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Complex structure of ulvan lyase from nonlaben ulvanivorans- NLR48

Analyse Complex structure of ulvan lyase from nonlaben ulvanivorans- NLR48 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D3U
Type
protein
Length
520 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ulvan lyase
UniProt
A0A084JZF2
Ligands
83Y, GCD, BDP, CA, PO4
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUlvan lyaseprotein2605% helix, 50% strandA0A084JZF2

Ligands and binding sites

  • 83Y · 3-O-sulfo-alpha-L-rhamnopyranose · ligand · 4 copies · chains A, B
  • GCD · 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid · ligand · 2 copies
  • BDP · beta-D-glucopyranuronic acid · sugar · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110930.770.8010183Y, PO4, EDO
2800.550.8620empty

Interfaces

1 interface between chains.

  • A–B · 664 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6D3U · Complex structure of Ulvan lyase from Nonlaben Ulvanivorans- NLR48 · the same entry in another collection · chain A against A, TM-score 1.00

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