-2jcsA:
29.33
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		7 / 12 ILE A  29
TRP A  57
GLN A  81
ARG A 105
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.82A 2ziaA-2jcsA:
26.6		 2ziaA-2jcsA:
28.98
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.72A 2ziaA-2jcsA:
26.6		 2ziaA-2jcsA:
28.98
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		10 / 12 ILE A  29
VAL A  54
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.75A 2ziaB-2jcsA:
26.6		 2ziaB-2jcsA:
28.98
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 LEU A 680
ALA A 700
LYS A 702
LEU A 745
LEU A 747
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
None
ADP  A2101 (-4.4A)
 0.63A 3aoxA-3lj0A:
22.6		 3aoxA-3lj0A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BA0_A_HAEA477_1
(MACROPHAGE
METALLOELASTASE)		 4uyr FLOCCULATION PROTEIN
FLO11
(Saccharomyces
cerevisiae) 		3 / 3 HIS A   5
GLU A  33
HIS A   8
 None
None
PO4  A1210 (-3.8A)
 0.80A 3ba0A-4uyrA:
undetectable		 3ba0A-4uyrA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLY A 922
LEU A1035
ASP A1046
PHE A1047
LEU A1049
 LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
LEV  A1201 (-3.3A)
LEV  A1201 ( 4.5A)
 0.80A 3bbtB-3wzdA:
29.5		 3bbtB-3wzdA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
LEU A 889
GLY A 922
LEU A1035
ASP A1046
LEU A1049
 LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 ( 4.4A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
LEV  A1201 ( 4.5A)
 1.02A 3bbtB-3wzdA:
29.5		 3bbtB-3wzdA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLY A 922
LEU A1035
ASP A1046
PHE A1047
LEU A1049
 LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
LEV  A1201 (-3.3A)
LEV  A1201 ( 4.5A)
 0.85A 3bbtD-3wzdA:
29.5		 3bbtD-3wzdA:
32.29
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 5 VAL B 205
VAL B 204
THR B  94
THR B 187
 None
None
None
LLP  B 210 ( 3.8A)
 1.15A 3bjwA-4iyoB:
undetectable		 3bjwA-4iyoB:
14.06
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.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 5 VAL B 205
VAL B 204
THR B  94
THR B 187
 None
None
None
LLP  B 210 ( 3.8A)
 1.22A 3bjwG-4iyoB:
undetectable		 3bjwG-4iyoB:
14.06
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 5 VAL B 205
VAL B 204
THR B  94
THR B 187
 None
None
None
LLP  B 210 ( 3.8A)
 1.17A 3bjwC-4iyoB:
undetectable		 3bjwC-4iyoB:
14.06
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.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 5 VAL B 205
VAL B 204
THR B  94
THR B 187
 None
None
None
LLP  B 210 ( 3.8A)
 1.15A 3bjwD-4iyoB:
undetectable		 3bjwD-4iyoB:
14.06
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.74A 3bvdA-3ediA:
undetectable		 3bvdA-3ediA:
16.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
GLU A 850
ALA A 866
VAL A 899
VAL A 916
PHE A 918
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
None
LEV  A1201 (-3.5A)
None
LEV  A1201 ( 4.6A)
LEV  A1201 (-4.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.47A 3c7qA-3wzdA:
39.0		 3c7qA-3wzdA:
99.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
GLY A 841
GLU A 850
ALA A 866
VAL A 899
VAL A 916
PHE A 918
CYH A 919
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 (-3.1A)
None
LEV  A1201 (-3.5A)
None
LEV  A1201 ( 4.6A)
LEV  A1201 (-4.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.81A 3c7qA-3wzdA:
39.0		 3c7qA-3wzdA:
99.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 4 THR B  94
VAL B 205
GLY B 220
THR B 209
 None
None
None
LLP  B 210 ( 3.5A)
 1.05A 3cflA-4iyoB:
undetectable		 3cflA-4iyoB:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		 4p7y METHIONINE
GAMMA-LYASE
(Citrobacter
freundii) 		4 / 4 THR A  94
VAL A 205
GLY A 220
THR A 209
 None
None
LLP  A 210 ( 4.8A)
LLP  A 210 ( 3.4A)
 1.04A 3cflA-4p7yA:
undetectable		 3cflA-4p7yA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		8 / 9 TYR A   7
PHE A   8
PRO A   9
VAL A  10
GLY A  12
ARG A  13
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.31A 3csjB-3o76A:
36.4		 3csjB-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DGQ_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		4 / 5 TYR A   7
ARG A  13
TYR A 108
THR A 109
 None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
None
 0.17A 3dgqA-3o76A:
36.4		 3dgqA-3o76A:
84.69
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.
3EBZ_B_017B201_2
(PROTEASE)		 4p7y METHIONINE
GAMMA-LYASE
(Citrobacter
freundii) 		5 / 11 GLY A 244
ILE A 222
VAL A 208
GLY A  88
ILE A  89
 None
None
None
LLP  A 210 ( 3.5A)
LLP  A 210 ( 4.3A)
 1.04A 3ebzB-4p7yA:
undetectable		 3ebzB-4p7yA:
14.72
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.
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.
3FO7_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4nyq MILK PROTEIN
(Diploptera
punctata) 		4 / 5 HIS A 103
TYR A 101
PRO A   3
LYS A   1
 GOL  A 210 ( 4.2A)
GOL  A 210 (-4.8A)
GOL  A 210 (-4.2A)
None
 1.13A 3fo7A-4nyqA:
undetectable		 3fo7A-4nyqA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FO7_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 5 HIS A  46
ASP A  47
TYR A  50
PRO A  60
LYS A  61
 None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
 1.03A 3fo7A-5wzmA:
20.3		 3fo7A-5wzmA:
34.96
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.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 7 GLN B 246
GLY B  88
GLY B 220
ALA B  91
 None
LLP  B 210 ( 3.3A)
None
None
 0.82A 3fpjB-4iyoB:
2.4		 3fpjB-4iyoB:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 11 LEU A 840
VAL A 848
ALA A 866
VAL A 899
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.61A 3g0eA-3wzdA:
33.2		 3g0eA-3wzdA:
50.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 11 LEU A 840
VAL A 848
ALA A 866
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.71A 3g0fA-3wzdA:
33.6		 3g0fA-3wzdA:
52.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 10 LEU A 840
VAL A 848
ALA A 866
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.66A 3g0fB-3wzdA:
34.2		 3g0fB-3wzdA:
52.13
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.
3G9E_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 SER A  31
LEU A 180
VAL A 175
HIS A 187
TYR A 152
 TTP  A1210 (-3.3A)
None
None
None
None
 1.29A 3g9eA-2jcsA:
undetectable		 3g9eA-2jcsA:
21.83
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 ALA A 700
GLU A 715
LEU A 719
ILE A 729
HIS A 795
ASP A 828
 ADP  A2101 (-3.5A)
None
None
None
None
SR  A2103 (-2.6A)
 1.27A 3gp0A-3lj0A:
20.9		 3gp0A-3lj0A:
27.98
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
GLU A 715
LEU A 719
ILE A 729
HIS A 795
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
None
None
 0.83A 3gp0A-3lj0A:
20.9		 3gp0A-3lj0A:
27.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 PHE A   8
VAL A  10
TYR A 108
THR A 105
GLY A 205
 GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 1.14A 3gssA-3o76A:
36.6		 3gssA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 7 TYR A   7
PHE A   8
VAL A  10
TYR A 108
THR A 109
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 0.19A 3gssA-3o76A:
36.6		 3gssA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GSS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 7 PHE A   8
VAL A  10
TYR A 108
THR A 105
GLY A 205
 GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 1.06A 3gssB-3o76A:
36.6		 3gssB-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GSS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 7 TYR A   7
PHE A   8
VAL A  10
TYR A 108
THR A 109
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.1A)
None
GTB  A 210 (-3.7A)
 0.35A 3gssB-3o76A:
36.6		 3gssB-3o76A:
84.69
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Caldanaerobacter
subterraneus) 		5 / 12 LEU A 131
ILE A 130
LYS A 133
LEU A 175
TYR A 180
 None
None
IMP  A1210 (-3.0A)
None
None
 1.45A 3gwxB-1yfzA:
undetectable		 3gwxB-1yfzA:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H1X_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 5 HIS A  46
ASP A  47
TYR A  50
PRO A  60
 None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
 0.46A 3h1xA-5wzmA:
20.5		 3h1xA-5wzmA:
34.96
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 3u04 PEPTIDE DEFORMYLASE
1
(Ehrlichia
chaffeensis) 		5 / 12 MET A  35
LEU A  47
GLY A  46
LEU A 158
ILE A  92
 None
None
BB2  A 210 (-4.6A)
None
None
 1.28A 3h52A-3u04A:
undetectable		 3h52A-3u04A:
22.05
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
GLU A 715
LEU A 719
ILE A 729
LEU A 747
 ADP  A2101 (-3.5A)
None
None
None
None
 0.86A 3hecA-3lj0A:
19.9		 3hecA-3lj0A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
LYS A 702
GLU A 715
ILE A 729
LEU A 747
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
 0.73A 3hecA-3lj0A:
19.9		 3hecA-3lj0A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 689
ALA A 700
LYS A 702
LEU A 719
ILE A 729
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
 0.75A 3hegA-3lj0A:
19.8		 3hegA-3lj0A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 8 TYR A   7
PHE A   8
VAL A  10
TRP A  38
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.0A)
GTB  A 210 (-3.7A)
 0.19A 3hjoA-3o76A:
36.6		 3hjoA-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJO_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 8 PHE A   8
VAL A  10
TRP A  38
ASN A 204
GLY A 205
 GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.30A 3hjoB-3o76A:
36.6		 3hjoB-3o76A:
84.21
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.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 TRP A  57
MET A  69
TYR A  70
PHE A  80
MET A  88
ARG A 105
ALA A 110
PHE A 114
 None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 1.07A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		8 / 12 TRP A  57
TYR A  70
PHE A  80
GLN A  81
MET A  88
ARG A 105
ALA A 110
PHE A 114
 None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 1.04A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
None
 1.27A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
MET A  88
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
None
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.86A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		9 / 12 VAL A  54
TRP A  57
TYR A  70
PHE A  80
GLN A  81
MET A  88
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.85A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 680
LYS A 702
ILE A 743
ARG A 796
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
 1.03A 3ik3A-3lj0A:
21.5		 3ik3A-3lj0A:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 680
LYS A 702
ILE A 743
ARG A 796
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
 0.99A 3ik3B-3lj0A:
21.2		 3ik3B-3lj0A:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Caldanaerobacter
subterraneus) 		3 / 3 ARG A 136
ASP A 132
ASP A 105
 None
None
IMP  A1210 (-4.2A)
 0.85A 3jayA-1yfzA:
3.0		 3jayA-1yfzA:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.15A 3kecA-3ediA:
9.8		 3kecA-3ediA:
22.48
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A  92
GLU A  93
HIS A  96
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
 0.11A 3kecB-3ediA:
9.9		 3kecB-3ediA:
22.48
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3u04 PEPTIDE DEFORMYLASE
1
(Ehrlichia
chaffeensis) 		3 / 3 HIS A 153
GLU A 154
HIS A 157
 ZN  A 200 ( 3.3A)
BB2  A 210 (-2.7A)
ZN  A 200 ( 3.3A)
 0.22A 3kecB-3u04A:
undetectable		 3kecB-3u04A:
17.82
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		5 / 12 GLN B 246
GLY B  88
GLY B 220
LEU B 212
ALA B  91
 None
LLP  B 210 ( 3.3A)
None
None
None
 0.94A 3kkzA-4iyoB:
undetectable		 3kkzA-4iyoB:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		5 / 12 GLN B 246
GLY B  88
GLY B 220
LEU B 212
ALA B  91
 None
LLP  B 210 ( 3.3A)
None
None
None
 0.98A 3kkzB-4iyoB:
2.4		 3kkzB-4iyoB:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 5frv POSITIVE
PHENOL-DEGRADATIVE
GENE REGULATOR
(Cupriavidus
necator) 		4 / 4 GLY A  71
TYR A 157
GLY A  75
ASP A  78
 None
PCR  A1210 ( 4.8A)
None
None
 1.23A 3kl3A-5frvA:
undetectable		 3kl3A-5frvA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 10 TYR A   7
PHE A   8
VAL A  10
GLY A  12
TRP A  38
ASN A 204
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.25A 3km6A-3o76A:
36.4		 3km6A-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KM6_B_EAAB222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		5 / 9 PHE A   8
VAL A  10
VAL A 104
ASN A 204
GLY A 205
 GTB  A 210 (-4.5A)
None
None
None
GTB  A 210 (-3.7A)
 1.29A 3km6B-3o76A:
36.6		 3km6B-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KM6_B_EAAB222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 9 TYR A   7
PHE A   8
VAL A  10
TRP A  38
ASN A 204
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.27A 3km6B-3o76A:
36.6		 3km6B-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 9 TYR A   7
PHE A   8
VAL A  10
GLY A  12
TRP A  38
ASN A 204
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.32A 3kmoA-3o76A:
36.0		 3kmoA-3o76A:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		6 / 7 TYR A   7
PHE A   8
VAL A  10
TRP A  38
ASN A 204
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-4.0A)
None
GTB  A 210 (-3.7A)
 0.35A 3kmoB-3o76A:
36.2		 3kmoB-3o76A:
84.21
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 THR A 237
VAL A 210
ILE A 276
SER A 272
PRO A 208
 THR  A 237 ( 0.8A)
VAL  A 210 ( 0.6A)
ILE  A 276 ( 0.6A)
SER  A 272 ( 0.0A)
PRO  A 208 ( 1.1A)
 1.24A 3kpbA-2vbfA:
undetectable		 3kpbA-2vbfA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens) 		4 / 7 TYR A  90
TYR A 375
PHE A 379
TYR A 382
 OLA  A1210 (-3.9A)
None
None
None
 1.24A 3ku9B-6bqhA:
undetectable		 3ku9B-6bqhA:
9.11
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.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 8 PHE A 210
ALA A 176
ALA A 191
LEU A 101
 PHE  A 210 ( 1.3A)
ALA  A 176 ( 0.0A)
ALA  A 191 ( 0.0A)
LEU  A 101 ( 0.6A)
 0.93A 3l4dA-3ulkA:
undetectable		 3l4dA-3ulkA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_D_DVAD8_0
(GRAMICIDIN D)		 5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4) 		3 / 3 VAL A 285
VAL A 280
TRP A 282
 None
OLA  A1210 ( 4.5A)
None
 0.90A 3l8lC-5ee7A:
undetectable
3l8lD-5ee7A:
undetectable		 3l8lC-5ee7A:
4.11
3l8lD-5ee7A:
3.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.16A 3likA-3ediA:
10.1		 3likA-3ediA:
23.12
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.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.15A 3lilA-3ediA:
10.2		 3lilA-3ediA:
23.12
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.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.19A 3ljgA-3ediA:
10.3		 3ljgA-3ediA:
23.12
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.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.17A 3lkaA-3ediA:
9.9		 3lkaA-3ediA:
24.14
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		 5xxu RIBOSOMAL PROTEIN
ES21
(Toxoplasma
gondii) 		5 / 10 VAL V  58
SER V  64
GLY V  56
VAL V  32
GLY V  30
 None
None
U  21077 ( 4.7A)
None
None
 1.29A 3ls4H-5xxuV:
undetectable		 3ls4H-5xxuV:
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
GLY A 681
GLY A 683
VAL A 689
ALA A 700
ILE A 729
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
ADP  A2101 (-4.4A)
 0.58A 3lxnA-3lj0A:
24.3		 3lxnA-3lj0A:
23.81
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 4 ALA C 170
HIS C 136
HIS C 155
PRO C 169
 None
FES  C 210 (-3.0A)
FES  C 210 ( 3.0A)
None
 1.40A 3mbgA-1q90C:
undetectable		 3mbgA-1q90C:
17.65
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 4 ALA C 170
HIS C 136
HIS C 155
PRO C 169
 None
FES  C 210 (-3.0A)
FES  C 210 ( 3.0A)
None
 1.39A 3mbgC-1q90C:
undetectable		 3mbgC-1q90C:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 11 ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.65A 3miyA-3wzdA:
31.4		 3miyA-3wzdA:
33.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		6 / 9 ILE A  29
GLN A  81
ARG A 105
PHE A 114
TYR A 179
LEU A 183
 TTP  A1210 (-3.9A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
None
None
 0.88A 3mjrA-2jcsA:
23.7		 3mjrA-2jcsA:
28.98
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.
3MJR_B_AC2B401_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 9 ILE A  29
PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.74A 3mjrB-2jcsA:
23.3		 3mjrB-2jcsA:
28.98
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		4 / 8 PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 1.19A 3mjrD-2jcsA:
21.7		 3mjrD-2jcsA:
28.98
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		4 / 8 TYR A  70
PHE A  80
GLN A  81
ARG A 105
 TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
 0.92A 3mjrD-2jcsA:
21.7		 3mjrD-2jcsA:
28.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 8 TYR A   7
PHE A   8
VAL A  10
ARG A  13
TRP A  38
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.0A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.46A 3n9jA-3o76A:
36.5		 3n9jA-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		7 / 8 TYR A   7
PHE A   8
VAL A  10
GLY A  12
ARG A  13
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.35A 3n9jB-3o76A:
36.1		 3n9jB-3o76A:
84.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		 3o76 GLUTATHIONE
S-TRANSFERASE P 1
(Mus
musculus) 		4 / 8 TYR A 108
GLY A 205
TYR A   7
GLY A  12
 GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
None
None
 0.73A 3n9jB-3o76A:
36.1		 3n9jB-3o76A:
84.69
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 689
ALA A 700
LYS A 702
CYH A 748
PHE A 829
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
None
 0.77A 3og7A-3lj0A:
18.3		 3og7A-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 GLY A 681
VAL A 689
ALA A 700
LYS A 702
ILE A 729
LEU A 804
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.4A)
 1.01A 3ohtA-3lj0A:
5.1		 3ohtA-3lj0A:
27.08
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.
3OHT_A_1N1A1000_1
(P38A)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 GLY A 681
VAL A 689
ALA A 700
LYS A 702
LEU A 719
ILE A 729
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
 0.74A 3ohtA-3lj0A:
5.1		 3ohtA-3lj0A:
27.08
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.
3OHT_B_1N1B1000_1
(P38A)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 GLY A 681
VAL A 689
ALA A 700
LYS A 702
LEU A 719
ILE A 729
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
 0.68A 3ohtB-3lj0A:
3.2		 3ohtB-3lj0A:
27.08
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.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 LEU A 680
LYS A 702
ILE A 743
ARG A 796
VAL A 728
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
None
 1.23A 3oxzA-3lj0A:
21.5		 3oxzA-3lj0A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 2i82 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE A
(Escherichia
coli) 		4 / 7 GLN A 125
HIS A 162
ARG A 165
PRO A 156
 A  E1211 ( 3.7A)
G  E1210 ( 3.8A)
None
None
 1.42A 3ql6A-2i82A:
undetectable		 3ql6A-2i82A:
17.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
VAL A 899
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.79A 3qlgB-3wzdA:
25.3		 3qlgB-3wzdA:
35.26
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.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 5 PHE A   5
ILE A   9
GLY A  28
HIS A  46
 None
None
CA  A 210 (-4.3A)
None
 0.61A 3r0lD-5wzmA:
20.9		 3r0lD-5wzmA:
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 1nf9 PHENAZINE
BIOSYNTHESIS PROTEIN
PHZD
(Pseudomonas
aeruginosa) 		5 / 12 ASP A  38
PHE A  43
TRP A  94
LYS A 122
TYR A 125
 None
None
FMT  A 210 ( 4.4A)
None
None
 0.84A 3r2jC-1nf9A:
20.2		 3r2jC-1nf9A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 VAL A 689
ALA A 700
GLU A 715
LEU A 719
ILE A 729
LEU A 788
HIS A 795
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
None
None
None
 0.63A 3rgfA-3lj0A:
8.0		 3rgfA-3lj0A:
26.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_A_VIBA191_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		6 / 10 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 1.01A 3rlbA-4mesA:
34.1		 3rlbA-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 ILE A  36
GLU A  38
GLU A  84
HIS A 125
TYR A 136
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-3.4A)
None
 1.36A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		11 / 12 ILE A  36
GLU A  38
GLU A  84
TYR A  85
TYR A 122
HIS A 125
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-4.6A)
None
26G  A 203 (-3.4A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.15A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		6 / 12 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.99A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 8 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 210 (-2.6A)
 1.38A 3rodA-3einA:
undetectable		 3rodA-3einA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_B_NCAB302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 9 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 210 (-2.6A)
 1.44A 3rodB-3einA:
0.0		 3rodB-3einA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.79A 3s33A-3ediA:
undetectable		 3s33A-3ediA:
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.75A 3s38A-3ediA:
undetectable		 3s38A-3ediA:
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.80A 3s3aA-3ediA:
undetectable		 3s3aA-3ediA:
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 2qtv SMALL COPII COAT
GTPASE SAR1
(Saccharomyces
cerevisiae) 		4 / 5 ASP B  73
LEU B  74
ILE B  94
PHE B  96
 MG  B 210 ( 4.2A)
None
None
None
 1.15A 3s3vA-2qtvB:
undetectable		 3s3vA-2qtvB:
23.27
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 8 ILE K  45
LEU K  49
LYS K  23
GLY K  24
 None
None
G  21097 ( 3.7A)
None
 0.93A 3selX-5jb3K:
undetectable		 3selX-5jb3K:
18.52
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)		 5lal DIRIGENT PROTEIN 6
(Arabidopsis
thaliana) 		4 / 6 ILE A 133
LEU A 120
LYS A 178
PHE A  45
 None
None
EDO  A 210 ( 4.7A)
GLY  A 216 ( 4.9A)
 1.03A 3sj1X-5lalA:
undetectable		 3sj1X-5lalA:
16.46
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 PHE B 293
LEU B 173
GLY B 179
LEU B 180
ALA B 285
 None
None
CLA  B1210 ( 4.7A)
CLA  B1210 (-3.6A)
None
 1.13A 3tbgD-6fosB:
undetectable		 3tbgD-6fosB:
12.98
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 6 GLY B  88
VAL B 219
SER B  87
THR B 209
 LLP  B 210 ( 3.3A)
LLP  B 210 ( 4.8A)
LLP  B 210 ( 3.7A)
LLP  B 210 ( 3.5A)
 1.13A 3tj7A-4iyoB:
undetectable
3tj7B-4iyoB:
undetectable		 3tj7A-4iyoB:
18.23
3tj7B-4iyoB:
18.23
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.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 6 GLY B  88
VAL B 219
SER B  87
THR B 209
 LLP  B 210 ( 3.3A)
LLP  B 210 ( 4.8A)
LLP  B 210 ( 3.7A)
LLP  B 210 ( 3.5A)
 1.12A 3tj7C-4iyoB:
undetectable
3tj7D-4iyoB:
undetectable		 3tj7C-4iyoB:
18.23
3tj7D-4iyoB:
18.23
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.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 6 VAL B 219
SER B  87
THR B 209
GLY B  88
 LLP  B 210 ( 4.8A)
LLP  B 210 ( 3.7A)
LLP  B 210 ( 3.5A)
LLP  B 210 ( 3.3A)
 1.11A 3tj7C-4iyoB:
undetectable
3tj7D-4iyoB:
undetectable		 3tj7C-4iyoB:
18.23
3tj7D-4iyoB:
18.23
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		3 / 3 PRO A  54
THR A  55
LEU A  32
 GSH  A 210 (-4.3A)
None
None
 0.70A 3ttrA-3einA:
undetectable		 3ttrA-3einA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		5 / 12 GLY A 167
ALA A 128
GLY A 129
ASN A 210
MET A 234
 GLY  A 167 ( 0.0A)
ALA  A 128 ( 0.0A)
GLY  A 129 ( 0.0A)
ASN  A 210 ( 0.6A)
MET  A 234 ( 0.0A)
 1.23A 3v3oA-4ursA:
undetectable		 3v3oA-4ursA:
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.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 GLY A 210
THR A  50
ASN A 183
 GLY  A 210 ( 0.0A)
THR  A  50 ( 0.8A)
ASN  A 183 ( 0.6A)
 0.62A 3v4tD-1wqaA:
undetectable		 3v4tD-1wqaA:
24.90
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 GLY A 683
VAL A 689
ALA A 700
LYS A 702
LEU A 804
SER A 827
 ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.4A)
ADP  A2101 ( 4.4A)
 0.82A 3v5wA-3lj0A:
7.8		 3v5wA-3lj0A:
21.56
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.44A 3vt3A-3akcA:
undetectable		 3vt3A-3akcA:
19.64
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
LEU A 719
LEU A 788
HIS A 795
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
 0.66A 3wzeA-3lj0A:
22.1		 3wzeA-3lj0A:
25.81
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 VAL A 728
CYH A 748
LEU A 804
ILE A 826
 None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
None
 0.37A 3wzeA-3lj0A:
22.1		 3wzeA-3lj0A:
25.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 8 VAL A 898
VAL A 899
CYH A 919
LEU A1035
ILE A1044
CYH A1045
 None
None
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
None
GOL  A1210 ( 3.3A)
 0.39A 3wzeA-3wzdA:
38.9		 3wzeA-3wzdA:
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
LEU A 745
LEU A 747
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.47A 3zbfA-3lj0A:
24.3		 3zbfA-3lj0A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
ALA A 700
LYS A 702
GLU A 715
LEU A 788
HIS A 795
ARG A 796
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
TPO  A 844 ( 3.0A)
ADP  A2101 (-4.4A)
 0.98A 3zosA-3lj0A:
20.9		 3zosA-3lj0A:
24.34
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 ALA A 700
LYS A 702
GLU A 715
ILE A 729
LEU A 788
HIS A 795
ARG A 796
LEU A 804
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
None
TPO  A 844 ( 3.0A)
ADP  A2101 (-4.4A)
 0.87A 3zosB-3lj0A:
20.8		 3zosB-3lj0A:
24.34
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 6 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.18A 4a7bA-3ediA:
9.8		 4a7bA-3ediA:
23.08
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 8 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 0.95A 4a97D-5jb3Z:
undetectable		 4a97D-5jb3Z:
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 7 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 1.10A 4a97H-5jb3Z:
undetectable		 4a97H-5jb3Z:
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 8 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 1.05A 4a97I-5jb3Z:
undetectable		 4a97I-5jb3Z:
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.
4A99_D_MIYD392_1
(TETX2 PROTEIN)		 4uyr FLOCCULATION PROTEIN
FLO11
(Saccharomyces
cerevisiae) 		4 / 5 HIS A   7
SER A  69
SER A  67
VAL A  68
 PO4  A1210 ( 4.0A)
MG  A1209 (-3.0A)
None
None
 1.47A 4a99D-4uyrA:
undetectable		 4a99D-4uyrA:
25.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
VAL A 899
VAL A 916
PHE A 918
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
None
LEV  A1201 ( 4.6A)
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.47A 4ag8A-3wzdA:
38.5		 4ag8A-3wzdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
VAL A 916
PHE A 918
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.7A)
LEV  A1201 ( 4.6A)
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.61A 4ag8A-3wzdA:
38.5		 4ag8A-3wzdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
LEU A 889
VAL A 916
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
LEV  A1201 ( 4.4A)
LEV  A1201 ( 4.6A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.46A 4agcA-3wzdA:
38.3		 4agcA-3wzdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 11 LEU A 840
ALA A 866
VAL A 899
VAL A 916
PHE A 918
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 (-3.5A)
None
LEV  A1201 ( 4.6A)
LEV  A1201 (-4.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.33A 4agdA-3wzdA:
37.6		 4agdA-3wzdA:
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.44A 4anqA-3lj0A:
23.0		 4anqA-3lj0A:
22.24
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
LEU A 719
LEU A 788
HIS A 795
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
None
 0.78A 4asdA-3lj0A:
21.9		 4asdA-3lj0A:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 6 ILE A 892
VAL A 899
CYH A 919
LEU A1035
ILE A1044
CYH A1045
 None
None
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
None
GOL  A1210 ( 3.3A)
 0.39A 4asdA-3wzdA:
38.3		 4asdA-3wzdA:
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
GLU A 715
LEU A 719
ILE A 743
HIS A 795
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
None
None
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 1.09A 4c8bA-3lj0A:
22.8		 4c8bA-3lj0A:
27.03
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
LYS A 702
GLU A 715
LEU A 719
ILE A 743
HIS A 795
LEU A 804
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
None
ADP  A2101 (-4.4A)
 0.66A 4c8bA-3lj0A:
22.8		 4c8bA-3lj0A:
27.03
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.
4C9K_A_CAMA424_0
(CYTOCHROME P450)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 9 TRP A 279
THR A 283
LEU A 359
LEU A 360
GLY A 357
 None
None
7DY  A1210 ( 4.9A)
None
None
 1.40A 4c9kA-5u09A:
undetectable		 4c9kA-5u09A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9K_B_CAMB424_0
(CYTOCHROME P450)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 9 TRP A 279
THR A 283
LEU A 359
LEU A 360
GLY A 357
 None
None
7DY  A1210 ( 4.9A)
None
None
 1.37A 4c9kB-5u09A:
undetectable		 4c9kB-5u09A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9P_A_CAMA423_0
(CYTOCHROME P450)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 9 TRP A 279
THR A 283
LEU A 359
LEU A 360
GLY A 357
 None
None
7DY  A1210 ( 4.9A)
None
None
 1.40A 4c9pA-5u09A:
undetectable		 4c9pA-5u09A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9P_A_CAMA423_0
(CYTOCHROME P450)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 9 TRP A 279
THR A 283
LEU A 359
LEU A 360
VAL A 204
 None
None
7DY  A1210 ( 4.9A)
None
None
 1.40A 4c9pA-5u09A:
undetectable		 4c9pA-5u09A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 11 LEU A 680
GLY A 681
GLY A 683
VAL A 689
ALA A 700
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-4.4A)
 0.73A 4ckiA-3lj0A:
25.4		 4ckiA-3lj0A:
23.77
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.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 THR A 148
ALA A 127
LEU A 101
PHE A 210
ILE A 136
 THR  A 148 ( 0.8A)
ALA  A 127 ( 0.0A)
LEU  A 101 ( 0.6A)
PHE  A 210 ( 1.3A)
ILE  A 136 ( 0.7A)
 1.46A 4claA-3ulkA:
undetectable		 4claA-3ulkA:
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES
(Corynebacterium
glutamicum) 		5 / 10 ALA A   8
ASP A  63
VAL A  75
VAL A  17
ILE A  16
 EDO  A 205 (-3.9A)
EDO  A 210 (-3.5A)
None
None
None
 1.08A 4dqcA-2qecA:
undetectable		 4dqcA-2qecA:
17.89
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ
(Bacillus
halodurans) 		5 / 12 PHE A 111
ILE A  29
GLY A 150
ALA A 151
GLY A  41
 None
EDO  A 210 (-3.8A)
EDO  A 204 ( 3.8A)
None
None
 1.05A 4e1gA-1vraA:
undetectable		 4e1gA-1vraA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ
(Bacillus
halodurans) 		5 / 12 PHE A 111
ILE A  29
GLY A 150
ALA A 151
GLY A  41
 None
EDO  A 210 (-3.8A)
EDO  A 204 ( 3.8A)
None
None
 1.05A 4e1gB-1vraA:
undetectable		 4e1gB-1vraA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_A_ACTA1002_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 5jb3 30S RIBOSOMAL
PROTEIN S2
(Pyrococcus
abyssi) 		4 / 5 THR B 102
GLN B 125
GLU B 129
THR B 100
 A  21053 ( 3.1A)
A  21053 ( 2.5A)
A  21053 ( 2.9A)
None
 1.27A 4eahA-5jb3B:
undetectable
4eahE-5jb3B:
undetectable
4eahG-5jb3B:
undetectable		 4eahA-5jb3B:
19.10
4eahE-5jb3B:
19.10
4eahG-5jb3B:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 ASP A 210
ARG A 193
ASP A 208
 ASP  A 210 ( 0.6A)
ARG  A 193 ( 0.6A)
ASP  A 208 ( 0.5A)
 0.90A 4fp9F-1rrvA:
3.6		 4fp9F-1rrvA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HBF_A_DXCA75_0
(PPCA)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 7 ILE K  45
LEU K  49
LYS K  23
GLY K  24
 None
None
G  21097 ( 3.7A)
None
 0.74A 4hbfA-5jb3K:
undetectable		 4hbfA-5jb3K:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HC3_A_DXCA75_0
(PPCA)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 7 ILE K  45
LEU K  49
LYS K  23
GLY K  24
 None
None
G  21097 ( 3.7A)
None
 0.79A 4hc3A-5jb3K:
undetectable		 4hc3A-5jb3K:
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 VAL A 689
ALA A 700
ILE A 729
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.85A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 VAL A 689
ILE A 729
ASP A 754
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
None
ADP  A2101 ( 4.9A)
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.93A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 VAL A 689
ALA A 700
LYS A 702
LEU A 745
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
SR  A2103 (-2.6A)
 0.39A 4iaaA-3lj0A:
24.5		 4iaaA-3lj0A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 2v6u PTERIN-4A-CARBINOLAM
INE DEHYDRATASE
(Toxoplasma
gondii) 		4 / 8 VAL A  74
ASN A  64
ILE A  33
MET A  95
 None
NA  A2104 ( 4.5A)
None
None
 1.06A 4iilA-2v6uA:
undetectable		 4iilA-2v6uA:
14.96
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		4 / 9 CYH A 386
PHE A 268
ILE A 362
MET A 363
 7DY  A1210 (-3.8A)
7DY  A1210 ( 4.7A)
None
None
 1.37A 4jvlA-5u09A:
undetectable		 4jvlA-5u09A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA502_0
(RNA POLYMERASE
3D-POL)		 6g5i SERINE/THREONINE-PRO
TEIN KINASE RIO1
(Homo
sapiens) 		3 / 3 ARG z 534
LYS z 535
LYS z 531
 None
G  21043 ( 2.7A)
G  21044 ( 4.1A)
 1.08A 4k50A-6g5iz:
undetectable		 4k50A-6g5iz:
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.
4K50_E_ACTE502_0
(RNA POLYMERASE
3D-POL)		 6g5i SERINE/THREONINE-PRO
TEIN KINASE RIO1
(Homo
sapiens) 		3 / 3 ARG z 534
LYS z 535
LYS z 531
 None
G  21043 ( 2.7A)
G  21044 ( 4.1A)
 0.95A 4k50E-6g5iz:
undetectable		 4k50E-6g5iz:
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.
4K50_I_ACTI506_0
(RNA POLYMERASE
3D-POL)		 6g5i SERINE/THREONINE-PRO
TEIN KINASE RIO1
(Homo
sapiens) 		3 / 3 ARG z 534
LYS z 535
LYS z 531
 None
G  21043 ( 2.7A)
G  21044 ( 4.1A)
 1.02A 4k50I-6g5iz:
undetectable		 4k50I-6g5iz:
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 10 ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.48A 4ks8A-3wzdA:
23.1		 4ks8A-3wzdA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_2
(PROTEASE)		 2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES
(Corynebacterium
glutamicum) 		5 / 9 ALA A   8
ASP A  63
VAL A  75
VAL A  17
ILE A  16
 EDO  A 205 (-3.9A)
EDO  A 210 (-3.5A)
None
None
None
 1.13A 4ll3B-2qecA:
undetectable		 4ll3B-2qecA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		 4m6w FANCONI ANEMIA GROUP
M PROTEIN
(Homo
sapiens) 		3 / 3 ILE A1930
MET A1861
ARG A1860
 None
None
SO4  A2102 ( 3.7A)
 0.72A 4lnwA-4m6wA:
undetectable		 4lnwA-4m6wA:
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.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)		 4m6w FANCONI ANEMIA GROUP
M PROTEIN
(Homo
sapiens) 		3 / 3 ILE A1930
MET A1861
ARG A1860
 None
None
SO4  A2102 ( 3.7A)
 0.74A 4lnxA-4m6wA:
undetectable		 4lnxA-4m6wA:
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		3 / 3 TRP A  95
GLN A  87
THR A  94
 EDO  A 210 (-4.3A)
None
PG4  A 218 ( 4.9A)
 0.93A 4m2xA-3ppbA:
undetectable		 4m2xA-3ppbA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		4 / 5 LEU A 146
GLY A 153
ILE A 211
GLN A 210
 LEU  A 146 ( 0.6A)
GLY  A 153 ( 0.0A)
ILE  A 211 ( 0.7A)
GLN  A 210 ( 0.6A)
 1.08A 4ma8C-1txuA:
2.1		 4ma8C-1txuA:
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
GLY A 683
VAL A 689
LYS A 702
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.84A 4mkcA-3lj0A:
23.5		 4mkcA-3lj0A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
LEU A 745
LEU A 747
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.60A 4mkcA-3lj0A:
23.5		 4mkcA-3lj0A:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
VAL A 899
GLY A 922
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.7A)
None
LEV  A1201 (-3.6A)
GOL  A1210 ( 3.4A)
 0.86A 4mxoA-3wzdA:
30.3		 4mxoA-3wzdA:
35.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
VAL A 899
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.7A)
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.82A 4mxoB-3wzdA:
30.4		 4mxoB-3wzdA:
35.26
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.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.94A 4mxyA-3lj0A:
24.5		 4mxyA-3lj0A:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
VAL A 899
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.75A 4mxyB-3wzdA:
30.4		 4mxyB-3wzdA:
35.58
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.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.94A 4mxzA-3lj0A:
24.5		 4mxzA-3lj0A:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
VAL A 899
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.75A 4mxzB-3wzdA:
30.4		 4mxzB-3wzdA:
35.58
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 5 ASN B 213
SER B 207
LEU B 340
ASN B 160
 None
LLP  B 210 ( 2.6A)
LLP  B 210 (-4.3A)
NAK  B 402 (-3.3A)
 1.12A 4n09C-4iyoB:
undetectable		 4n09C-4iyoB:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 5erm FUSICOCCADIENE
SYNTHASE
(Diaporthe
amygdali) 		4 / 6 ASP A  96
ASP A  92
ASN A 232
ARG A 188
 MG  A 403 (-2.4A)
MG  A 404 (-2.3A)
210  A 401 ( 2.5A)
210  A 401 ( 2.3A)
 1.29A 4ntxA-5ermA:
undetectable
4ntxC-5ermA:
undetectable		 4ntxA-5ermA:
21.71
4ntxC-5ermA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 11 LEU A 680
GLY A 681
VAL A 689
ALA A 700
LYS A 702
ASN A 802
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
 0.56A 4o0sA-3lj0A:
26.5		 4o0sA-3lj0A:
22.72
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 6 LEU A 680
GLY A 681
VAL A 689
ALA A 700
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-4.4A)
 0.33A 4o0wA-3lj0A:
25.5		 4o0wA-3lj0A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		5 / 12 SER A  31
LEU A 180
VAL A 175
PHE A 114
HIS A 187
 TTP  A1210 (-3.3A)
None
None
TTP  A1210 (-3.5A)
None
 0.88A 4o8fB-2jcsA:
undetectable		 4o8fB-2jcsA:
23.63
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 7 ALA A 700
CYH A 748
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-4.2A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.59A 4ogrE-3lj0A:
24.1		 4ogrE-3lj0A:
25.77
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 7 ALA A 866
CYH A 919
ASN A1033
LEU A1035
ASP A1046
 LEV  A1201 (-3.5A)
LEV  A1201 (-4.1A)
GOL  A1210 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.77A 4ogrE-3wzdA:
22.7		 4ogrE-3wzdA:
26.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 GLY A 683
VAL A 689
ALA A 700
CYH A 748
ASN A 802
LEU A 804
 ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-4.2A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
 1.00A 4ogrI-3lj0A:
24.6		 4ogrI-3lj0A:
25.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q56_A_ACTA201_0
(HELIX ASPERSA
AGGLUTININ (HAA))		 4q56 HELIX ASPERSA
AGGLUTININ (HAA)
(Helix
aspersa) 		4 / 4 ASN A  62
ARG A  64
HIS A  85
ASN A  86
 A2G  A 202 ( 3.8A)
A2G  A 202 ( 3.8A)
ZN  A 210 (-3.2A)
ACT  A 201 (-3.5A)
 0.00A 4q56A-4q56A:
22.0		 4q56A-4q56A:
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 1ktc ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Gallus
gallus) 		5 / 12 SER A 145
GLU A 123
ASP A 120
TYR A 153
GLY A 152
 SO4  A2102 (-4.7A)
None
None
None
None
 1.37A 4qb9E-1ktcA:
0.0		 4qb9E-1ktcA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 11 ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.80A 4qmsA-3lj0A:
25.9		 4qmsA-3lj0A:
27.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 VAL A 689
ALA A 700
LYS A 702
GLU A 715
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.91A 4r7iA-3lj0A:
21.7		 4r7iA-3lj0A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A 222
ALA A 223
SER A 227
ASN A 219
SER A 216
 None
None
None
None
NAD  A2101 (-2.8A)
 1.29A 4rtpA-1sc6A:
4.9		 4rtpA-1sc6A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2vt2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Bacillus
subtilis) 		5 / 12 GLY A  94
ASP A 118
ILE A 119
ASN A 120
PRO A 154
 NAD  A1210 (-3.3A)
NAD  A1210 (-2.8A)
NAD  A1210 (-4.0A)
None
NAD  A1210 (-4.1A)
 0.94A 4rtsA-2vt2A:
undetectable		 4rtsA-2vt2A:
18.48
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 ALA A 700
LYS A 702
ILE A 729
LEU A 747
LEU A 804
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
 0.81A 4rz7A-3lj0A:
8.3		 4rz7A-3lj0A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 1q90 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 5 ILE B 165
PRO B 155
HIS C 155
VAL B 175
 TDS  D 920 ( 4.7A)
TDS  D 920 ( 4.7A)
FES  C 210 ( 3.0A)
None
 1.35A 4s0vA-1q90B:
6.0		 4s0vA-1q90B:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA303_0
(THAUMATIN-1)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 7 LEU A 250
SER A 252
ILE A 236
VAL A 210
 LEU  A 250 ( 0.6A)
SER  A 252 ( 0.0A)
ILE  A 236 ( 0.6A)
VAL  A 210 ( 0.6A)
 1.15A 4tvtA-2vbfA:
undetectable		 4tvtA-2vbfA:
15.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
PHE A 918
GLY A 922
ASN A1033
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
GOL  A1210 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.77A 4twpA-3wzdA:
31.8		 4twpA-3wzdA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
PHE A 918
GLY A 922
ASN A1033
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
GOL  A1210 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.78A 4twpB-3wzdA:
32.2		 4twpB-3wzdA:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
LYS A 702
LEU A 719
CYH A 748
HIS A 795
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.2A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 1.01A 4u0iA-3lj0A:
22.0		 4u0iA-3lj0A:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 ALA A 866
LEU A 889
CYH A 919
GLY A 922
CYH A1024
HIS A1026
LEU A1035
CYH A1045
 LEV  A1201 (-3.5A)
LEV  A1201 ( 4.4A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
DTT  A1202 (-2.0A)
None
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.53A 4u0iA-3wzdA:
35.3		 4u0iA-3wzdA:
53.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 ALA A 866
LYS A 868
LEU A 889
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 (-3.5A)
None
LEV  A1201 ( 4.4A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.66A 4u0iA-3wzdA:
35.3		 4u0iA-3wzdA:
53.46
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 680
ALA A 700
LEU A 788
HIS A 795
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.4A)
 0.61A 4uxqA-3lj0A:
21.7		 4uxqA-3lj0A:
24.94
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.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 7 VAL A 689
ILE A 729
ARG A 796
ILE A 826
 ADP  A2101 (-4.5A)
None
TPO  A 844 ( 3.0A)
None
 0.88A 4uxqA-3lj0A:
21.7		 4uxqA-3lj0A:
24.94
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.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ILE A 729
ARG A 796
LEU A 804
ILE A 826
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
None
TPO  A 844 ( 3.0A)
ADP  A2101 (-4.4A)
None
 0.76A 4v01A-3lj0A:
21.6		 4v01A-3lj0A:
23.86
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 9 LEU A 680
VAL A 689
LYS A 702
ILE A 729
ARG A 796
LEU A 804
ILE A 826
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
ADP  A2101 (-4.4A)
None
 0.79A 4v01B-3lj0A:
22.0		 4v01B-3lj0A:
23.86
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 LEU A 680
VAL A 689
ILE A 729
ARG A 796
LEU A 804
ILE A 826
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
None
TPO  A 844 ( 3.0A)
ADP  A2101 (-4.4A)
None
 1.09A 4v04B-3lj0A:
22.1		 4v04B-3lj0A:
23.86
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 6 ASP A 213
ALA A 215
THR A 210
THR A 202
 ASP  A 213 ( 0.6A)
ALA  A 215 ( 0.0A)
THR  A 210 ( 0.8A)
THR  A 202 ( 0.8A)
 1.44A 4w5qA-5ep8A:
undetectable		 4w5qA-5ep8A:
19.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
LYS A 868
PHE A 918
GLY A 922
ASN A1033
LEU A1035
 LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
GOL  A1210 (-3.6A)
LEV  A1201 (-4.8A)
 0.87A 4wa9B-3wzdA:
32.3		 4wa9B-3wzdA:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 680
ALA A 700
LEU A 804
SER A 827
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
ADP  A2101 (-4.4A)
ADP  A2101 ( 4.4A)
 0.52A 4wboB-3lj0A:
22.6		 4wboB-3lj0A:
23.27
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
ALA A 700
LYS A 702
GLU A 715
LEU A 747
ASP A 754
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
 0.78A 4wkqA-3lj0A:
24.6		 4wkqA-3lj0A:
26.34
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.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 9 PRO A 394
LEU A 138
GLY A 157
SER A 390
VAL A 161
 SO4  A1209 (-4.7A)
None
None
7DY  A1210 ( 4.1A)
None
 1.45A 4x3mA-5u09A:
4.2		 4x3mA-5u09A:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		 4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens) 		5 / 12 ILE A1848
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-3.9A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 1.19A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		 4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens) 		7 / 12 MET A1772
PRO A1778
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-4.6A)
4EL  A2101 (-4.2A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 1.06A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		 4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens) 		8 / 12 PRO A1778
TRP A1780
ILE A1800
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-4.2A)
None
4EL  A2101 ( 4.4A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 0.44A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
LYS A 702
CYH A 748
ASP A 828
PHE A 829
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
SR  A2103 (-2.6A)
None
 0.81A 4xv2A-3lj0A:
18.2		 4xv2A-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
LYS A 702
CYH A 748
ASP A 828
PHE A 829
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
SR  A2103 (-2.6A)
None
 0.68A 4xv2B-3lj0A:
23.8		 4xv2B-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 SER A 208
ILE A 293
ILE A 162
GLY A 163
LEU A 154
 None
None
NAD  A2101 (-3.9A)
None
None
 0.97A 4y8wC-1sc6A:
0.0		 4y8wC-1sc6A:
23.03
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 6 ASP A 213
ALA A 215
THR A 210
THR A 202
 ASP  A 213 ( 0.6A)
ALA  A 215 ( 0.0A)
THR  A 210 ( 0.8A)
THR  A 202 ( 0.8A)
 1.44A 4z4fA-5ep8A:
undetectable		 4z4fA-5ep8A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 5lal DIRIGENT PROTEIN 6
(Arabidopsis
thaliana) 		3 / 3 LYS A 178
ARG A 176
HIS A  48
 EDO  A 210 ( 4.7A)
None
None
 1.04A 4zbrA-5lalA:
undetectable		 4zbrA-5lalA:
13.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZGF_A_BEZA210_0
(UNCHARACTERIZED
PROTEIN)		 4zgf UNCHARACTERIZED
PROTEIN
(Bacteroides
vulgatus) 		4 / 4 VAL A 144
ALA A 159
ASN A 161
GLN A 163
 None
BEZ  A 210 (-3.4A)
BEZ  A 210 (-3.9A)
BEZ  A 210 (-3.2A)
 0.00A 4zgfA-4zgfA:
30.6		 4zgfA-4zgfA:
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.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.50A 5aaaA-3lj0A:
23.5		 5aaaA-3lj0A:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 9 LEU A 840
VAL A 848
ALA A 866
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.71A 5aaaA-3wzdA:
31.4		 5aaaA-3wzdA:
35.95
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 10 LEU A 680
VAL A 689
ALA A 700
LYS A 702
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.84A 5aabA-3lj0A:
23.1		 5aabA-3lj0A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 10 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.72A 5aabA-3wzdA:
31.5		 5aabA-3wzdA:
35.95
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.43A 5aacA-3lj0A:
23.1		 5aacA-3lj0A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
LYS A 868
PHE A 918
CYH A 919
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.94A 5ajqA-3wzdA:
22.5		 5ajqA-3wzdA:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5xyi 40S RIBOSOMAL
PROTEIN S16,
PUTATIVE
RIBOSOMAL PROTEIN
S10P/S20E, PUTATIVE
(Trichomonas
vaginalis) 		4 / 5 ARG Q 135
GLY Q 128
THR U  78
GLU U  79
 U  21275 ( 3.5A)
None
U  21090 ( 3.6A)
C  21005 ( 3.5A)
 1.09A 5btiC-5xyiQ:
undetectable
5btiD-5xyiQ:
undetectable		 5btiC-5xyiQ:
15.50
5btiD-5xyiQ:
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 689
ALA A 700
LYS A 702
CYH A 748
PHE A 829
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
None
 0.73A 5cswA-3lj0A:
23.5		 5cswA-3lj0A:
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.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 689
ALA A 700
LYS A 702
CYH A 748
PHE A 829
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
None
 0.72A 5cswB-3lj0A:
23.4		 5cswB-3lj0A:
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.
5CSY_B_ACRB601_2
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 TYR A 210
HIS A 208
LEU A 291
PRO A 214
 TYR  A 210 ( 1.3A)
HIS  A 208 ( 1.0A)
LEU  A 291 ( 0.6A)
PRO  A 214 ( 1.1A)
 1.18A 5csyB-4kqnA:
3.6		 5csyB-4kqnA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CXV_A_0HKA501_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		3 / 3 THR A 210
THR A 202
PHE A 207
 THR  A 210 ( 0.8A)
THR  A 202 ( 0.8A)
PHE  A 207 ( 1.3A)
 0.83A 5cxvA-5ep8A:
undetectable		 5cxvA-5ep8A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5erm FUSICOCCADIENE
SYNTHASE
(Diaporthe
amygdali) 		6 / 9 ASP A  92
ARG A 188
ASN A 232
SER A 236
GLU A 240
ARG A 325
 MG  A 404 (-2.3A)
210  A 401 ( 2.3A)
210  A 401 ( 2.5A)
MG  A 405 ( 2.3A)
MG  A 405 (-2.5A)
210  A 401 (-3.1A)
 0.71A 5dz2A-5ermA:
23.1		 5dz2A-5ermA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5erm FUSICOCCADIENE
SYNTHASE
(Diaporthe
amygdali) 		6 / 9 ASP A  92
ASN A 232
SER A 236
GLU A 240
ARG A 325
TYR A 326
 MG  A 404 (-2.3A)
210  A 401 ( 2.5A)
MG  A 405 ( 2.3A)
MG  A 405 (-2.5A)
210  A 401 (-3.1A)
210  A 401 (-4.5A)
 0.52A 5dz2A-5ermA:
23.1		 5dz2A-5ermA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_B_212B404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5erm FUSICOCCADIENE
SYNTHASE
(Diaporthe
amygdali) 		7 / 9 ASP A  92
ARG A 188
ASN A 232
SER A 236
GLU A 240
ARG A 325
TYR A 326
 MG  A 404 (-2.3A)
210  A 401 ( 2.3A)
210  A 401 ( 2.5A)
MG  A 405 ( 2.3A)
MG  A 405 (-2.5A)
210  A 401 (-3.1A)
210  A 401 (-4.5A)
 0.71A 5dz2B-5ermA:
23.0		 5dz2B-5ermA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_B_212B404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5erm FUSICOCCADIENE
SYNTHASE
(Diaporthe
amygdali) 		5 / 9 ASP A  96
ARG A 188
ASN A 232
SER A 236
TYR A 326
 MG  A 403 (-2.4A)
210  A 401 ( 2.3A)
210  A 401 ( 2.5A)
MG  A 405 ( 2.3A)
210  A 401 (-4.5A)
 1.34A 5dz2B-5ermA:
23.0		 5dz2B-5ermA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 7 GLY K   8
ARG K 113
GLY K 109
ALA K  77
 None
G  21069 ( 3.7A)
None
None
 0.87A 5e26A-5jb3K:
undetectable
5e26B-5jb3K:
undetectable		 5e26A-5jb3K:
18.44
5e26B-5jb3K:
18.44
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.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 7 GLY K   8
ARG K 113
GLY K 109
ALA K  77
 None
G  21069 ( 3.7A)
None
None
 0.89A 5e26C-5jb3K:
undetectable
5e26D-5jb3K:
undetectable		 5e26C-5jb3K:
18.44
5e26D-5jb3K:
18.44
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		4 / 8 ALA K  77
GLY K   8
ARG K 113
GLY K 109
 None
None
G  21069 ( 3.7A)
None
 0.91A 5e26C-5jb3K:
undetectable
5e26D-5jb3K:
undetectable		 5e26C-5jb3K:
18.44
5e26D-5jb3K:
18.44
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.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Caldanaerobacter
subterraneus) 		4 / 4 ASP A 161
GLY A  46
ASP A 102
ASP A 105
 MG  A1192 ( 2.6A)
IMP  A1210 (-3.2A)
MG  A1191 (-2.8A)
IMP  A1210 (-4.2A)
 1.14A 5e72A-1yfzA:
undetectable		 5e72A-1yfzA:
21.69
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		3 / 3 ARG A 210
ASN A 287
ASP A 294
 ARG  A 210 ( 0.6A)
ASN  A 287 ( 0.6A)
ASP  A 294 ( 0.6A)
 0.78A 5gwxA-3r6yA:
undetectable		 5gwxA-3r6yA:
20.84
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.
5H1E_A_VDXA501_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.45A 5h1eA-3akcA:
undetectable		 5h1eA-3akcA:
19.64
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 680
VAL A 689
ALA A 700
ILE A 743
LEU A 747
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.4A)
 0.68A 5h2uB-3lj0A:
23.2		 5h2uB-3lj0A:
24.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
VAL A 848
ALA A 866
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.72A 5h2uB-3wzdA:
29.8		 5h2uB-3wzdA:
37.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 LEU A 840
ALA A 866
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.55A 5h2uC-3wzdA:
29.6		 5h2uC-3wzdA:
37.46
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.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 680
VAL A 689
ALA A 700
ILE A 743
LEU A 747
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.4A)
 0.58A 5h2uD-3lj0A:
23.2		 5h2uD-3lj0A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		5 / 12 PHE A 222
LEU A 387
ILE A 210
ARG A 258
LEU A 392
 PHE  A 222 ( 1.3A)
LEU  A 387 ( 0.6A)
ILE  A 210 ( 0.7A)
ARG  A 258 ( 0.6A)
LEU  A 392 ( 0.5A)
 1.17A 5h8tA-4iknA:
undetectable		 5h8tA-4iknA:
20.47
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 689
ALA A 700
ILE A 729
ILE A 743
ASP A 754
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 ( 4.9A)
 0.56A 5hesA-3lj0A:
6.7		 5hesA-3lj0A:
24.55
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
LYS A 702
GLU A 715
LEU A 719
CYH A 748
LEU A 788
HIS A 795
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.2A)
None
None
 0.76A 5hi2A-3lj0A:
23.8		 5hi2A-3lj0A:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1f2e GLUTATHIONE
S-TRANSFERASE
(Sphingomonas
paucimobilis) 		4 / 7 ILE A   5
VAL A 168
ASN A  66
PHE A 109
 None
None
GSH  A 210 (-4.1A)
None
 0.93A 5hieC-1f2eA:
0.0		 5hieC-1f2eA:
22.44
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 3o8s ADP-RIBOSE
PYROPHOSPHATASE
(Streptococcus
suis) 		3 / 3 VAL A 147
GLU A 116
GLU A 112
 None
EDO  A 210 (-3.7A)
None
 0.85A 5jsdB-3o8sA:
undetectable
5jsdC-3o8sA:
undetectable		 5jsdB-3o8sA:
14.06
5jsdC-3o8sA:
14.06
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.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4ew9 PECTATE LYASE
(Caldicellulosiru
ptor
bescii) 		3 / 3 ASP A 162
ASN A 113
GLN A 111
 None
DGU  A 210 (-3.4A)
UNG  A 209 ( 3.4A)
 0.69A 5k7uA-4ew9A:
undetectable		 5k7uA-4ew9A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4p7y METHIONINE
GAMMA-LYASE
(Citrobacter
freundii) 		5 / 12 ILE A 203
ILE A 223
VAL A 183
GLU A 156
ILE A  92
 None
None
None
LLP  A 210 ( 3.7A)
None
 1.12A 5lg3J-4p7yA:
undetectable		 5lg3J-4p7yA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 11 LEU A 680
GLY A 681
VAL A 689
ALA A 700
LEU A 745
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
 0.52A 5lvnA-3lj0A:
25.9		 5lvnA-3lj0A:
24.62
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 681
VAL A 689
ALA A 700
ILE A 729
ASN A 751
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
ADP  A2101 (-3.7A)
 0.41A 5lw1B-3lj0A:
21.3		 5lw1B-3lj0A:
11.55
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 681
VAL A 689
ALA A 700
ILE A 729
LEU A 747
ASN A 751
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-3.7A)
 0.59A 5lw1E-3lj0A:
21.0		 5lw1E-3lj0A:
11.55
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 681
VAL A 689
ALA A 700
LEU A 747
ASN A 751
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
ADP  A2101 (-3.7A)
 0.61A 5lw1H-3lj0A:
21.3		 5lw1H-3lj0A:
11.55
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 5 LEU A 719
CYH A 748
LEU A 804
ASP A 828
 None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.90A 5mafA-3lj0A:
25.7		 5mafA-3lj0A:
11.06
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 5 LEU A 889
CYH A 919
LEU A1035
ASP A1046
 LEV  A1201 ( 4.4A)
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.43A 5mafA-3wzdA:
23.1		 5mafA-3wzdA:
14.52
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 LEU A 680
VAL A 689
LYS A 702
GLU A 715
ILE A 743
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-2.7A)
None
None
 0.62A 5mo4A-3lj0A:
18.3		 5mo4A-3lj0A:
22.64
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.
5MQT_A_STIA302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		6 / 12 ILE A  29
PRO A  73
GLN A  81
ARG A 105
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.96A 5mqtA-2jcsA:
23.5		 5mqtA-2jcsA:
29.69
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.
5MQT_C_STIC302_1
(DEOXYCYTIDINE KINASE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		6 / 12 ILE A  29
PRO A  73
GLN A  81
ARG A 105
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.6A)
None
 0.79A 5mqtC-2jcsA:
24.2		 5mqtC-2jcsA:
29.69
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.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED
(Xanthomonas
oryzae) 		4 / 4 SER B  87
ALA B  90
GLN B 239
THR B  94
 LLP  B 210 ( 3.7A)
None
None
None
 1.46A 5n0wA-4iyoB:
1.4		 5n0wA-4iyoB:
23.11
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.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 4 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.17A 5n5jA-3ediA:
10.0		 5n5jA-3ediA:
24.14
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		4 / 5 HIS A  92
GLU A  93
HIS A  96
HIS A 102
 ZN  A 210 (-3.2A)
ZN  A 210 ( 4.3A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.14A 5n5kA-3ediA:
9.9		 5n5kA-3ediA:
23.12
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 8 ALA A 700
GLU A 715
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.58A 5owrA-3lj0A:
20.8		 5owrA-3lj0A:
24.83
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 8 ALA A 866
GLU A 885
CYH A 919
LEU A1035
ASP A1046
 LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.90A 5owrA-3wzdA:
20.9		 5owrA-3wzdA:
26.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
LYS A 702
ILE A 743
LEU A 804
SER A 827
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.4A)
ADP  A2101 ( 4.4A)
 0.78A 5p9iA-3lj0A:
23.1		 5p9iA-3lj0A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		 3h09 IMMUNOGLOBULIN A1
PROTEASE
(Haemophilus
influenzae) 		4 / 6 PRO A 353
VAL A 369
VAL A 389
ILE A 403
 MLA  A2100 (-3.9A)
None
None
None
 0.84A 5pbeA-3h09A:
undetectable		 5pbeA-3h09A:
8.47
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.
5QGQ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2hdo PHOSPHOGLYCOLATE
PHOSPHATASE
(Lactobacillus
plantarum) 		4 / 4 VAL A  24
VAL A  73
TYR A  70
GLN A  69
 None
PO4  A 210 ( 4.3A)
None
None
 1.49A 5qgqA-2hdoA:
undetectable		 5qgqA-2hdoA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 5 LEU A 840
VAL A 848
CYH A 919
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-4.1A)
GOL  A1210 ( 3.3A)
 0.38A 5te0A-3wzdA:
22.5		 5te0A-3wzdA:
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens) 		4 / 8 SER A 186
ILE A  97
ALA A  98
LEU A 101
 None
OLA  A1210 (-4.2A)
None
OLA  A1209 ( 4.8A)
 0.83A 5te8B-6bqhA:
1.5		 5te8B-6bqhA:
11.86
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1ktc ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Gallus
gallus) 		3 / 3 GLU A 309
HIS A 307
ARG A 328
 None
SO4  A2104 (-3.8A)
None
 0.73A 5uunA-1ktcA:
0.0		 5uunA-1ktcA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		3 / 3 LEU A 242
ILE A 200
TYR A 210
 LEU  A 242 ( 0.6A)
ILE  A 200 ( 0.7A)
TYR  A 210 ( 1.3A)
 0.63A 5uunB-5d7aA:
undetectable		 5uunB-5d7aA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 2vt2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Bacillus
subtilis) 		5 / 12 ILE A 161
ILE A  91
ASP A 118
ILE A 119
ASN A 120
 None
None
NAD  A1210 (-2.8A)
NAD  A1210 (-4.0A)
None
 0.93A 5uvmB-2vt2A:
undetectable		 5uvmB-2vt2A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 4p7y METHIONINE
GAMMA-LYASE
(Citrobacter
freundii) 		5 / 12 ILE A  89
LEU A  96
GLU A 156
TYR A 154
PHE A 133
 LLP  A 210 ( 4.3A)
None
LLP  A 210 ( 3.7A)
None
None
 1.13A 5uxdB-4p7yA:
undetectable		 5uxdB-4p7yA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 2f7n DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY
(Deinococcus
radiodurans) 		4 / 8 ALA A  38
VAL A  48
THR A  42
GLY A 121
 CO  A 210 ( 4.3A)
None
None
None
 0.98A 5v0vA-2f7nA:
2.9		 5v0vA-2f7nA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC3_A_DB8A601_2
(WEE1-LIKE PROTEIN
KINASE)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 4 VAL A 848
LYS A 868
VAL A 899
ASN A1033
 LEV  A1201 ( 4.9A)
None
None
GOL  A1210 (-3.6A)
 0.81A 5vc3A-3wzdA:
22.6		 5vc3A-3wzdA:
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 5xxu RIBOSOMAL PROTEIN
US5
(Toxoplasma
gondii) 		4 / 6 ARG C 176
PHE C 218
ILE C 195
THR C 191
 U  21093 ( 3.3A)
None
None
U  2   5 ( 4.8A)
 1.14A 5vceA-5xxuC:
undetectable		 5vceA-5xxuC:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  14
ASP A   8
VAL A 132
LEU A 114
ARG A 153
 ADP  A 210 (-3.1A)
None
None
None
CDP  A 209 ( 3.0A)
 1.14A 5vooA-3akcA:
undetectable		 5vooA-3akcA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  14
ASP A   8
VAL A 132
LEU A 114
ARG A 153
 ADP  A 210 (-3.1A)
None
None
None
CDP  A 209 ( 3.0A)
 1.13A 5vooC-3akcA:
undetectable		 5vooC-3akcA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.68A 5x1fN-3ediA:
undetectable		 5x1fN-3ediA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
VAL A 689
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
 0.78A 5y7zA-3lj0A:
24.4		 5y7zA-3lj0A:
12.29
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
VAL A 689
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
 0.78A 5y7zA-3lj0A:
24.4		 5y7zA-3lj0A:
23.97
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.86A 5y7zB-3lj0A:
17.2		 5y7zB-3lj0A:
12.29
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
ALA A 866
LYS A 868
GLU A 885
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 LEV  A1201 ( 3.8A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.3A)
 0.78A 5y7zB-3wzdA:
21.9		 5y7zB-3wzdA:
13.42
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.78A 5y80A-3lj0A:
24.1		 5y80A-3lj0A:
12.29
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
CYH A 919
GLY A 922
LEU A1035
ASP A1046
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
LEV  A1201 (-3.7A)
LEV  A1201 (-4.1A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.74A 5y80A-3wzdA:
21.3		 5y80A-3wzdA:
13.42
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.
5YCN_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4m6w FANCONI ANEMIA GROUP
M PROTEIN
(Homo
sapiens) 		5 / 12 GLY A1823
LEU A1945
VAL A1833
ILE A1834
LEU A1887
 SO4  A2101 (-3.5A)
None
None
None
None
 0.94A 5ycnA-4m6wA:
undetectable		 5ycnA-4m6wA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLY A 922
LEU A1035
ASP A1046
LEU A1049
 LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
LEV  A1201 ( 4.5A)
 0.76A 5yu9D-3wzdA:
28.9		 5yu9D-3wzdA:
14.29
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		3 / 3 LYS A 868
LEU A1035
ASP A1046
 None
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.42A 5zv2A-3wzdA:
30.1		 5zv2A-3wzdA:
16.72
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 2i82 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE A
(Escherichia
coli) 		4 / 5 GLN A 136
THR A 137
HIS A 162
LEU A 115
 None
None
G  E1210 ( 3.8A)
None
 1.43A 6aphA-2i82A:
undetectable		 6aphA-2i82A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A 101
ARG A  67
TYR A 114
PRO A 115
TYR A 113
 None
GSH  A 210 (-3.6A)
None
None
None
 1.42A 6bm5A-3einA:
undetectable		 6bm5A-3einA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CE2_B_SVRB202_2
(-)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 GLY A  28
GLY A  30
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.3A)
CA  A 210 (-4.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
 0.98A 6ce2B-5wzmA:
18.5		 6ce2B-5wzmA:
29.75
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.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)		 5jb3 30S RIBOSOMAL
PROTEIN S9
(Pyrococcus
abyssi) 		3 / 3 ARG K 113
ARG K 112
ASP K 110
 G  21069 ( 3.7A)
G  21307 ( 3.1A)
G  21307 ( 2.7A)
 0.97A 6d8pA-5jb3K:
undetectable		 6d8pA-5jb3K:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
 0.87A 6ebpB-5hiuA:
undetectable		 6ebpB-5hiuA:
9.50
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.
6EBP_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
 0.89A 6ebpC-5hiuA:
undetectable		 6ebpC-5hiuA:
9.50
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.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.97A 6ebpD-5hiuA:
undetectable		 6ebpD-5hiuA:
9.50
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.98A 6ebzA-5hiuA:
undetectable		 6ebzA-5hiuA:
9.50
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.
6EBZ_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 1.01A 6ebzB-5hiuA:
undetectable		 6ebzB-5hiuA:
9.50
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.
6EBZ_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 1.04A 6ebzC-5hiuA:
undetectable		 6ebzC-5hiuA:
9.50
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.
6EBZ_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.99A 6ebzD-5hiuA:
undetectable		 6ebzD-5hiuA:
9.50
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 6 GLY A 170
THR A  80
ILE A  82
PHE A  48
 None
ACY  A 307 (-3.5A)
ACY  A 307 ( 3.9A)
GUN  A 210 (-4.5A)
 0.83A 6f8cA-1xe7A:
undetectable		 6f8cA-1xe7A:
15.62
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.95A 6gp2A-5hiuA:
undetectable		 6gp2A-5hiuA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.86A 6gp2B-5hiuA:
undetectable		 6gp2B-5hiuA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		3 / 3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 210 (-3.2A)
ZN  A 210 (-3.3A)
ZN  A 210 (-3.2A)
 0.77A 6hu9m-3ediA:
undetectable		 6hu9m-3ediA:
16.37
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		3 / 3 ARG A 210
LEU A 262
PHE A 263
 ARG  A 210 ( 0.6A)
LEU  A 262 (-0.5A)
PHE  A 263 (-1.3A)
 0.61A 6nknP-4hneA:
undetectable		 6nknP-4hneA:
18.09
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5xyi PLECTIN/S10 DOMAIN
CONTAINING PROTEIN
(Trichomonas
vaginalis) 		3 / 3 ARG K   8
LEU K  12
PHE K  16
 U  21065 ( 4.1A)
None
None
 0.59A 6nknP-5xyiK:
undetectable		 6nknP-5xyiK:
18.77
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		3 / 3 ASP A 196
LEU A 195
ARG A 155
 None
ADP  A 210 (-4.2A)
ADP  A 210 (-4.2A)
 0.82A 7dfrA-3akcA:
undetectable		 7dfrA-3akcA:
23.94