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MolNFT v1 · #31923 · protein

Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2

2BAX: “Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2”. X-ray diffraction, 2 ligands (CA, CL), 1 pocket (best druggability 0.57). MolNFT v1 #31923 on GenesisL1: 3D structure, binding sites…

PDB
2BAX
Type
protein
Length
123 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2
EC
3.1.1.4
UniProt
P00593
Ligands
CA, CL
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 (EC 3.1.1.4)protein12349% helix, 9% strandP00593

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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
1990.570.8517MRD

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 2BAX · Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00593 · AlphaFold monomer V2.0 prediction for phospholipase A2 (P00593) · a predicted model of the same protein · chain A against A, TM-score 0.97

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