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MolNFT v1 · #28193 · protein

Crystal structure of disulfide engineered porcine pancratic phospholipase A2 to group-X isozyme

1Y6P · Phospholipase A2, major isoenzyme: “Crystal structure of disulfide engineered porcine pancratic phospholipase A2 to group-X isozyme”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.65). MolNFT v1 #28193 on…

PDB
1Y6P
Type
protein
Length
262 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2, major isoenzyme
EC
3.1.1.4
UniProt
P00592
Ligands
CA, CL
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhospholipase A2, major isoenzyme (EC 3.1.1.4)protein13148% helix, 8% strandP00592

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.650.9422CA
21770.590.8124empty

Interfaces

1 interface between chains.

  • A–B · 631 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 1Y6P · Crystal structure of disulfide engineered porcine pancratic phospholipase a2 to group-x… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00592 · AlphaFold monomer V2.0 prediction for phospholipase A2, major isoenzyme (P00592) · a predicted model of the same protein · chain A against A, TM-score 0.89

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