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MolNFT v1 · #11755 · protein

Crystallization and structure determination of goat lactoferrin at 4.0 resolution: a new form of packing in lactoferrins with a high solvent content in crystals

1JW1: “Crystallization and structure determination of goat lactoferrin at 4.0 resolution: a new form of packing in…”. X-ray diffraction, 1 ligand (FE), 10 pockets (best druggability 0.77). MolNFT v1 #11755 on GenesisL1: 3D structure…

PDB
1JW1
Type
protein
Length
689 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactoferrin
UniProt
Q29477
Ligands
FE
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactoferrinprotein68916% helix, 10% strandQ29477

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13020.770.8940empty
22860.750.8843empty
31820.510.7820empty
41370.480.7825empty
5810.400.7818empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 1JW1 · Crystallization and structure determination of goat lactoferrin at 4.0 resolution: A new… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q29477 · AlphaFold monomer V2.0 prediction for lactotransferrin (Q29477) · a predicted model of the same protein · chain A against A, TM-score 0.97

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