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Structure of zinc induced heterodimer of two calcium free isoforms of phospholipase A2 from naja naja sagittifera at 2.7A resolution

Analyse Structure of zinc induced heterodimer of two calcium free isoforms of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XXW
Type
protein
Length
238 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2 isoform 1; Phospholipase A2 isoform 2
EC
3.1.1.4
UniProt
P60043, P60044
Ligands
ZN
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 isoform 1 (EC 3.1.1.4)protein11948% helix, 9% strandP60043
BPhospholipase A2 isoform 2 (EC 3.1.1.4)protein11947% helix, 8% strandP60044

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A, B
  • ACY · Acetic acid · additive · 2 copies · chains A, B

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
16980.790.8459ACY

Interfaces

1 interface between chains.

  • A–B · 1062 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

  • 1XXW · Structure of zinc induced heterodimer of two calcium free isoforms of phospholipase A2… · the same entry in another collection · chain A against A, TM-score 1.00
  • P60043 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 1 (P60043) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P60044 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 2 (P60044) · a predicted model of the same protein · chain B against A, TM-score 0.97

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