SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wqh'

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 (%)
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.	1I7Z_A_COCA301_1 (CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION)	2wqh	CTPR3Y3 (synthetic construct)	4 / 8	TYR A 99 LEU A 83 LEU A 106 GLU A 71	None None None MRD A1109 (-4.6A)	1.02A	1i7zA-2wqhA: undetectable	1i7zA-2wqhA: 18.43
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.	2BXE_B_1FLB2002_1 (SERUM ALBUMIN)	2wqh	CTPR3Y3 (synthetic construct)	5 / 11	ALA A 77 ALA A 79 LEU A 70 ALA A 69 GLU A 44	None None MRD A1109 (-4.7A) None None	0.91A	2bxeB-2wqhA: undetectable	2bxeB-2wqhA: 11.30
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.	4TWD_C_377C401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2wqh	CTPR3Y3 (synthetic construct)	4 / 6	TYR A 20 ASN A 17 GLU A 78 TYR A 47	None	1.19A	4twdB-2wqhA: undetectable 4twdC-2wqhA: undetectable	4twdB-2wqhA: 16.49 4twdC-2wqhA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4TWD_C_377C402_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2wqh	CTPR3Y3 (synthetic construct)	4 / 5	TYR A 20 ASN A 17 GLU A 78 TYR A 47	None	1.20A	4twdC-2wqhA: undetectable 4twdD-2wqhA: undetectable	4twdC-2wqhA: 16.49 4twdD-2wqhA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4TWD_E_377E401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2wqh	CTPR3Y3 (synthetic construct)	4 / 6	TYR A 20 ASN A 17 GLU A 78 TYR A 47	None	1.17A	4twdD-2wqhA: undetectable 4twdE-2wqhA: undetectable	4twdD-2wqhA: 16.49 4twdE-2wqhA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4TWD_H_377H401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2wqh	CTPR3Y3 (synthetic construct)	4 / 6	TYR A 20 ASN A 17 GLU A 78 TYR A 47	None	1.17A	4twdG-2wqhA: undetectable 4twdH-2wqhA: undetectable	4twdG-2wqhA: 16.49 4twdH-2wqhA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4TWD_J_377J401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2wqh	CTPR3Y3 (synthetic construct)	4 / 6	TYR A 20 ASN A 17 GLU A 78 TYR A 47	None	1.16A	4twdI-2wqhA: undetectable 4twdJ-2wqhA: undetectable	4twdI-2wqhA: 16.49 4twdJ-2wqhA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5I1O_H_DVAH9_0 (D-VILLIN HEADPIECE SUBDOMAIN VILLIN-1)	2wqh	CTPR3Y3 (synthetic construct)	3 / 3	ALA A 11 ASN A 14 LEU A 15	None	0.50A	5i1oA-2wqhA: undetectable	5i1oA-2wqhA: 15.24

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1I7Z_A_COCA301_1","CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  99;LEU A  83;LEU A 106;GLU A  71","None;None;None;MRD A1109 (-4.6A)","1.02A","1i7zA-2wqhA:undetectable","1i7zA-2wqhA:18.43"],["2BXE_B_1FLB2002_1","SERUM ALBUMIN","2wqh","CTPR3Y3","synthetic construct",5,"ALA A  77;ALA A  79;LEU A  70;ALA A  69;GLU A  44","None;None;MRD A1109 (-4.7A);None;None","0.91A","2bxeB-2wqhA:undetectable","2bxeB-2wqhA:11.30"],["4TWD_C_377C401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  20;ASN A  17;GLU A  78;TYR A  47","None","1.19A","4twdB-2wqhA:undetectable;4twdC-2wqhA:undetectable","4twdB-2wqhA:16.49;4twdC-2wqhA:16.49"],["4TWD_C_377C402_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  20;ASN A  17;GLU A  78;TYR A  47","None","1.20A","4twdC-2wqhA:undetectable;4twdD-2wqhA:undetectable","4twdC-2wqhA:16.49;4twdD-2wqhA:16.49"],["4TWD_E_377E401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  20;ASN A  17;GLU A  78;TYR A  47","None","1.17A","4twdD-2wqhA:undetectable;4twdE-2wqhA:undetectable","4twdD-2wqhA:16.49;4twdE-2wqhA:16.49"],["4TWD_H_377H401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  20;ASN A  17;GLU A  78;TYR A  47","None","1.17A","4twdG-2wqhA:undetectable;4twdH-2wqhA:undetectable","4twdG-2wqhA:16.49;4twdH-2wqhA:16.49"],["4TWD_J_377J401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2wqh","CTPR3Y3","synthetic construct",4,"TYR A  20;ASN A  17;GLU A  78;TYR A  47","None","1.16A","4twdI-2wqhA:undetectable;4twdJ-2wqhA:undetectable","4twdI-2wqhA:16.49;4twdJ-2wqhA:16.49"],["5I1O_H_DVAH9_0","D-VILLIN HEADPIECE SUBDOMAIN;VILLIN-1","2wqh","CTPR3Y3","synthetic construct",3,"ALA A  11;ASN A  14;LEU A  15","None","0.50A","5i1oA-2wqhA:undetectable","5i1oA-2wqhA:15.24"]]