SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gqp'

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.	1E7W_A_MTXA301_1 (PTERIDINE REDUCTASE)	4gqp	ANTI-METH SCFV (Mus musculus)	5 / 12	ARG H 66 PRO H 41 LEU H 20 LEU H 18 ASP H 86	None	1.34A	1e7wA-4gqpH: undetectable	1e7wA-4gqpH: 21.73
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.	2J9C_C_ACTC1120_0 (HYPOTHETICAL NITROGEN REGULATORY PII-LIKE PROTEIN MJ0059)	4gqp	ANTI-METH SCFV (Mus musculus)	3 / 3	LYS H 64 TYR H 58 PRO H 61	None	0.95A	2j9cC-4gqpH: undetectable	2j9cC-4gqpH: 16.60
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.	2PCP_C_1PCC212_1 (IMMUNOGLOBULIN)	4gqp	ANTI-METH SCFV (Mus musculus)	5 / 10	HIS H1032 PHE H1098 TYR H 50 TYR H 58 SER H 35	None None B40 H1201 (-4.3A) None B40 H1201 (-3.4A)	1.48A	2pcpC-4gqpH: 20.6 2pcpD-4gqpH: 18.4	2pcpC-4gqpH: 25.10 2pcpD-4gqpH: 33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3GKZ_A_B40A500_1 (ANTI-METHAMPHETAMINE SINGLE CHAIN FV)	4gqp	ANTI-METH SCFV (Mus musculus)	11 / 11	TYR H 33 SER H 35 TYR H 47 TYR H 50 PHE H 95 GLU H 101 TYR H1034 TYR H1036 HIS H1089 TRP H1091 PHE H1096	B40 H1201 (-3.7A) B40 H1201 (-3.4A) B40 H1201 (-4.6A) B40 H1201 (-4.3A) B40 H1201 (-3.7A) B40 H1201 (-3.1A) B40 H1201 (-4.0A) None B40 H1201 (-4.1A) B40 H1201 (-3.9A) B40 H1201 ( 4.8A)	0.13A	3gkzA-4gqpH: 40.5	3gkzA-4gqpH: 99.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3GM0_A_B41A600_1 (ANTI-METHAMPHETAMINE SINGLE CHAIN FV)	4gqp	ANTI-METH SCFV (Mus musculus)	11 / 11	TYR H 33 SER H 35 TYR H 47 TYR H 50 PHE H 95 GLU H 101 TYR H1034 TYR H1036 HIS H1089 TRP H1091 PHE H1096	B40 H1201 (-3.7A) B40 H1201 (-3.4A) B40 H1201 (-4.6A) B40 H1201 (-4.3A) B40 H1201 (-3.7A) B40 H1201 (-3.1A) B40 H1201 (-4.0A) None B40 H1201 (-4.1A) B40 H1201 (-3.9A) B40 H1201 ( 4.8A)	0.23A	3gm0A-4gqpH: 39.1	3gm0A-4gqpH: 99.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3GM0_A_B41A600_1 (ANTI-METHAMPHETAMINE SINGLE CHAIN FV)	4gqp	ANTI-METH SCFV (Mus musculus)	8 / 11	TYR H 50 SER H 35 GLU H 101 TYR H1034 TYR H1036 HIS H1089 TRP H1091 PHE H1096	B40 H1201 (-4.3A) B40 H1201 (-3.4A) B40 H1201 (-3.1A) B40 H1201 (-4.0A) None B40 H1201 (-4.1A) B40 H1201 (-3.9A) B40 H1201 ( 4.8A)	1.23A	3gm0A-4gqpH: 39.1	3gm0A-4gqpH: 99.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4LAR_L_1WEL300_1 (SINGLE HEAVY CHAIN VARIABLE FRAGMENT SINGLE LIGHT CHAIN VARIABLE FRAGMENT)	4gqp	ANTI-METH SCFV (Mus musculus)	10 / 10	TYR H 33 SER H 35 TYR H 47 TYR H 50 PHE H 95 GLU H 101 TYR H1036 HIS H1089 TRP H1091 PHE H1096	B40 H1201 (-3.7A) B40 H1201 (-3.4A) B40 H1201 (-4.6A) B40 H1201 (-4.3A) B40 H1201 (-3.7A) B40 H1201 (-3.1A) None B40 H1201 (-4.1A) B40 H1201 (-3.9A) B40 H1201 ( 4.8A)	0.22A	4larH-4gqpH: 25.1 4larL-4gqpH: 13.8	4larH-4gqpH: 99.15 4larL-4gqpH: 100.00
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.	5ACL_A_SASA1111_1 (MCG)	4gqp	ANTI-METH SCFV (Mus musculus)	4 / 7	TYR H 94 SER H 35 TYR H 47 TYR H 33	None B40 H1201 (-3.4A) B40 H1201 (-4.6A) B40 H1201 (-3.7A)	0.96A	5aclA-4gqpH: 17.5	5aclA-4gqpH: 25.64

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E7W_A_MTXA301_1","PTERIDINE REDUCTASE","4gqp","ANTI-METH SCFV","Mus musculus",5,"ARG H  66;PRO H  41;LEU H  20;LEU H  18;ASP H  86","None","1.34A","1e7wA-4gqpH:undetectable","1e7wA-4gqpH:21.73"],["2J9C_C_ACTC1120_0","HYPOTHETICAL NITROGEN REGULATORY PII-LIKE PROTEIN MJ0059","4gqp","ANTI-METH SCFV","Mus musculus",3,"LYS H  64;TYR H  58;PRO H  61","None","0.95A","2j9cC-4gqpH:undetectable","2j9cC-4gqpH:16.60"],["2PCP_C_1PCC212_1","IMMUNOGLOBULIN;IMMUNOGLOBULIN","4gqp","ANTI-METH SCFV","Mus musculus",5,"HIS H1032;PHE H1098;TYR H  50;TYR H  58;SER H  35","None;None;B40 H1201 (-4.3A);None;B40 H1201 (-3.4A)","1.48A","2pcpC-4gqpH:20.6;2pcpD-4gqpH:18.4","2pcpC-4gqpH:25.10;2pcpD-4gqpH:33.06"],["3GKZ_A_B40A500_1","ANTI-METHAMPHETAMINE SINGLE CHAIN FV","4gqp","ANTI-METH SCFV","Mus musculus",11,"TYR H  33;SER H  35;TYR H  47;TYR H  50;PHE H  95;GLU H 101;TYR H1034;TYR H1036;HIS H1089;TRP H1091;PHE H1096","B40 H1201 (-3.7A);B40 H1201 (-3.4A);B40 H1201 (-4.6A);B40 H1201 (-4.3A);B40 H1201 (-3.7A);B40 H1201 (-3.1A);B40 H1201 (-4.0A);None;B40 H1201 (-4.1A);B40 H1201 (-3.9A);B40 H1201 ( 4.8A)","0.13A","3gkzA-4gqpH:40.5","3gkzA-4gqpH:99.60"],["3GM0_A_B41A600_1","ANTI-METHAMPHETAMINE SINGLE CHAIN FV","4gqp","ANTI-METH SCFV","Mus musculus",11,"TYR H  33;SER H  35;TYR H  47;TYR H  50;PHE H  95;GLU H 101;TYR H1034;TYR H1036;HIS H1089;TRP H1091;PHE H1096","B40 H1201 (-3.7A);B40 H1201 (-3.4A);B40 H1201 (-4.6A);B40 H1201 (-4.3A);B40 H1201 (-3.7A);B40 H1201 (-3.1A);B40 H1201 (-4.0A);None;B40 H1201 (-4.1A);B40 H1201 (-3.9A);B40 H1201 ( 4.8A)","0.23A","3gm0A-4gqpH:39.1","3gm0A-4gqpH:99.60"],["3GM0_A_B41A600_1","ANTI-METHAMPHETAMINE SINGLE CHAIN FV","4gqp","ANTI-METH SCFV","Mus musculus",8,"TYR H  50;SER H  35;GLU H 101;TYR H1034;TYR H1036;HIS H1089;TRP H1091;PHE H1096","B40 H1201 (-4.3A);B40 H1201 (-3.4A);B40 H1201 (-3.1A);B40 H1201 (-4.0A);None;B40 H1201 (-4.1A);B40 H1201 (-3.9A);B40 H1201 ( 4.8A)","1.23A","3gm0A-4gqpH:39.1","3gm0A-4gqpH:99.60"],["4LAR_L_1WEL300_1","SINGLE HEAVY CHAIN VARIABLE FRAGMENT;SINGLE LIGHT CHAIN VARIABLE FRAGMENT","4gqp","ANTI-METH SCFV","Mus musculus",10,"TYR H  33;SER H  35;TYR H  47;TYR H  50;PHE H  95;GLU H 101;TYR H1036;HIS H1089;TRP H1091;PHE H1096","B40 H1201 (-3.7A);B40 H1201 (-3.4A);B40 H1201 (-4.6A);B40 H1201 (-4.3A);B40 H1201 (-3.7A);B40 H1201 (-3.1A);None;B40 H1201 (-4.1A);B40 H1201 (-3.9A);B40 H1201 ( 4.8A)","0.22A","4larH-4gqpH:25.1;4larL-4gqpH:13.8","4larH-4gqpH:99.15;4larL-4gqpH:100.00"],["5ACL_A_SASA1111_1","MCG","4gqp","ANTI-METH SCFV","Mus musculus",4,"TYR H  94;SER H  35;TYR H  47;TYR H  33","None;B40 H1201 (-3.4A);B40 H1201 (-4.6A);B40 H1201 (-3.7A)","0.96A","5aclA-4gqpH:17.5","5aclA-4gqpH:25.64"]]