SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xsh'

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.	1AFS_A_TESA325_1 (3-ALPHA-HYDROXYSTERO ID DEHYDROGENASE)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 7	LEU B 82 THR B 143 ASN B 55 TYR B 47	None None NAI B 301 (-4.3A) NAI B 301 ( 4.8A)	1.10A	1afsA-4xshB: undetectable	1afsA-4xshB: 22.81
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.	1AFS_B_TESB325_1 (3-ALPHA-HYDROXYSTERO ID DEHYDROGENASE)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 7	LEU B 82 THR B 143 ASN B 55 TYR B 47	None None NAI B 301 (-4.3A) NAI B 301 ( 4.8A)	1.11A	1afsB-4xshB: undetectable	1afsB-4xshB: 22.81
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.	1Z9H_D_IMND476_1 (MEMBRANE-ASSOCIATED PROSTAGLANDIN E SYNTHASE-2)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 12	THR B 167 ILE B 93 VAL B 95 ILE B 218 VAL B 89	None	1.15A	1z9hD-4xshB: undetectable	1z9hD-4xshB: 20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C8A_A_NCAA1252_0 (MONO-ADP-RIBOSYLTRAN SFERASE C3)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 7	ARG B 97 SER B 142 ARG B 155 GLN B 183 GLU B 185	NAI B 301 ( 2.7A) NAI B 301 (-3.3A) NAI B 301 (-3.1A) NAI B 301 (-3.9A) NAI B 301 (-3.2A)	0.56A	2c8aA-4xshB: 26.7	2c8aA-4xshB: 36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C8A_A_NCAA1252_0 (MONO-ADP-RIBOSYLTRAN SFERASE C3)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 7	SER B 142 SER B 144 GLN B 183 GLU B 185	NAI B 301 (-3.3A) None NAI B 301 (-3.9A) NAI B 301 (-3.2A)	0.69A	2c8aA-4xshB: 26.7	2c8aA-4xshB: 36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C8A_B_NCAB1246_0 (MONO-ADP-RIBOSYLTRAN SFERASE C3)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 7	ARG B 97 GLY B 98 SER B 142 ARG B 155 GLU B 185	NAI B 301 ( 2.7A) NAI B 301 (-4.3A) NAI B 301 (-3.3A) NAI B 301 (-3.1A) NAI B 301 (-3.2A)	0.47A	2c8aB-4xshB: 26.7	2c8aB-4xshB: 36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C8A_C_NCAC1252_0 (MONO-ADP-RIBOSYLTRAN SFERASE C3)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 6	ARG B 97 SER B 142 ARG B 155 GLU B 185	NAI B 301 ( 2.7A) NAI B 301 (-3.3A) NAI B 301 (-3.1A) NAI B 301 (-3.2A)	0.38A	2c8aC-4xshB: 26.3	2c8aC-4xshB: 36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C8A_D_NCAD1247_0 (MONO-ADP-RIBOSYLTRAN SFERASE C3)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 7	ARG B 97 GLY B 98 SER B 142 ARG B 155 GLU B 185	NAI B 301 ( 2.7A) NAI B 301 (-4.3A) NAI B 301 (-3.3A) NAI B 301 (-3.1A) NAI B 301 (-3.2A)	0.36A	2c8aD-4xshB: 26.6	2c8aD-4xshB: 36.91
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.	2FCN_A_DVAA35_0 (UBIQUITIN)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 4	GLN B 211 GLU B 210 ILE B 113 PRO B 156	None	1.35A	2fcnA-4xshB: undetectable	2fcnA-4xshB: 17.65
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.	2FCN_B_DVAB35_0 (UBIQUITIN)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	4 / 6	GLN B 211 GLU B 210 ILE B 113 PRO B 156	None	1.09A	2fcnA-4xshB: undetectable 2fcnB-4xshB: undetectable	2fcnA-4xshB: 17.65 2fcnB-4xshB: 17.65
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.	3IAI_B_AZMB263_1 (CARBONIC ANHYDRASE 9)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 11	HIS B 168 VAL B 89 VAL B 95 LEU B 188 THR B 192	None	1.31A	3iaiB-4xshB: undetectable	3iaiB-4xshB: 21.58
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.	3IAI_C_AZMC263_1 (CARBONIC ANHYDRASE 9)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 11	HIS B 168 VAL B 89 VAL B 95 LEU B 188 THR B 192	None	1.31A	3iaiC-4xshB: undetectable	3iaiC-4xshB: 21.58
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.	4RVD_A_SAMA502_0 (D-MYCAROSE 3-C-METHYLTRANSFERAS E)	4xsh	ADP-RIBOSYLTRANSFERA SE (Bacillus cereus)	5 / 12	TYR B 194 ILE B 212 ALA B 216 ARG B 155 ILE B 126	EDO B 302 (-4.1A) None None NAI B 301 (-3.1A) None	1.07A	4rvdA-4xshB: undetectable	4rvdA-4xshB: 17.92

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1AFS_A_TESA325_1","3-ALPHA-HYDROXYSTEROID DEHYDROGENASE","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"LEU B  82;THR B 143;ASN B  55;TYR B  47","None;None;NAI B 301 (-4.3A);NAI B 301 ( 4.8A)","1.10A","1afsA-4xshB:undetectable","1afsA-4xshB:22.81"],["1AFS_B_TESB325_1","3-ALPHA-HYDROXYSTEROID DEHYDROGENASE","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"LEU B  82;THR B 143;ASN B  55;TYR B  47","None;None;NAI B 301 (-4.3A);NAI B 301 ( 4.8A)","1.11A","1afsB-4xshB:undetectable","1afsB-4xshB:22.81"],["1Z9H_D_IMND476_1","MEMBRANE-ASSOCIATED PROSTAGLANDIN E SYNTHASE-2","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"THR B 167;ILE B  93;VAL B  95;ILE B 218;VAL B  89","None","1.15A","1z9hD-4xshB:undetectable","1z9hD-4xshB:20.14"],["2C8A_A_NCAA1252_0","MONO-ADP-RIBOSYLTRANSFERASE C3","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"ARG B  97;SER B 142;ARG B 155;GLN B 183;GLU B 185","NAI B 301 ( 2.7A);NAI B 301 (-3.3A);NAI B 301 (-3.1A);NAI B 301 (-3.9A);NAI B 301 (-3.2A)","0.56A","2c8aA-4xshB:26.7","2c8aA-4xshB:36.91"],["2C8A_A_NCAA1252_0","MONO-ADP-RIBOSYLTRANSFERASE C3","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"SER B 142;SER B 144;GLN B 183;GLU B 185","NAI B 301 (-3.3A);None;NAI B 301 (-3.9A);NAI B 301 (-3.2A)","0.69A","2c8aA-4xshB:26.7","2c8aA-4xshB:36.91"],["2C8A_B_NCAB1246_0","MONO-ADP-RIBOSYLTRANSFERASE C3","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"ARG B  97;GLY B  98;SER B 142;ARG B 155;GLU B 185","NAI B 301 ( 2.7A);NAI B 301 (-4.3A);NAI B 301 (-3.3A);NAI B 301 (-3.1A);NAI B 301 (-3.2A)","0.47A","2c8aB-4xshB:26.7","2c8aB-4xshB:36.91"],["2C8A_C_NCAC1252_0","MONO-ADP-RIBOSYLTRANSFERASE C3","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"ARG B  97;SER B 142;ARG B 155;GLU B 185","NAI B 301 ( 2.7A);NAI B 301 (-3.3A);NAI B 301 (-3.1A);NAI B 301 (-3.2A)","0.38A","2c8aC-4xshB:26.3","2c8aC-4xshB:36.91"],["2C8A_D_NCAD1247_0","MONO-ADP-RIBOSYLTRANSFERASE C3","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"ARG B  97;GLY B  98;SER B 142;ARG B 155;GLU B 185","NAI B 301 ( 2.7A);NAI B 301 (-4.3A);NAI B 301 (-3.3A);NAI B 301 (-3.1A);NAI B 301 (-3.2A)","0.36A","2c8aD-4xshB:26.6","2c8aD-4xshB:36.91"],["2FCN_A_DVAA35_0","UBIQUITIN","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"GLN B 211;GLU B 210;ILE B 113;PRO B 156","None","1.35A","2fcnA-4xshB:undetectable","2fcnA-4xshB:17.65"],["2FCN_B_DVAB35_0","UBIQUITIN","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",4,"GLN B 211;GLU B 210;ILE B 113;PRO B 156","None","1.09A","2fcnA-4xshB:undetectable;2fcnB-4xshB:undetectable","2fcnA-4xshB:17.65;2fcnB-4xshB:17.65"],["3IAI_B_AZMB263_1","CARBONIC ANHYDRASE 9","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"HIS B 168;VAL B  89;VAL B  95;LEU B 188;THR B 192","None","1.31A","3iaiB-4xshB:undetectable","3iaiB-4xshB:21.58"],["3IAI_C_AZMC263_1","CARBONIC ANHYDRASE 9","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"HIS B 168;VAL B  89;VAL B  95;LEU B 188;THR B 192","None","1.31A","3iaiC-4xshB:undetectable","3iaiC-4xshB:21.58"],["4RVD_A_SAMA502_0","D-MYCAROSE 3-C-METHYLTRANSFERASE","4xsh","ADP-RIBOSYLTRANSFERASE","Bacillus cereus",5,"TYR B 194;ILE B 212;ALA B 216;ARG B 155;ILE B 126","EDO B 302 (-4.1A);None;None;NAI B 301 (-3.1A);None","1.07A","4rvdA-4xshB:undetectable","4rvdA-4xshB:17.92"]]