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Crystal structure of L-rhamnonate dehydratase from salmonella typhimurium

Analyse Crystal structure of L-rhamnonate dehydratase from salmonella typhimurium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2P3Z
Type
protein
Length
810 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-rhamnonate dehydratase
EC
4.2.1.90
UniProt
Q8ZNF9
Ligands
NA
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-rhamnonate dehydratase (EC 4.2.1.90)protein40538% helix, 17% strandQ8ZNF9
BL-rhamnonate dehydratase (EC 4.2.1.90)protein40535% helix, 17% strandQ8ZNF9

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1810.740.9729empty
2510.710.9918empty
31810.550.8031empty
42060.540.7832empty

Interfaces

1 interface between chains.

  • A–B · 2399 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 2P3Z · Crystal structure of L-Rhamnonate dehydratase from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZNF9 · AlphaFold monomer V2.0 prediction for L-rhamnonate dehydratase (Q8ZNF9) · a predicted model of the same protein · chain B against A, TM-score 0.99

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