SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3lj0'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 LEU A 718
GLU A 721
LEU A 791
HIS A 725
GLY A 784
 None
 1.18A 1cmaA-3lj0A:
undetectable
1cmaB-3lj0A:
undetectable		 1cmaA-3lj0A:
13.92
1cmaB-3lj0A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 PRO A 774
LEU A 778
VAL A 909
GLY A 907
LEU A 979
 None
 1.29A 1fkpA-3lj0A:
undetectable		 1fkpA-3lj0A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 PRO A 774
LEU A 778
VAL A 909
GLY A 907
LEU A 979
 None
 1.28A 1lwcA-3lj0A:
undetectable		 1lwcA-3lj0A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJL_B_SAMB400_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 LEU A 718
GLU A 721
LEU A 791
HIS A 725
GLY A 784
 None
 1.12A 1mjlA-3lj0A:
undetectable
1mjlB-3lj0A:
undetectable		 1mjlA-3lj0A:
13.23
1mjlB-3lj0A:
13.23
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 HIS A 725
GLY A 784
LEU A 718
GLU A 721
LEU A 791
 None
 1.28A 1mjqA-3lj0A:
undetectable
1mjqB-3lj0A:
undetectable		 1mjqA-3lj0A:
13.23
1mjqB-3lj0A:
13.23
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 HIS A 725
GLY A 784
LEU A 718
GLU A 721
LEU A 791
 None
 1.27A 1mjqG-3lj0A:
undetectable
1mjqH-3lj0A:
undetectable		 1mjqG-3lj0A:
13.23
1mjqH-3lj0A:
13.23
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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 MET A1073
PHE A1080
ALA A1054
LEU A1055
 None
 0.94A 2o01A-3lj0A:
undetectable		 2o01A-3lj0A:
21.00
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.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 752
VAL A 805
ILE A 824
ILE A 913
 None
 0.88A 2piwA-3lj0A:
undetectable		 2piwA-3lj0A:
22.83
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.
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.
2XKW_A_P1BA1478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 944
ILE A 775
GLN A 780
ALA A 786
 None
 0.81A 2xkwA-3lj0A:
undetectable		 2xkwA-3lj0A:
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.
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.
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 GLU A 820
SER A 776
GLN A 780
HIS A 725
 None
 1.09A 3b9lA-3lj0A:
undetectable		 3b9lA-3lj0A:
21.67
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 6 VAL A 728
LEU A 747
ILE A 793
ILE A 826
 None
 0.75A 3gcsA-3lj0A:
19.2		 3gcsA-3lj0A:
27.77
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HAV_A_SRYA403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 962
SER A 958
ASP A 964
ASP A 955
 None
 0.87A 3havA-3lj0A:
1.9		 3havA-3lj0A:
22.77
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 6 VAL A 728
ILE A 793
HIS A 795
ILE A 826
 None
 0.24A 3hegA-3lj0A:
19.8		 3hegA-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.
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.
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.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 LEU A 975
ARG A 823
LEU A 822
GLU A 820
GLY A 784
 None
 1.47A 3nxuB-3lj0A:
undetectable		 3nxuB-3lj0A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 675
PHE A 690
GLY A 692
VAL A 699
ARG A 703
 None
 1.25A 4bvaB-3lj0A:
undetectable		 4bvaB-3lj0A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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
Potential target for repurposing, i.e. matched protein structure has less than 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
Potential target for repurposing, i.e. matched protein structure has less than 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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 LEU A 778
LEU A 822
LEU A 755
LEU A 752
LEU A 914
 None
 0.96A 4odoA-3lj0A:
undetectable		 4odoA-3lj0A:
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.
4ODO_B_FK5B203_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 LEU A 778
LEU A 822
LEU A 755
LEU A 752
LEU A 914
 None
 1.00A 4odoB-3lj0A:
undetectable		 4odoB-3lj0A:
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.
4ODO_C_FK5C204_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 LEU A 778
LEU A 822
LEU A 755
LEU A 752
LEU A 914
 None
 0.98A 4odoC-3lj0A:
undetectable		 4odoC-3lj0A:
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.
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_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
Potential target for repurposing, i.e. matched protein structure has less than 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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ILE A1069
ALA A1070
MET A1073
GLY A1074
PHE A1080
 None
 0.91A 4r29D-3lj0A:
undetectable		 4r29D-3lj0A:
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.
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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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.
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.
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 10 PRO A 920
LEU A 914
ILE A 775
PHE A 910
PHE A 980
 None
 1.37A 5m0oA-3lj0A:
undetectable		 5m0oA-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.
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.
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.
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.
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.
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.
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.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 9 ASN A 727
ILE A 903
SER A 783
SER A 905
GLY A 907
 None
 1.43A 6awpA-3lj0A:
undetectable		 6awpA-3lj0A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 5 ILE A 957
SER A 958
ALA A 951
LEU A 944
 None
 1.01A 6dwnA-3lj0A:
undetectable		 6dwnA-3lj0A:
11.03