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MolNFT v1 · #100973 · protein

X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium- signalling protein

4NDB: “X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium- signalling protein”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.76). MolNFT v1 #100973 on GenesisL1: 3D structure, binding sites and…

PDB
4NDB
Type
protein
Length
371 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calexcitin
UniProt
O76764
Ligands
CA
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalexcitinprotein18765% helix, 3% strandO76764
BCalexcitinprotein18465% helix, 4% strandO76764

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

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.760.9522empty
23310.620.7839empty
3610.310.7510empty

Interfaces

1 interface between chains.

  • A–B · 117 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4NDB · X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein · the same entry in another collection · chain A against A, TM-score 1.00

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