SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kbb'

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 (%)
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.	1A4L_D_DCFD1853_2 (ADENOSINE DEAMINASE)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	4 / 4	HIS A 186 LEU A 83 LEU A 121 LEU A 93	HIS A 186 ( 1.0A) LEU A 83 ( 0.6A) LEU A 121 ( 0.6A) LEU A 93 ( 0.6A)	1.18A	1a4lD-3kbbA: undetectable	1a4lD-3kbbA: 21.31
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.	3DCJ_B_THHB401_0 (PROBABLE 5'-PHOSPHORIBOSYLGLY CINAMIDE FORMYLTRANSFERASE PURN)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	5 / 8	LEU A 123 LEU A 93 ASN A 86 THR A 15 VAL A 89	LEU A 123 ( 0.6A) LEU A 93 ( 0.6A) ASN A 86 ( 0.6A) THR A 15 ( 0.8A) VAL A 89 ( 0.6A)	1.35A	3dcjB-3kbbA: 3.7	3dcjB-3kbbA: 19.40
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.	4DO3_A_0LAA602_1 (FATTY-ACID AMIDE HYDROLASE 1)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	4 / 5	LEU A 105 LEU A 118 MET A 13 THR A 109	LEU A 105 ( 0.5A) LEU A 118 ( 0.6A) ARG A 117 ( 3.6A) THR A 109 (-0.8A)	1.10A	4do3A-3kbbA: 2.3	4do3A-3kbbA: 15.84
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.	4Q1W_A_017A104_2 (ASPARTYL PROTEASE)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	5 / 10	ALA A 106 ASP A 7 VAL A 162 VAL A 160 ILE A 5	ALA A 106 ( 0.0A) ASP A 7 (-0.5A) VAL A 162 ( 0.6A) VAL A 160 ( 0.6A) ILE A 5 ( 0.7A)	1.05A	4q1wB-3kbbA: undetectable	4q1wB-3kbbA: 17.06
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.	4RYA_A_MTLA501_1 (ABC TRANSPORTER SUBSTRATE BINDING PROTEIN (SORBITOL))	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	3 / 3	GLU A 113 TYR A 19 GLU A 47	GLU A 113 ( 0.6A) TYR A 19 ( 1.3A) GLU A 47 (-0.6A)	0.82A	4ryaA-3kbbA: undetectable	4ryaA-3kbbA: 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.	4YSH_B_GLYB401_0 (GLYCINE OXIDASE)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	4 / 6	PHE A 163 GLY A 183 TYR A 182 ALA A 201	PHE A 163 ( 1.3A) GLY A 183 ( 0.0A) TYR A 182 ( 1.3A) ALA A 201 ( 0.0A)	1.22A	4yshB-3kbbA: undetectable	4yshB-3kbbA: 22.69
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.	6AN0_A_HISA520_0 (HISTIDINOL DEHYDROGENASE)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	5 / 6	GLU A 164 LYS A 167 GLU A 171 ALA A 172 LYS A 140	GLU A 164 ( 0.6A) LYS A 167 (-0.0A) GLU A 171 ( 0.6A) ALA A 172 ( 0.0A) LYS A 140 (-0.0A)	1.48A	6an0A-3kbbA: 4.2	6an0A-3kbbA: 18.53
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.	6AZ3_1_PAR11803_1 (RRNA ALPHA RIBOSOMAL PROTEIN EL18)	3kbb	PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254 (Thermotoga maritima)	3 / 3	SER A 168 LYS A 167 SER A 166	SER A 168 (-0.0A) LYS A 167 (-0.0A) SER A 166 (-0.0A)	0.85A	6az3P-3kbbA: undetectable	6az3P-3kbbA: 20.48

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A4L_D_DCFD1853_2","ADENOSINE DEAMINASE","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",4,"HIS A 186;LEU A  83;LEU A 121;LEU A  93","HIS A 186 ( 1.0A);LEU A  83 ( 0.6A);LEU A 121 ( 0.6A);LEU A  93 ( 0.6A)","1.18A","1a4lD-3kbbA:undetectable","1a4lD-3kbbA:21.31"],["3DCJ_B_THHB401_0","PROBABLE 5'-PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE PURN","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",5,"LEU A 123;LEU A  93;ASN A  86;THR A  15;VAL A  89","LEU A 123 ( 0.6A);LEU A  93 ( 0.6A);ASN A  86 ( 0.6A);THR A  15 ( 0.8A);VAL A  89 ( 0.6A)","1.35A","3dcjB-3kbbA:3.7","3dcjB-3kbbA:19.40"],["4DO3_A_0LAA602_1","FATTY-ACID AMIDE HYDROLASE 1","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",4,"LEU A 105;LEU A 118;MET A  13;THR A 109","LEU A 105 ( 0.5A);LEU A 118 ( 0.6A);ARG A 117 ( 3.6A);THR A 109 (-0.8A)","1.10A","4do3A-3kbbA:2.3","4do3A-3kbbA:15.84"],["4Q1W_A_017A104_2","ASPARTYL PROTEASE;ASPARTYL PROTEASE","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",5,"ALA A 106;ASP A   7;VAL A 162;VAL A 160;ILE A   5","ALA A 106 ( 0.0A);ASP A   7 (-0.5A);VAL A 162 ( 0.6A);VAL A 160 ( 0.6A);ILE A   5 ( 0.7A)","1.05A","4q1wB-3kbbA:undetectable","4q1wB-3kbbA:17.06"],["4RYA_A_MTLA501_1","ABC TRANSPORTER SUBSTRATE BINDING PROTEIN (SORBITOL)","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",3,"GLU A 113;TYR A  19;GLU A  47","GLU A 113 ( 0.6A);TYR A  19 ( 1.3A);GLU A  47 (-0.6A)","0.82A","4ryaA-3kbbA:undetectable","4ryaA-3kbbA:17.65"],["4YSH_B_GLYB401_0","GLYCINE OXIDASE","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",4,"PHE A 163;GLY A 183;TYR A 182;ALA A 201","PHE A 163 ( 1.3A);GLY A 183 ( 0.0A);TYR A 182 ( 1.3A);ALA A 201 ( 0.0A)","1.22A","4yshB-3kbbA:undetectable","4yshB-3kbbA:22.69"],["6AN0_A_HISA520_0","HISTIDINOL DEHYDROGENASE","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",5,"GLU A 164;LYS A 167;GLU A 171;ALA A 172;LYS A 140","GLU A 164 ( 0.6A);LYS A 167 (-0.0A);GLU A 171 ( 0.6A);ALA A 172 ( 0.0A);LYS A 140 (-0.0A)","1.48A","6an0A-3kbbA:4.2","6an0A-3kbbA:18.53"],["6AZ3_1_PAR11803_1","RRNA ALPHA;RIBOSOMAL PROTEIN EL18","3kbb","PHOSPHORYLATED CARBOHYDRATES PHOSPHATASE TM_1254","Thermotoga maritima",3,"SER A 168;LYS A 167;SER A 166","SER A 168 (-0.0A);LYS A 167 (-0.0A);SER A 166 (-0.0A)","0.85A","6az3P-3kbbA:undetectable","6az3P-3kbbA:20.48"]]