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Crystal structure of enterococcus faecalis lipoate-protein ligase a (lpla-1) in complex with lipoic acid

Analyse Crystal structure of enterococcus faecalis lipoate-protein ligase a (lpla-1) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5IJ6
Type: protein
Length: 322 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lipoate--protein ligase
EC: 2.7.7.63
UniProt: Q838C1
Ligands: LPA, SO4, CL
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lipoate--protein ligase (EC 2.7.7.63)	protein	322	36% helix, 28% strand	Q838C1

Ligands and binding sites

LPA · Lipoic acid · ligand · chains A
SO4 · Sulfate ion · ion · chains A
CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	286	0.66	0.82	55	LPA
2	188	0.53	0.79	24	empty
3	50	0.34	0.78	16	empty

Compared structures

5IJ6 · Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q838C1
Elsewhere: RCSB PDB 5IJ6 · PDBe 5IJ6 · UniProt Q838C1

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