SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1in0'

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.
3CLB_A_TMQA611_1
(DHFR-TS)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 11 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 0.97A 3clbA-1in0A:
undetectable		 3clbA-1in0A:
15.86
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.
3CLB_B_TMQB612_1
(DHFR-TS)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 12 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 1.02A 3clbB-1in0A:
undetectable		 3clbB-1in0A:
15.86
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.
3CLB_C_TMQC613_1
(DHFR-TS)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 12 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 0.94A 3clbC-1in0A:
undetectable		 3clbC-1in0A:
15.86
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.
3CLB_D_TMQD614_1
(DHFR-TS)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 10 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 0.92A 3clbD-1in0A:
undetectable		 3clbD-1in0A:
15.86
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 10 ALA A  22
ILE A  48
ILE A  81
PRO A  82
ILE A  66
 None
 0.94A 3hbbD-1in0A:
undetectable		 3hbbD-1in0A:
15.86
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.
4RJD_B_TFPB204_1
(CALMODULIN)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		4 / 8 LEU A 152
GLY A 153
GLU A 151
GLU A  75
 None
 0.89A 4rjdA-1in0A:
undetectable
4rjdB-1in0A:
undetectable		 4rjdA-1in0A:
17.09
4rjdB-1in0A:
17.09
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.
4WQ4_B_ACTB403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		3 / 3 ARG A  33
ASP A  31
ARG A  29
 None
 0.55A 4wq4B-1in0A:
undetectable		 4wq4B-1in0A:
17.68
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		 1in0 YAJQ PROTEIN
(Haemophilus
influenzae) 		5 / 12 VAL A  19
LEU A  65
GLU A  20
ALA A  18
LEU A  79
 None
MMC  A 201 (-4.4A)
None
MMC  A 201 ( 3.7A)
HG  A 202 ( 4.3A)
 1.15A 6f6iA-1in0A:
undetectable
6f6iB-1in0A:
undetectable		 6f6iA-1in0A:
18.24
6f6iB-1in0A:
21.21