SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4CV'


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.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.72A 1iepA-4yffA:
19.6		 1iepA-4yffA:
28.88
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 ( 3.9A)
 0.70A 1iepB-4yffA:
24.7		 1iepB-4yffA:
28.88
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.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 1opjA-4yffA:
18.8		 1opjA-4yffA:
28.88
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 ( 3.9A)
 0.73A 1opjB-4yffA:
18.9		 1opjB-4yffA:
28.88
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.75A 1t46A-4yffA:
25.5		 1t46A-4yffA:
28.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
GLU A 509
LEU A 513
THR A 539
LEU A 577
HIS A 586
 4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
None
None
 0.64A 1uwhA-4yffA:
26.9		 1uwhA-4yffA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
LEU A 577
HIS A 586
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
None
None
 0.64A 1uwhB-4yffA:
17.2		 1uwhB-4yffA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 577
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
None
 0.37A 1uwjA-4yffA:
26.2		 1uwjA-4yffA:
31.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 7 ILE A 469
LYS A 490
LEU A 513
ILE A 584
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.9A)
None
None
 0.75A 1uwjA-4yffA:
26.2		 1uwjA-4yffA:
31.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ILE A 469
ALA A 488
GLU A 509
THR A 539
LEU A 577
HIS A 586
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
None
None
 0.80A 1uwjB-4yffA:
26.2		 1uwjB-4yffA:
31.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ILE A 469
VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 577
 4CV  A 801 (-4.3A)
None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
None
 0.71A 1uwjB-4yffA:
26.2		 1uwjB-4yffA:
31.17
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
THR A 539
GLY A 545
LEU A 595
ASP A 606
PHE A 607
 4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
None
 1.00A 1xkkA-4yffA:
25.4		 1xkkA-4yffA:
26.36
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
VAL A 477
LYS A 490
ASN A 593
LEU A 595
ALA A 605
ASP A 606
 4CV  A 801 (-4.3A)
None
4CV  A 801 (-3.9A)
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.61A 2eufB-4yffA:
23.5		 2eufB-4yffA:
27.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 GLY A 470
VAL A 477
ALA A 488
TYR A 541
SER A 546
LEU A 595
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-4.4A)
 0.58A 2evaA-4yffA:
27.3		 2evaA-4yffA:
32.08
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ALA A 488
LYS A 490
ILE A 537
THR A 539
GLY A 545
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.82A 2gqgA-4yffA:
26.8		 2gqgA-4yffA:
29.28
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.58A 2gqgB-4yffA:
27.2		 2gqgB-4yffA:
29.28
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.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.67A 2hyyA-4yffA:
19.7		 2hyyA-4yffA:
29.30
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.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.68A 2hyyB-4yffA:
25.4		 2hyyB-4yffA:
29.30
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.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.65A 2hyyC-4yffA:
25.5		 2hyyC-4yffA:
29.30
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 537
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 2hyyD-4yffA:
19.7		 2hyyD-4yffA:
29.30
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.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		10 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
TYR A 541
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.74A 2oiqA-4yffA:
20.1		 2oiqA-4yffA:
27.55
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.92A 2pl0A-4yffA:
24.6		 2pl0A-4yffA:
28.75
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.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
ILE A 537
THR A 539
TYR A 541
GLY A 545
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.68A 2y6oA-4yffA:
26.4		 2y6oA-4yffA:
28.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
TYR A 541
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
 0.60A 2y6oA-4yffA:
26.4		 2y6oA-4yffA:
28.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
LYS A 490
ILE A 537
THR A 539
TYR A 541
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.56A 2y6oA-4yffA:
26.4		 2y6oA-4yffA:
28.99
Potential target for repurposing, i.e. matched protein structure has less than 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_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ILE A 469
VAL A 477
ALA A 488
ILE A 522
GLY A 545
LEU A 595
 4CV  A 801 (-4.3A)
None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.62A 2y7jA-4yffA:
24.1		 2y7jA-4yffA:
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.20A 2zj0A-4yffA:
undetectable		 2zj0A-4yffA:
19.88
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
THR A 539
GLY A 545
LEU A 595
ASP A 606
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
None
 1.10A 3bbtB-4yffA:
24.9		 3bbtB-4yffA:
27.67
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.24A 3ce6A-4yffA:
undetectable		 3ce6A-4yffA:
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.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.22A 3ce6C-4yffA:
undetectable		 3ce6C-4yffA:
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.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
GLU A 509
THR A 539
HIS A 586
ALA A 605
 4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
None
4CV  A 801 ( 3.9A)
 0.89A 3cs9C-4yffA:
20.2		 3cs9C-4yffA:
29.06
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
TYR A 541
SER A 546
LEU A 595
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.79A 3fupA-4yffA:
17.3		 3fupA-4yffA:
26.05
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 VAL A 477
ALA A 488
THR A 539
TYR A 541
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.55A 3g0eA-4yffA:
23.5		 3g0eA-4yffA:
28.07
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.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 VAL A 477
ALA A 488
THR A 539
TYR A 541
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.52A 3g0fA-4yffA:
11.7		 3g0fA-4yffA:
28.07
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.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 10 VAL A 477
ALA A 488
THR A 539
TYR A 541
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.56A 3g0fB-4yffA:
24.8		 3g0fB-4yffA:
28.07
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
ILE A 537
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.63A 3g5dA-4yffA:
21.6		 3g5dA-4yffA:
27.24
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
LEU A 513
ILE A 522
THR A 539
HIS A 586
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
None
 0.64A 3gp0A-4yffA:
20.6		 3gp0A-4yffA:
26.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.66A 3gvuA-4yffA:
20.4		 3gvuA-4yffA:
28.31
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
 0.49A 3hecA-4yffA:
19.7		 3hecA-4yffA:
22.87
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
 0.92A 3hegA-4yffA:
12.5		 3hegA-4yffA:
22.87
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
LEU A 513
ILE A 522
THR A 539
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
 0.78A 3hegA-4yffA:
12.5		 3hegA-4yffA:
22.87
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.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 3k5vA-4yffA:
24.6		 3k5vA-4yffA:
28.88
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.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.69A 3k5vB-4yffA:
19.0		 3k5vB-4yffA:
28.88
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 8 ALA A 488
LYS A 490
GLU A 509
THR A 539
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
 0.43A 3lfaA-4yffA:
19.1		 3lfaA-4yffA:
22.42
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
TYR A 541
LEU A 595
ALA A 605
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.88A 3lxkA-4yffA:
25.7		 3lxkA-4yffA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 GLY A 470
VAL A 477
ALA A 488
ILE A 522
TYR A 541
SER A 546
LEU A 595
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.61A 3lxnA-4yffA:
26.2		 3lxnA-4yffA:
26.15
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
ILE A 522
TYR A 541
LEU A 595
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.59A 3lxnA-4yffA:
26.2		 3lxnA-4yffA:
26.15
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.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.70A 3ms9A-4yffA:
24.7		 3ms9A-4yffA:
28.88
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.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.69A 3ms9B-4yffA:
24.8		 3ms9B-4yffA:
28.88
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.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 3mssA-4yffA:
24.9		 3mssA-4yffA:
28.88
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.67A 3mssB-4yffA:
19.8		 3mssB-4yffA:
28.88
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.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.70A 3mssC-4yffA:
24.8		 3mssC-4yffA:
28.88
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.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.68A 3mssD-4yffA:
19.8		 3mssD-4yffA:
28.88
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.66A 3oezA-4yffA:
26.0		 3oezA-4yffA:
27.24
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
THR A 539
TYR A 541
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.66A 3oezA-4yffA:
26.0		 3oezA-4yffA:
27.24
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 537
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.74A 3oezB-4yffA:
20.3		 3oezB-4yffA:
27.24
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.70A 3oezB-4yffA:
20.3		 3oezB-4yffA:
27.24
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.
3OHT_A_1N1A1000_1
(P38A)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
LEU A 513
ILE A 522
THR A 539
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
 0.64A 3ohtA-4yffA:
5.9		 3ohtA-4yffA:
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.
3OHT_B_1N1B1000_1
(P38A)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
LEU A 513
ILE A 522
THR A 539
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
 0.63A 3ohtB-4yffA:
5.9		 3ohtB-4yffA:
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.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
GLU A 509
THR A 539
GLY A 545
HIS A 586
ALA A 605
 4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
None
4CV  A 801 ( 3.9A)
 0.91A 3oxzA-4yffA:
20.2		 3oxzA-4yffA:
28.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 3pyyA-4yffA:
20.3		 3pyyA-4yffA:
28.89
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.67A 3pyyB-4yffA:
25.5		 3pyyB-4yffA:
28.89
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 VAL A 477
ALA A 488
GLU A 509
LEU A 513
ILE A 522
TYR A 541
LEU A 577
HIS A 586
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 ( 3.9A)
 0.87A 3rgfA-4yffA:
14.5		 3rgfA-4yffA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
ILE A 537
THR A 539
TYR A 541
LEU A 595
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.39A 3sxrA-4yffA:
26.0		 3sxrA-4yffA:
27.44
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
THR A 539
TYR A 541
ILE A 542
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.61A 3sxrB-4yffA:
25.7		 3sxrB-4yffA:
27.44
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 537
THR A 539
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.80A 3ue4B-4yffA:
27.1		 3ue4B-4yffA:
28.35
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 8 VAL A 477
LYS A 490
ILE A 522
ASP A 606
 None
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.5A)
 0.61A 3warA-4yffA:
22.5		 3warA-4yffA:
21.28
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
LEU A 513
LEU A 577
HIS A 586
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
None
None
 0.67A 3wzeA-4yffA:
18.7		 3wzeA-4yffA:
29.61
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ALA A 488
LYS A 490
GLU A 509
THR A 539
LEU A 577
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.69A 3zosA-4yffA:
23.9		 3zosA-4yffA:
29.55
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ALA A 488
LYS A 490
GLU A 509
ILE A 522
LEU A 577
HIS A 586
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
None
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.77A 3zosB-4yffA:
24.3		 3zosB-4yffA:
29.55
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ALA A 488
LYS A 490
GLU A 509
ILE A 522
THR A 539
LEU A 577
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.67A 3zosB-4yffA:
24.3		 3zosB-4yffA:
29.55
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
LEU A 513
GLY A 545
LEU A 577
HIS A 586
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 ( 4.0A)
None
None
 0.76A 4asdA-4yffA:
25.0		 4asdA-4yffA:
29.01
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.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 512
ILE A 522
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.82A 4bkjA-4yffA:
24.3		 4bkjA-4yffA:
29.55
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 512
ILE A 522
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.78A 4bkjB-4yffA:
24.4		 4bkjB-4yffA:
29.55
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 ALA A 488
LYS A 490
GLU A 509
LEU A 513
ILE A 537
THR A 539
HIS A 586
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
None
4CV  A 801 (-2.8A)
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.91A 4c8bA-4yffA:
25.9		 4c8bA-4yffA:
29.53
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
HIS A 586
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
None
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.93A 4c8bB-4yffA:
25.2		 4c8bB-4yffA:
29.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
GLU A 509
ILE A 512
THR A 539
TYR A 541
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.60A 4csvA-4yffA:
20.4		 4csvA-4yffA:
33.02
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.34A 4lvcA-4yffA:
undetectable		 4lvcA-4yffA:
20.64
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.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.33A 4lvcC-4yffA:
undetectable		 4lvcC-4yffA:
20.64
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 8 ILE A 469
VAL A 477
ALA A 488
ASN A 593
LEU A 595
ASP A 606
 4CV  A 801 (-4.3A)
None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.44A 4ogrA-4yffA:
23.3		 4ogrA-4yffA:
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 7 GLY A 470
ALA A 488
ASN A 593
LEU A 595
ASP A 606
 4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
None
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.66A 4ogrE-4yffA:
14.1		 4ogrE-4yffA:
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 9 ILE A 469
VAL A 477
ALA A 488
ASN A 593
LEU A 595
ASP A 606
 4CV  A 801 (-4.3A)
None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.47A 4ogrI-4yffA:
23.1		 4ogrI-4yffA:
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 GLY A 470
GLY A 475
VAL A 477
ALA A 488
LYS A 490
LEU A 595
ALA A 605
ASP A 606
 4CV  A 801 ( 3.9A)
None
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.81A 4otiA-4yffA:
20.6		 4otiA-4yffA:
25.07
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
LYS A 490
THR A 539
TYR A 541
LEU A 595
ALA A 605
ASP A 606
 None
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.96A 4otwA-4yffA:
24.7		 4otwA-4yffA:
28.85
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
THR A 539
TYR A 541
GLY A 545
LEU A 595
ALA A 605
ASP A 606
 None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.68A 4otwA-4yffA:
24.7		 4otwA-4yffA:
28.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ILE A 469
ALA A 488
LYS A 490
GLU A 509
ILE A 537
TYR A 541
LEU A 595
ALA A 605
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.93A 4qmnA-4yffA:
25.8		 4qmnA-4yffA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 ALA A 488
GLU A 509
ILE A 537
TYR A 541
LEU A 595
ASP A 606
 4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
4CV  A 801 (-3.5A)
 0.69A 4qmsA-4yffA:
18.8		 4qmsA-4yffA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 ILE A 469
ALA A 488
GLU A 509
ILE A 537
TYR A 541
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.75A 4qmsA-4yffA:
18.8		 4qmsA-4yffA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 11 ILE A 469
ALA A 488
LYS A 490
ILE A 537
TYR A 541
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.66A 4qmsA-4yffA:
18.8		 4qmsA-4yffA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ILE A 469
GLY A 470
VAL A 477
ALA A 488
TYR A 541
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.66A 4qmzA-4yffA:
19.0		 4qmzA-4yffA:
30.36
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
THR A 539
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
 0.64A 4r7iA-4yffA:
25.0		 4r7iA-4yffA:
27.50
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 10 ILE A 469
ALA A 488
LYS A 490
ILE A 522
THR A 539
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
 0.61A 4rz7A-4yffA:
13.6		 4rz7A-4yffA:
17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
LYS A 490
ILE A 537
THR A 539
SER A 546
GLY A 608
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
None
None
 1.11A 4rzvA-4yffA:
25.7		 4rzvA-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
LYS A 490
THR A 539
SER A 546
PHE A 607
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
None
None
 0.91A 4rzvA-4yffA:
25.7		 4rzvA-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
THR A 539
SER A 546
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
None
None
 0.91A 4rzvB-4yffA:
24.9		 4rzvB-4yffA:
31.79
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ALA A 488
LYS A 490
LEU A 513
THR A 539
GLY A 545
HIS A 586
LEU A 595
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
None
4CV  A 801 (-4.4A)
 0.81A 4u0iA-4yffA:
25.3		 4u0iA-4yffA:
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
GLU A 509
LEU A 577
HIS A 586
ALA A 605
 4CV  A 801 (-3.5A)
None
None
None
4CV  A 801 ( 3.9A)
 0.86A 4v01A-4yffA:
24.6		 4v01A-4yffA:
28.94
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_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
GLU A 509
LEU A 577
HIS A 586
ALA A 605
 4CV  A 801 (-3.5A)
None
None
None
4CV  A 801 ( 3.9A)
 0.82A 4v01B-4yffA:
25.2		 4v01B-4yffA:
28.94
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.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
LEU A 577
HIS A 586
ALA A 605
 None
4CV  A 801 (-3.5A)
None
None
None
4CV  A 801 ( 3.9A)
 0.94A 4v04A-4yffA:
24.6		 4v04A-4yffA:
28.94
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.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 8 LYS A 490
ILE A 522
TYR A 541
LEU A 595
 4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.9A)
4CV  A 801 (-4.4A)
 0.69A 4v04A-4yffA:
24.5		 4v04A-4yffA:
28.94
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.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 ALA A 488
GLU A 509
LEU A 577
HIS A 586
ALA A 605
 4CV  A 801 (-3.5A)
None
None
None
4CV  A 801 ( 3.9A)
 0.82A 4v04B-4yffA:
25.2		 4v04B-4yffA:
28.94
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.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
LYS A 490
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.72A 4wa9B-4yffA:
26.3		 4wa9B-4yffA:
28.66
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
ILE A 537
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.81A 4xeyA-4yffA:
27.3		 4xeyA-4yffA:
26.90
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ALA A 488
LYS A 490
ILE A 537
THR A 539
TYR A 541
GLY A 545
LEU A 595
ALA A 605
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.65A 4xliB-4yffA:
27.6		 4xliB-4yffA:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
THR A 539
ASP A 606
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.5A)
None
 0.97A 4xv2A-4yffA:
26.7		 4xv2A-4yffA:
32.10
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		10 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 522
THR A 539
TYR A 541
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.87A 5bvwA-4yffA:
23.6		 5bvwA-4yffA:
29.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
LYS A 490
LEU A 513
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
 0.85A 5cswA-4yffA:
26.4		 5cswA-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
LYS A 490
THR A 539
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
None
 0.81A 5cswA-4yffA:
26.4		 5cswA-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
LEU A 513
THR A 539
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
None
 0.88A 5cswB-4yffA:
26.7		 5cswB-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
ILE A 522
ILE A 537
THR A 539
TYR A 541
GLY A 608
 4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.80A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
ILE A 522
THR A 539
TYR A 541
PHE A 607
GLY A 608
 4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
None
 1.04A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
ILE A 522
ILE A 537
THR A 539
TYR A 541
 None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
 0.48A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
ILE A 522
THR A 539
TYR A 541
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.84A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 6 LYS A 490
PHE A 524
SER A 546
ASP A 606
 4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-3.5A)
 0.81A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
TYR A 541
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.83A 5hesB-4yffA:
25.4		 5hesB-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
GLU A 509
LEU A 513
THR A 539
LEU A 577
HIS A 586
 4CV  A 801 (-3.5A)
None
None
4CV  A 801 (-2.8A)
None
None
 0.72A 5hi2A-4yffA:
26.7		 5hi2A-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
LEU A 577
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
None
 0.49A 5hi2A-4yffA:
26.7		 5hi2A-4yffA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
 0.64A 5hieA-4yffA:
25.5		 5hieA-4yffA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 7 ILE A 469
GLY A 470
ASP A 606
PHE A 607
 4CV  A 801 (-4.3A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
None
 0.87A 5hieA-4yffA:
25.5		 5hieA-4yffA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
 0.65A 5hieB-4yffA:
25.5		 5hieB-4yffA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 GLY A 470
VAL A 477
ALA A 488
LYS A 490
THR A 539
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.5A)
 0.98A 5hieC-4yffA:
25.7		 5hieC-4yffA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 12 VAL A 477
ALA A 488
LYS A 490
ILE A 537
THR A 539
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
 0.64A 5hieD-4yffA:
25.5		 5hieD-4yffA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ILE A 469
ALA A 488
GLU A 509
ILE A 522
ILE A 537
THR A 539
TYR A 541
GLU A 553
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
None
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.99A 5i9xA-4yffA:
26.1		 5i9xA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 ILE A 469
ALA A 488
ILE A 522
ILE A 537
THR A 539
TYR A 541
GLY A 545
GLU A 553
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
None
4CV  A 801 (-4.4A)
 1.39A 5i9xA-4yffA:
26.1		 5i9xA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
TYR A 541
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
 0.98A 5i9xA-4yffA:
26.1		 5i9xA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 ILE A 469
ALA A 488
LYS A 490
ILE A 537
THR A 539
TYR A 541
GLY A 545
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.71A 5i9xA-4yffA:
26.1		 5i9xA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
LYS A 490
GLU A 509
THR A 539
TYR A 541
GLU A 553
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.98A 5i9yA-4yffA:
19.7		 5i9yA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
LYS A 490
THR A 539
TYR A 541
GLU A 553
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-4.4A)
 1.09A 5i9yA-4yffA:
19.7		 5i9yA-4yffA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
ALA A 488
THR A 539
TYR A 541
GLY A 545
GLU A 553
LEU A 595
 4CV  A 801 (-4.3A)
4CV  A 801 (-3.5A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
None
4CV  A 801 (-4.4A)
 1.34A 5i9yA-4yffA:
19.7		 5i9yA-4yffA:
30.21
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		3 / 3 GLY A 544
GLY A 545
GLN A 554
 None
4CV  A 801 ( 4.0A)
None
 0.48A 5imsA-4yffA:
undetectable		 5imsA-4yffA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 7 GLY A 470
GLY A 472
GLY A 475
VAL A 477
 4CV  A 801 ( 3.9A)
None
None
None
 0.36A 5izjB-4yffA:
15.3		 5izjB-4yffA:
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 7 GLY A 470
GLY A 472
VAL A 477
LYS A 490
 4CV  A 801 ( 3.9A)
None
None
4CV  A 801 (-3.9A)
 0.36A 5izjA-4yffA:
22.0		 5izjA-4yffA:
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 7 GLY A 470
GLY A 472
VAL A 477
LYS A 490
ASP A 606
 4CV  A 801 ( 3.9A)
None
None
4CV  A 801 (-3.9A)
4CV  A 801 (-3.5A)
 0.48A 5j5xA-4yffA:
15.1		 5j5xA-4yffA:
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 GLY A 470
VAL A 477
ALA A 488
LEU A 595
ALA A 605
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.51A 5l2iA-4yffA:
21.4		 5l2iA-4yffA:
26.33
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 ILE A 469
GLY A 470
VAL A 477
ALA A 488
LEU A 595
ALA A 605
 4CV  A 801 (-4.3A)
4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.69A 5l2iA-4yffA:
21.4		 5l2iA-4yffA:
26.33
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 GLY A 470
VAL A 477
ALA A 488
LEU A 595
ALA A 605
ASP A 606
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
4CV  A 801 (-3.5A)
 0.71A 5l2tA-4yffA:
21.3		 5l2tA-4yffA:
26.33
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 9 ILE A 469
GLY A 470
VAL A 477
ALA A 488
ILE A 522
 4CV  A 801 (-4.3A)
4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
 0.38A 5lw1B-4yffA:
18.9		 5lw1B-4yffA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 ILE A 469
GLY A 470
VAL A 477
ALA A 488
LYS A 490
GLU A 509
TYR A 541
 4CV  A 801 (-4.3A)
4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-3.9A)
 0.53A 5mafA-4yffA:
22.9		 5mafA-4yffA:
13.73
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		5 / 10 VAL A 477
LYS A 490
GLU A 509
ILE A 537
GLY A 545
 None
4CV  A 801 (-3.9A)
None
None
4CV  A 801 ( 4.0A)
 0.60A 5mo4A-4yffA:
20.8		 5mo4A-4yffA:
21.54
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		7 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
THR A 539
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.59A 5y80A-4yffA:
23.2		 5y80A-4yffA:
12.22
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 7 VAL A 477
LYS A 490
ILE A 522
ASP A 606
 None
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.5A)
 0.72A 5ywmX-4yffA:
22.0		 5ywmX-4yffA:
14.47
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
GLU A 509
TYR A 541
GLY A 545
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 ( 3.9A)
 0.76A 5zv2A-4yffA:
24.4		 5zv2A-4yffA:
12.66
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		6 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
GLY A 545
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.0A)
4CV  A 801 ( 3.9A)
 0.64A 5zv2B-4yffA:
15.1		 5zv2B-4yffA:
12.66
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		9 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 522
THR A 539
TYR A 541
GLY A 545
LEU A 595
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
 0.75A 6bsdA-4yffA:
23.4		 6bsdA-4yffA:
15.15
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.
6F3N_B_ADNB505_2
(-)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 4 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.35A 6f3nB-4yffA:
undetectable		 6f3nB-4yffA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_A_ADNA501_2
(-)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.36A 6gbnA-4yffA:
undetectable		 6gbnA-4yffA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_D_ADND501_2
(-)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		4 / 5 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.35A 6gbnD-4yffA:
undetectable		 6gbnD-4yffA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.72A 6hd4A-4yffA:
19.0		 6hd4A-4yffA:
14.10
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.76A 6hd4B-4yffA:
18.9		 6hd4B-4yffA:
14.10
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens) 		8 / 12 VAL A 477
ALA A 488
LYS A 490
GLU A 509
ILE A 537
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.72A 6hd6A-4yffA:
24.7		 6hd6A-4yffA:
14.10