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MolNFT v1 · #17581 · protein

The crystal structure of semet patatin

1OXW: “The crystal structure of semet patatin”. X-ray diffraction, 13 pockets (best druggability 0.74). MolNFT v1 #17581 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OXW
Type
protein
Length
1,081 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Patatin
UniProt
Q8LPW4
Pockets
13 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APatatinprotein36048% helix, 16% strandQ8LPW4
BPatatinprotein35948% helix, 17% strandQ8LPW4
CPatatinprotein36249% helix, 17% strandQ8LPW4

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19980.740.7785empty
24640.600.7551empty
31350.580.8438empty
41370.580.8338empty
52500.560.7729empty

Interfaces

3 interfaces between chains.

  • B–C · 364 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 216 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 62 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 34 modified (engineered).

Compared structures

  • 1OXW · The Crystal Structure of SeMet Patatin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8LPW4 · AlphaFold monomer V2.0 prediction for patatin-17 (Q8LPW4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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