SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qyg'

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)

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	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)	View	Dock
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.	1C8L_A_CFFA940_1 (PROTEIN (GLYCOGEN PHOSPHORYLASE))	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 6	ASN B 47 HIS B 147 ALA B 174 GLY B 177	None	1.13A	1c8lA-3qygB: undetectable	1c8lA-3qygB: 14.35
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.	1P7L_C_SAMC685_0 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.20A	1p7lC-3qygB: undetectable	1p7lC-3qygB: 21.39
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.	1P7L_C_SAMC885_1 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.20A	1p7lD-3qygB: undetectable	1p7lD-3qygB: 21.39
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.	1RG9_A_SAMA385_0 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.17A	1rg9A-3qygB: undetectable	1rg9A-3qygB: 21.39
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.	1RG9_B_SAMB485_1 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.18A	1rg9B-3qygB: undetectable	1rg9B-3qygB: 21.39
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.	1RG9_C_SAMC585_0 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.20A	1rg9C-3qygB: undetectable	1rg9C-3qygB: 21.39
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.	1RG9_C_SAMC685_1 (S-ADENOSYLMETHIONINE SYNTHETASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.20A	1rg9D-3qygB: undetectable	1rg9D-3qygB: 21.39
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.	4AE1_B_NCAB1536_0 (DIPHTHERIA TOXIN)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 5	HIS B 71 GLY B 66 TYR B 69 GLU B 30	None	1.36A	4ae1B-3qygB: undetectable	4ae1B-3qygB: 17.43
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.	5T8S_B_SAMB402_1 (S-ADENOSYLMETHIONINE SYNTHASE)	3qyg	CO-TYPE NITRILE HYDRATASE BETA SUBUNIT (Pseudomonas putida)	4 / 8	HIS B 147 PRO B 171 ASP B 172 THR B 154	None	1.15A	5t8sB-3qygB: undetectable	5t8sB-3qygB: 19.54

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C8L_A_CFFA940_1","PROTEIN (GLYCOGEN PHOSPHORYLASE)","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"ASN B  47;HIS B 147;ALA B 174;GLY B 177","None","1.13A","1c8lA-3qygB:undetectable","1c8lA-3qygB:14.35"],["1P7L_C_SAMC685_0","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.20A","1p7lC-3qygB:undetectable","1p7lC-3qygB:21.39"],["1P7L_C_SAMC885_1","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.20A","1p7lD-3qygB:undetectable","1p7lD-3qygB:21.39"],["1RG9_A_SAMA385_0","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.17A","1rg9A-3qygB:undetectable","1rg9A-3qygB:21.39"],["1RG9_B_SAMB485_1","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.18A","1rg9B-3qygB:undetectable","1rg9B-3qygB:21.39"],["1RG9_C_SAMC585_0","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.20A","1rg9C-3qygB:undetectable","1rg9C-3qygB:21.39"],["1RG9_C_SAMC685_1","S-ADENOSYLMETHIONINE SYNTHETASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.20A","1rg9D-3qygB:undetectable","1rg9D-3qygB:21.39"],["4AE1_B_NCAB1536_0","DIPHTHERIA TOXIN","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B  71;GLY B  66;TYR B  69;GLU B  30","None","1.36A","4ae1B-3qygB:undetectable","4ae1B-3qygB:17.43"],["5T8S_B_SAMB402_1","S-ADENOSYLMETHIONINE SYNTHASE","3qyg","CO-TYPE NITRILE HYDRATASE BETA SUBUNIT","Pseudomonas putida",4,"HIS B 147;PRO B 171;ASP B 172;THR B 154","None","1.15A","5t8sB-3qygB:undetectable","5t8sB-3qygB:19.54"]]