SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1g1s'

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.	1C4D_D_DVAD8_0 (GRAMICIDIN A)	1g1s	P-SELECTIN (Homo sapiens)	3 / 3	TRP A 50 VAL A 27 TRP A 12	None MRD A 807 ( 4.7A) None	1.26A	1c4dC-1g1sA: undetectable 1c4dD-1g1sA: undetectable	1c4dC-1g1sA: 9.00 1c4dD-1g1sA: 9.00
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.	3V81_A_NVPA901_1 (HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT)	1g1s	P-SELECTIN (Homo sapiens)	4 / 8	VAL A 27 TYR A 49 TYR A 5 TYR A 37	MRD A 807 ( 4.7A) None None None	1.11A	3v81A-1g1sA: undetectable	3v81A-1g1sA: 13.49
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.	3ZQ8_D_DVAD8_0 (VAL-GRAMICIDIN A)	1g1s	P-SELECTIN (Homo sapiens)	3 / 3	TRP A 50 VAL A 27 TRP A 12	None MRD A 807 ( 4.7A) None	1.06A	3zq8C-1g1sA: undetectable 3zq8D-1g1sA: undetectable	3zq8C-1g1sA: 9.00 3zq8D-1g1sA: 9.00
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.	4YV5_B_SVRB207_2 (BASIC PHOSPHOLIPASE A2 HOMOLOG 2)	1g1s	P-SELECTIN (Homo sapiens)	4 / 7	LYS A 112 LYS A 113 TYR A 10 LEU A 116	None	1.27A	4yv5B-1g1sA: 0.0	4yv5B-1g1sA: 21.47
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.	5LAK_I_BEZI1_0 (3CL PROTEASE BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR)	1g1s	P-SELECTIN (Homo sapiens)	3 / 3	SER A 46 TYR A 45 TYR A 44	None	0.70A	5lakA-1g1sA: 0.0 5lakI-1g1sA: undetectable	5lakA-1g1sA: 15.31 5lakI-1g1sA: 3.25
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.	5LAK_J_BEZJ1_0 (3CL PROTEASE BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR)	1g1s	P-SELECTIN (Homo sapiens)	3 / 3	SER A 46 TYR A 45 TYR A 44	None	0.63A	5lakC-1g1sA: 0.0 5lakJ-1g1sA: undetectable	5lakC-1g1sA: 15.31 5lakJ-1g1sA: 3.25

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C4D_D_DVAD8_0","GRAMICIDIN A","1g1s","P-SELECTIN","Homo sapiens",3,"TRP A  50;VAL A  27;TRP A  12","None;MRD A 807 ( 4.7A);None","1.26A","1c4dC-1g1sA:undetectable;1c4dD-1g1sA:undetectable","1c4dC-1g1sA:9.00;1c4dD-1g1sA:9.00"],["3V81_A_NVPA901_1","HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT","1g1s","P-SELECTIN","Homo sapiens",4,"VAL A  27;TYR A  49;TYR A   5;TYR A  37","MRD A 807 ( 4.7A);None;None;None","1.11A","3v81A-1g1sA:undetectable","3v81A-1g1sA:13.49"],["3ZQ8_D_DVAD8_0","VAL-GRAMICIDIN A","1g1s","P-SELECTIN","Homo sapiens",3,"TRP A  50;VAL A  27;TRP A  12","None;MRD A 807 ( 4.7A);None","1.06A","3zq8C-1g1sA:undetectable;3zq8D-1g1sA:undetectable","3zq8C-1g1sA:9.00;3zq8D-1g1sA:9.00"],["4YV5_B_SVRB207_2","BASIC PHOSPHOLIPASE A2 HOMOLOG 2","1g1s","P-SELECTIN","Homo sapiens",4,"LYS A 112;LYS A 113;TYR A  10;LEU A 116","None","1.27A","4yv5B-1g1sA:0.0","4yv5B-1g1sA:21.47"],["5LAK_I_BEZI1_0","3CL PROTEASE;BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR","1g1s","P-SELECTIN","Homo sapiens",3,"SER A  46;TYR A  45;TYR A  44","None","0.70A","5lakA-1g1sA:0.0;5lakI-1g1sA:undetectable","5lakA-1g1sA:15.31;5lakI-1g1sA:3.25"],["5LAK_J_BEZJ1_0","3CL PROTEASE;BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR","1g1s","P-SELECTIN","Homo sapiens",3,"SER A  46;TYR A  45;TYR A  44","None","0.63A","5lakC-1g1sA:0.0;5lakJ-1g1sA:undetectable","5lakC-1g1sA:15.31;5lakJ-1g1sA:3.25"]]