Crystal structure of an enolase (mandelate racemase subgroup, target efi-502087) from agrobacterium tumefaciens, with bound mg and D- ribonohydroxamate, ordered loop

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Ligands and binding sites

• 0YR · (2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide · ligand · 16 copies · chains A, D, B, G, C, M, E, H, F, K, I, L, N, J, P, O
• MG · Magnesium ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, K, L, M, N, P, J, O
• CA · Calcium ion · metal · 10 copies · chains A, B, C, D, F, E, G, H, I, K, L, M, N, P, J, O
• CL · Chloride ion · ion · 49 copies · chains A, D, B, G, C, M, E, H, F, K, I, L, N, J, P, O
• GOL · Glycerol · additive · 44 copies · chains A, F, D, B, E, C, G, L, M, I, H, K, N, P, J, O

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

31 interfaces between chains.

• B–G · 2031 Ų buried · 22 hydrogen bonds · protein-protein
• C–M · 2022 Ų buried · 24 hydrogen bonds · protein-protein
• A–D · 2008 Ų buried · 23 hydrogen bonds · protein-protein
• F–K · 2004 Ų buried · 23 hydrogen bonds · protein-protein
• E–H · 2002 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

• 4H19 · Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q7CU39
• Elsewhere: RCSB PDB 4H19 · PDBe 4H19 · UniProt Q7CU39