SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2r80'

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.	1LH6_A_NIOA155_1 (LEGHEMOGLOBIN A (NICOTINATE MET))	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	4 / 7	PHE A 43 PHE A 46 VAL A 62 HIS A 87	HEM A 150 (-3.8A) HEM A 150 ( 4.9A) HEM A 150 ( 3.8A) HEM A 150 (-3.3A)	0.88A	1lh6A-2r80A: 12.7	1lh6A-2r80A: 26.90
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_1FLB2003_1 (SERUM ALBUMIN)	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	5 / 10	PHE A 128 LEU A 136 HIS A 87 ILE A 76 ALA A 65	None None HEM A 150 (-3.3A) None HEM A 150 ( 4.0A)	0.99A	2bxeB-2r80A: 2.3	2bxeB-2r80A: 14.34
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.	2NV4_A_SAMA201_0 (UPF0066 PROTEIN AF_0241)	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	5 / 12	ALA A 65 GLY A 133 LEU A 130 LEU A 83 SER A 84	HEM A 150 ( 4.0A) HEM A 150 ( 4.4A) None HEM A 150 (-4.3A) None	1.22A	2nv4A-2r80A: undetectable	2nv4A-2r80A: 19.32
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.	3SMT_A_ACTA500_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD3)	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	3 / 3	PHE A 46 SER A 52 GLN A 54	HEM A 150 ( 4.9A) None None	0.73A	3smtA-2r80A: 1.2	3smtA-2r80A: 15.35
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.	4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMID INE KINASE)	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	5 / 10	GLY A 26 ALA A 21 GLY A 22 VAL A 62 VAL A 108	None None None HEM A 150 ( 3.8A) None	1.27A	4c5nD-2r80A: undetectable	4c5nD-2r80A: 22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5X2S_I_PEMI202_1 (HEMOGLOBIN SUBUNIT ALPHA HEMOGLOBIN SUBUNIT BETA)	2r80	HEMOGLOBIN SUBUNIT ALPHA-A (Columba livia)	4 / 8	PRO A 95 THR A 134 THR A 137 TYR A 140	None	0.65A	5x2sI-2r80A: 24.8 5x2sJ-2r80A: 21.5 5x2sK-2r80A: 25.3	5x2sI-2r80A: 68.79 5x2sJ-2r80A: 42.28 5x2sK-2r80A: 68.79

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1LH6_A_NIOA155_1","LEGHEMOGLOBIN A (NICOTINATE MET)","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",4,"PHE A  43;PHE A  46;VAL A  62;HIS A  87","HEM A 150 (-3.8A);HEM A 150 ( 4.9A);HEM A 150 ( 3.8A);HEM A 150 (-3.3A)","0.88A","1lh6A-2r80A:12.7","1lh6A-2r80A:26.90"],["2BXE_B_1FLB2003_1","SERUM ALBUMIN","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",5,"PHE A 128;LEU A 136;HIS A  87;ILE A  76;ALA A  65","None;None;HEM A 150 (-3.3A);None;HEM A 150 ( 4.0A)","0.99A","2bxeB-2r80A:2.3","2bxeB-2r80A:14.34"],["2NV4_A_SAMA201_0","UPF0066 PROTEIN AF_0241","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",5,"ALA A  65;GLY A 133;LEU A 130;LEU A  83;SER A  84","HEM A 150 ( 4.0A);HEM A 150 ( 4.4A);None;HEM A 150 (-4.3A);None","1.22A","2nv4A-2r80A:undetectable","2nv4A-2r80A:19.32"],["3SMT_A_ACTA500_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD3","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",3,"PHE A  46;SER A  52;GLN A  54","HEM A 150 ( 4.9A);None;None","0.73A","3smtA-2r80A:1.2","3smtA-2r80A:15.35"],["4C5N_D_UEGD300_1","PHOSPHOMETHYLPYRIMIDINE KINASE","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",5,"GLY A  26;ALA A  21;GLY A  22;VAL A  62;VAL A 108","None;None;None;HEM A 150 ( 3.8A);None","1.27A","4c5nD-2r80A:undetectable","4c5nD-2r80A:22.69"],["5X2S_I_PEMI202_1","HEMOGLOBIN SUBUNIT ALPHA;HEMOGLOBIN SUBUNIT BETA;HEMOGLOBIN SUBUNIT ALPHA","2r80","HEMOGLOBIN SUBUNIT ALPHA-A","Columba livia",4,"PRO A  95;THR A 134;THR A 137;TYR A 140","None","0.65A","5x2sI-2r80A:24.8;5x2sJ-2r80A:21.5;5x2sK-2r80A:25.3","5x2sI-2r80A:68.79;5x2sJ-2r80A:42.28;5x2sK-2r80A:68.79"]]