SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4l01'

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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		5 / 12 LEU A 702
LEU A 737
GLY A 713
CYH A 763
ALA A 760
 None
 1.19A 2bm9C-4l01A:
undetectable		 2bm9C-4l01A:
21.57
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.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		3 / 3 SER A 632
ASP A 630
ASP A 660
 None
 0.82A 3iv6A-4l01A:
undetectable		 3iv6A-4l01A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		6 / 11 LYS A 622
VAL A 651
PHE A 669
GLY A 673
LEU A 721
SER A 738
 None
 0.75A 3miyA-4l01A:
28.9		 3miyA-4l01A:
28.62
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.
3PHA_A_ACRA701_2
(ALPHA-GLUCOSIDASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		4 / 5 PRO A 757
ILE A 756
TYR A 788
MET A 824
 None
 1.16A 3phaA-4l01A:
undetectable		 3phaA-4l01A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		6 / 11 LEU A 589
LYS A 622
VAL A 651
PHE A 669
GLY A 673
LEU A 721
 None
 0.77A 4agdA-4l01A:
26.0		 4agdA-4l01A:
24.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FVQ_A_ACTA903_0
(TYROSINE-PROTEIN
KINASE JAK2)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		4 / 4 ASN A 714
CYH A 716
ARG A 755
TRP A 758
 None
 0.68A 4fvqA-4l01A:
37.5		 4fvqA-4l01A:
49.50
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.
4G5J_A_0WMA1103_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		4 / 5 ASN A 789
MET A 679
HIS A 680
LEU A 677
 None
 1.21A 4g5jA-4l01A:
26.7		 4g5jA-4l01A:
26.76
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.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		3 / 3 LYS A 648
HIS A 647
HIS A 649
 None
 0.99A 5oexA-4l01A:
undetectable		 5oexA-4l01A:
19.33
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.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		3 / 3 LYS A 648
HIS A 647
HIS A 649
 None
 0.99A 5oexB-4l01A:
undetectable		 5oexB-4l01A:
19.33
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.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		3 / 3 LYS A 648
HIS A 647
HIS A 649
 None
 1.01A 5oexC-4l01A:
undetectable		 5oexC-4l01A:
19.33
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.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		3 / 3 LYS A 648
HIS A 647
HIS A 649
 None
 1.01A 5oexD-4l01A:
undetectable		 5oexD-4l01A:
19.33
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		5 / 12 MET A 641
MET A 642
GLU A 706
LEU A 710
PHE A 838
 None
 1.36A 5vlmB-4l01A:
undetectable		 5vlmB-4l01A:
20.72
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4l01 TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		4 / 8 LEU A 848
LEU A 698
ALA A 695
LEU A 783
 None
 0.73A 5y7pC-4l01A:
undetectable		 5y7pC-4l01A:
22.16