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Crystal structure of recombinant bovine neurocalcin delta at 2.4 ångströms

Analyse Crystal structure of recombinant bovine neurocalcin delta at 2.4 ångströms in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BJF
Type
protein
Length
362 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurocalcin delta
UniProt
P61602
Ligands
CA
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNeurocalcin deltaprotein18159% helix, 6% strandP61602

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16980.770.8286empty
22030.580.8023empty
32070.560.7925empty
4650.300.7513empty
5680.290.7312empty

Interfaces

1 interface between chains.

  • A–B · 1234 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 1BJF · Crystal structure of recombinant bovine neurocalcin delta at 2.4 ångströms · the same entry in another collection · chain A against A, TM-score 1.00
  • P61602 · AlphaFold monomer V2.0 prediction for neurocalcin-delta (P61602) · a predicted model of the same protein · chain A against A, TM-score 0.90

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