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MolNFT v1 · #99205 · protein

Crystal structure of methionine sulfoxide reductase U16C from clostridium oremlandii

4LWJ · Peptide methionine sulfoxide reductase msra: “Crystal structure of methionine sulfoxide reductase U16C from clostridium oremlandii”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.32). MolNFT v1 #99205 on…

PDB
4LWJ
Type
protein
Length
205 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide methionine sulfoxide reductase msra
EC
1.8.4.11
UniProt
A8MI53
Ligands
SO4
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptide methionine sulfoxide reductase msra (EC 1.8.4.11)protein20548% helix, 18% strandA8MI53

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • ACT · Acetate ion · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.320.7716empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 4LWJ · Crystal structure of methionine sulfoxide reductase U16C from clostridium oremlandii · the same entry in another collection · chain A against A, TM-score 1.00

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