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Crystal structure of a vinyl-4-reductase family protein (MJ_1460) from methanocaldococcus jannaschii dsm at 2.40 a resolution

Analyse Crystal structure of a vinyl-4-reductase family protein (MJ_1460) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2OSD
Type
protein
Length
150 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein MJ1460
UniProt
Q58855
Ligands
CA, ZN, CL
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein MJ1460protein15051% helix, 14% strandQ58855

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15040.640.7647EDO

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 2OSD · Crystal structure of a vinyl-4-reductase family protein (mj_1460) from methanocaldococcus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q58855 · AlphaFold monomer V2.0 prediction for uncharacterized protein MJ1460 (Q58855) · a predicted model of the same protein · chain A against A, TM-score 0.99

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