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Crystal structures of cadmium-binding acidic phospholipase A2 from the venom of agkistrodon halys pallas at 1.9 resolution (crystal grown at pH 5.9)

Analyse Crystal structures of cadmium-binding acidic phospholipase A2 from the venom of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1M8S
Type
protein
Length
124 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2
EC
3.1.1.4
UniProt
P14418
Ligands
CD
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 (EC 3.1.1.4)protein12447% helix, 9% strandP14418

Ligands and binding sites

  • CD · Cadmium ion · metal · chains A
  • BU1 · 1,4-butanediol · additive · 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
11720.560.8021BU1

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 1M8S · Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P14418 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 (P14418) · a predicted model of the same protein · chain A against A, TM-score 0.99

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