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MolNFT v1 · #113416 · protein

Neuronal calcium sensor (ncs-1)FROM rattus norvegicus

5AEQ · Neuronal calcium sensor 1: “Neuronal calcium sensor (ncs-1)FROM rattus norvegicus”. X-ray diffraction, 2 ligands (CA, NA), 5 pockets (best druggability 0.73). MolNFT v1 #113416 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5AEQ
Type
protein
Length
343 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuronal calcium sensor 1
UniProt
P62168
Ligands
CA, NA
Pockets
5 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuronal calcium sensor 1protein17263% helix, 6% strandP62168
BNeuronal calcium sensor 1protein17168% helix, 4% strandP62168

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains A, B
  • NA · Sodium ion · metal · 2 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
18830.730.7753empty
24630.620.7535empty
32560.560.7732empty
4540.290.7513empty
5530.240.7316empty

Interfaces

1 interface between chains.

  • A–B · 359 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5AEQ · Neuronal calcium sensor (NCS-1)from Rattus norvegicus · the same entry in another collection · chain A against A, TM-score 1.00
  • P62168 · AlphaFold monomer V2.0 prediction for neuronal calcium sensor 1 (P62168) · a predicted model of the same protein · chain B against A, TM-score 0.98

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