SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'EXA'

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.	1P93_D_DEXD4999_2 (GLUCOCORTICOID RECEPTOR)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	4 / 5	LEU C 43 TRP C 248 MET C 337 LEU C 340	None EXA C 247 ( 3.9A) None None	1.28A	1p93D-5v12C: undetectable	1p93D-5v12C: 13.31
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.	4EIL_A_FOLA703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 11	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.45A	4eilA-5v12C: 2.9	4eilA-5v12C: undetectable
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.	4KYA_A_FOLA703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 11	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.45A	4kyaA-5v12C: 2.9	4kyaA-5v12C: undetectable
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.	4KYA_D_FOLD703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 12	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.47A	4kyaD-5v12C: undetectable	4kyaD-5v12C: undetectable
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.	4KYA_E_FOLE703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 11	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.44A	4kyaE-5v12C: undetectable	4kyaE-5v12C: undetectable
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.	4KYA_F_FOLF703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 12	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.45A	4kyaF-5v12C: undetectable	4kyaF-5v12C: undetectable
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.	4KYA_G_FOLG703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 11	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.42A	4kyaG-5v12C: 2.4	4kyaG-5v12C: undetectable
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.	4KYA_H_FOLH703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 12	ALA C 106 SER C 47 MET C 228 ARG C 438 THR C 107	EXA C 247 ( 3.5A) FMT C 501 (-3.2A) None FMT C 501 (-3.2A) EXA C 247 ( 3.5A)	1.48A	4kyaH-5v12C: undetectable	4kyaH-5v12C: undetectable
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.	4MM4_A_8PRA603_1 (TRANSPORTER)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	5 / 12	VAL C 190 ALA C 189 TYR C 129 SER C 154 ASP C 221	None None None None EXA C 247 ( 3.0A)	1.27A	4mm4A-5v12C: undetectable	4mm4A-5v12C: 10.21
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.	5HPU_C_IPHC101_0 (INSULIN, CHAIN A INSULIN, CHAIN B)	5v12	HERCYNYLCYSTEINE SULFOXIDE LYASE (Neurospora crassa)	4 / 6	CYH C 315 LEU C 59 CYH C 255 HIS C 246	None None None EXA C 247 ( 4.1A)	1.13A	5hpuC-5v12C: undetectable 5hpuD-5v12C: undetectable	5hpuC-5v12C: undetectable 5hpuD-5v12C: undetectable

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1P93_D_DEXD4999_2","GLUCOCORTICOID RECEPTOR","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",4,"LEU C  43;TRP C 248;MET C 337;LEU C 340","None;EXA C 247 ( 3.9A);None;None","1.28A","1p93D-5v12C:undetectable",null],["4EIL_A_FOLA703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.45A","4eilA-5v12C:2.9","1p93D-5v12C:13.31"],["4KYA_A_FOLA703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.45A","4kyaA-5v12C:2.9","4eilA-5v12C:undetectable"],["4KYA_D_FOLD703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.47A","4kyaD-5v12C:undetectable","4kyaA-5v12C:undetectable"],["4KYA_E_FOLE703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.44A","4kyaE-5v12C:undetectable","4kyaD-5v12C:undetectable"],["4KYA_F_FOLF703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.45A","4kyaF-5v12C:undetectable","4kyaE-5v12C:undetectable"],["4KYA_G_FOLG703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.42A","4kyaG-5v12C:2.4","4kyaF-5v12C:undetectable"],["4KYA_H_FOLH703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"ALA C 106;SER C  47;MET C 228;ARG C 438;THR C 107","EXA C 247 ( 3.5A);FMT C 501 (-3.2A);None;FMT C 501 (-3.2A);EXA C 247 ( 3.5A)","1.48A","4kyaH-5v12C:undetectable","4kyaG-5v12C:undetectable"],["4MM4_A_8PRA603_1","TRANSPORTER","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",5,"VAL C 190;ALA C 189;TYR C 129;SER C 154;ASP C 221","None;None;None;None;EXA C 247 ( 3.0A)","1.27A","4mm4A-5v12C:undetectable","4kyaH-5v12C:undetectable"],["5HPU_C_IPHC101_0","INSULIN, CHAIN A;INSULIN, CHAIN B","5v12","HERCYNYLCYSTEINE SULFOXIDE LYASE","Neurospora crassa",4,"CYH C 315;LEU C  59;CYH C 255;HIS C 246","None;None;None;EXA C 247 ( 4.1A)","1.13A","5hpuC-5v12C:undetectable;5hpuD-5v12C:undetectable","4mm4A-5v12C:10.21"]]