SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PDC'

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.	1ICU_D_NIOD223_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	5tem	4-HYDROXY-TETRAHYDRO DIPICOLINATE REDUCTASE (Vibrio vulnificus)	4 / 5	PHE C 239 GLY C 214 SER C 164 THR C 166	NAD C1001 ( 4.0A) None PDC C1002 (-4.2A) PDC C1002 (-3.7A)	1.38A	1icuC-5temC: undetectable 1icuD-5temC: undetectable	1icuC-5temC: 24.38 1icuD-5temC: 24.38
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.	1ICV_B_NIOB702_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	5tem	4-HYDROXY-TETRAHYDRO DIPICOLINATE REDUCTASE (Vibrio vulnificus)	4 / 5	PHE C 239 GLY C 214 SER C 164 THR C 166	NAD C1001 ( 4.0A) None PDC C1002 (-4.2A) PDC C1002 (-3.7A)	1.31A	1icvA-5temC: undetectable 1icvB-5temC: undetectable	1icvA-5temC: 24.38 1icvB-5temC: 24.38
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.	3LJG_A_HAEA301_1 (MACROPHAGE METALLOELASTASE)	5tem	4-HYDROXY-TETRAHYDRO DIPICOLINATE REDUCTASE (Vibrio vulnificus)	4 / 5	ILE C 168 HIS C 216 GLU C 153 HIS C 155	None None None PDC C1002 ( 4.4A)	0.98A	3ljgA-5temC: 2.7	3ljgA-5temC: 18.89
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.	3NVC_A_SALA370_1 (GENTISATE 1,2-DIOXYGENASE)	5tem	4-HYDROXY-TETRAHYDRO DIPICOLINATE REDUCTASE (Vibrio vulnificus)	4 / 6	HIS C 216 ARG C 208 HIS C 155 ASP C 161	None None PDC C1002 ( 4.4A) NAD C1001 ( 3.9A)	1.12A	3nvcA-5temC: undetectable	3nvcA-5temC: 20.74
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.	6B58_A_ACTA609_0 (FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT)	5tjz	4-HYDROXY-TETRAHYDRO DIPICOLINATE REDUCTASE (Mycobacterium tuberculosis)	3 / 3	HIS A 135 HIS A 133 ARG A 214	None PDC A 301 (-4.0A) None	1.14A	6b58A-5tjzA: 3.3	6b58A-5tjzA: undetectable

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1ICU_D_NIOD223_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","5tem","4-HYDROXY-TETRAHYDRODIPICOLINATE REDUCTASE","Vibrio vulnificus",4,"PHE C 239;GLY C 214;SER C 164;THR C 166","NAD C1001 ( 4.0A);None;PDC C1002 (-4.2A);PDC C1002 (-3.7A)","1.38A","1icuC-5temC:undetectable;1icuD-5temC:undetectable",null],["1ICV_B_NIOB702_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","5tem","4-HYDROXY-TETRAHYDRODIPICOLINATE REDUCTASE","Vibrio vulnificus",4,"PHE C 239;GLY C 214;SER C 164;THR C 166","NAD C1001 ( 4.0A);None;PDC C1002 (-4.2A);PDC C1002 (-3.7A)","1.31A","1icvA-5temC:undetectable;1icvB-5temC:undetectable","1icuC-5temC:24.38;1icuD-5temC:24.38"],["3LJG_A_HAEA301_1","MACROPHAGE METALLOELASTASE","5tem","4-HYDROXY-TETRAHYDRODIPICOLINATE REDUCTASE","Vibrio vulnificus",4,"ILE C 168;HIS C 216;GLU C 153;HIS C 155","None;None;None;PDC C1002 ( 4.4A)","0.98A","3ljgA-5temC:2.7","1icvA-5temC:24.38;1icvB-5temC:24.38"],["3NVC_A_SALA370_1","GENTISATE 1,2-DIOXYGENASE","5tem","4-HYDROXY-TETRAHYDRODIPICOLINATE REDUCTASE","Vibrio vulnificus",4,"HIS C 216;ARG C 208;HIS C 155;ASP C 161","None;None;PDC C1002 ( 4.4A);NAD C1001 ( 3.9A)","1.12A","3nvcA-5temC:undetectable","3ljgA-5temC:18.89"],["6B58_A_ACTA609_0","FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT","5tjz","4-HYDROXY-TETRAHYDRODIPICOLINATE REDUCTASE","Mycobacterium tuberculosis",3,"HIS A 135;HIS A 133;ARG A 214","None;PDC A 301 (-4.0A);None","1.14A","6b58A-5tjzA:3.3","3nvcA-5temC:20.74"]]