SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3w0d'

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.
1SBR_A_VIBA501_1
(YKOF)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		4 / 8 LEU A  16
ILE A  63
ILE A  62
THR A  22
 None
 0.96A 1sbrA-3w0dA:
undetectable		 1sbrA-3w0dA:
17.53
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		4 / 8 THR A  22
TYR A  21
GLN A  19
ILE A  62
 None
 1.02A 2xytE-3w0dA:
undetectable		 2xytE-3w0dA:
18.58
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		4 / 8 THR A  22
TYR A  21
GLN A  19
ILE A  62
 None
 1.05A 2xytH-3w0dA:
undetectable		 2xytH-3w0dA:
18.58
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		4 / 7 THR A  22
TYR A  21
GLN A  19
ILE A  62
 None
 1.08A 2xytI-3w0dA:
undetectable		 2xytI-3w0dA:
18.58
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		5 / 11 PHE A  11
ALA A  24
ALA A  28
ALA A  26
VAL A  36
 None
 1.11A 4j6cA-3w0dA:
undetectable		 4j6cA-3w0dA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		5 / 12 PHE A  11
ALA A  24
ALA A  28
ALA A  26
VAL A  36
 None
 1.06A 4j6dA-3w0dA:
undetectable		 4j6dA-3w0dA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		5 / 12 PHE A  11
ALA A  24
ALA A  28
ALA A  26
VAL A  36
 None
 1.04A 4j6dB-3w0dA:
undetectable		 4j6dB-3w0dA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		4 / 5 ILE A  54
SER A  64
HIS A  66
ASP A  41
 None
 1.27A 4rzvB-3w0dA:
undetectable		 4rzvB-3w0dA:
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.
6F7L_B_ACTB505_0
(AMINE OXIDASE LKCE)		 3w0d ELASTASE INHIBITOR
AFUEI
(Aspergillus
fumigatus) 		3 / 3 HIS A  66
ASN A  53
LEU A  52
 None
 0.85A 6f7lB-3w0dA:
undetectable		 6f7lB-3w0dA:
9.07