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MolNFT v1 · #29917 · protein

Strong solute-solute dispersive interactions in a protein- ligand complex

1ZNE · Major urinary protein: “Strong solute-solute dispersive interactions in a protein- ligand complex”. X-ray diffraction, 2 ligands (HE2, CD), 1 pocket (best druggability 0.81). MolNFT v1 #29917 on GenesisL1: 3D structure, binding…

PDB
1ZNE
Type
protein
Length
157 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major urinary protein
UniProt
P11589
Ligands
HE2, CD
Pockets
1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor urinary proteinprotein15715% helix, 47% strandP11589

Ligands and binding sites

  • HE2 · Hexan-1-ol · ligand · chains A
  • CD · Cadmium ion · metal · 5 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
11220.810.9825HE2

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1ZNE · Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P11589 · AlphaFold monomer V2.0 prediction for major urinary protein 2 (P11589) · a predicted model of the same protein · chain A against A, TM-score 0.99

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