SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ini'

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.	4PBH_A_BEZA401_0 (TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE)	4ini	HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL (Homo sapiens)	5 / 12	ILE A 150 ALA A 103 LEU A 114 ASP A 107 LEU A 110	None	1.39A	4pbhA-4iniA: undetectable	4pbhA-4iniA: 19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KM8_B_L8PB201_1 (HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL)	4ini	HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL (Homo sapiens)	6 / 8	GLN A 84 ASN A 136 ALA A 142 GLN A 143 SER A 144 HIS A 151	1PE A 202 ( 4.2A) AMP A 201 (-3.8A) 1PE A 202 ( 4.0A) None AMP A 201 ( 2.6A) AMP A 201 (-4.1A)	0.25A	5km8A-4iniA: 21.1 5km8B-4iniA: 20.1	5km8A-4iniA: 91.55 5km8B-4iniA: 91.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KM9_B_ADNB201_1 (HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL)	4ini	HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL (Homo sapiens)	6 / 12	ASP A 80 VAL A 81 ALA A 82 LEU A 90 VAL A 145 HIS A 149	AMP A 201 (-2.8A) AMP A 201 (-3.9A) AMP A 201 ( 3.7A) AMP A 201 ( 4.8A) AMP A 201 (-4.0A) AMP A 201 ( 4.1A)	1.07A	5km9B-4iniA: 20.2	5km9B-4iniA: 91.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KM9_B_ADNB201_1 (HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL)	4ini	HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL (Homo sapiens)	6 / 12	ASP A 80 VAL A 81 ALA A 82 LEU A 90 VAL A 145 HIS A 151	AMP A 201 (-2.8A) AMP A 201 (-3.9A) AMP A 201 ( 3.7A) AMP A 201 ( 4.8A) AMP A 201 (-4.0A) AMP A 201 (-4.1A)	0.40A	5km9B-4iniA: 20.2	5km9B-4iniA: 91.55

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["4PBH_A_BEZA401_0","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE","4ini","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","Homo sapiens",5,"ILE A 150;ALA A 103;LEU A 114;ASP A 107;LEU A 110","None","1.39A","4pbhA-4iniA:undetectable","4pbhA-4iniA:19.37"],["5KM8_B_L8PB201_1","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL;HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","4ini","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","Homo sapiens",6,"GLN A  84;ASN A 136;ALA A 142;GLN A 143;SER A 144;HIS A 151","1PE A 202 ( 4.2A);AMP A 201 (-3.8A);1PE A 202 ( 4.0A);None;AMP A 201 ( 2.6A);AMP A 201 (-4.1A)","0.25A","5km8A-4iniA:21.1;5km8B-4iniA:20.1","5km8A-4iniA:91.55;5km8B-4iniA:91.55"],["5KM9_B_ADNB201_1","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","4ini","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","Homo sapiens",6,"ASP A  80;VAL A  81;ALA A  82;LEU A  90;VAL A 145;HIS A 149","AMP A 201 (-2.8A);AMP A 201 (-3.9A);AMP A 201 ( 3.7A);AMP A 201 ( 4.8A);AMP A 201 (-4.0A);AMP A 201 ( 4.1A)","1.07A","5km9B-4iniA:20.2","5km9B-4iniA:91.55"],["5KM9_B_ADNB201_1","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","4ini","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","Homo sapiens",6,"ASP A  80;VAL A  81;ALA A  82;LEU A  90;VAL A 145;HIS A 151","AMP A 201 (-2.8A);AMP A 201 (-3.9A);AMP A 201 ( 3.7A);AMP A 201 ( 4.8A);AMP A 201 (-4.0A);AMP A 201 (-4.1A)","0.40A","5km9B-4iniA:20.2","5km9B-4iniA:91.55"]]