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MolNFT v1 · #55542 · protein

Wzi, an outer membrane protein involved in group 1 capsule assembly in escherichia COLI, is a carbohydrate binding beta-barrel

2YNK: “Wzi, an outer membrane protein involved in group 1 capsule assembly in escherichia COLI, is a carbohydrate…”. X-ray diffraction, 1 ligand (D12), 4 pockets (best druggability 0.87). MolNFT v1 #55542 on GenesisL1: 3D structure…

PDB
2YNK
Type
protein
Length
441 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wzi
UniProt
Q8GNN6
Ligands
D12
Pockets
4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWziprotein44111% helix, 48% strandQ8GNN6

Ligands and binding sites

  • D12 · Dodecane · ligand · 7 copies · chains A
  • OCT · N-octane · additive · 6 copies · chains A
  • HEX · Hexane · additive · 5 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17720.870.9066empty
21040.690.9227empty
31400.630.8636empty
4590.460.8415empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 2YNK · Wzi, an Outer Membrane Protein Involved in Group 1 Capsule Assembly in Escherichia coli… · the same entry in another collection · chain A against A, TM-score 1.00

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