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MolNFT v1 · #69089 · protein

Major mouse urinary protein IV complexed with 2,5-dimethylpyrazine

3KFI · Major urinary protein 4: “Major mouse urinary protein IV complexed with 2,5-dimethylpyrazine”. X-ray diffraction, 2 ligands (25R, CL), 1 pocket (best druggability 0.74). MolNFT v1 #69089 on GenesisL1: 3D structure, binding sites and…

PDB
3KFI
Type
protein
Length
152 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major urinary protein 4
UniProt
P11590
Ligands
25R, CL
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor urinary protein 4protein15218% helix, 49% strandP11590

Ligands and binding sites

  • 25R · 2,5-dimethylpyrazine · ligand · chains A
  • CL · Chloride ion · ion · 2 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
1640.740.981725R

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3KFI · Major mouse urinary protein IV complexed with 2,5-dimethylpyrazine · the same entry in another collection · chain A against A, TM-score 1.00
  • P11590 · AlphaFold monomer V2.0 prediction for major urinary protein 4 (P11590) · a predicted model of the same protein · chain A against A, TM-score 0.99

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