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Refined crystal structure of calcium-bound silver hake (pi 4.2) parvalbumin at 1.65 a.

Analyse Refined crystal structure of calcium-bound silver hake (pi 4.2) parvalbumin at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BU3
Type
protein
Length
108 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-binding protein
UniProt
P56503
Ligands
ACE, CA
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium-binding proteinprotein10856% helix, 4% strandP56503

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • CA · Calcium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.360.7714empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 1BU3 · Refined crystal structure of calcium-bound silver hake (pi 4.2) parvalbumin at 1.65 a. · the same entry in another collection · chain A against A, TM-score 1.00
  • P56503 · AlphaFold monomer V2.0 prediction for parvalbumin beta (P56503) · a predicted model of the same protein · chain A against A, TM-score 0.96

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