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MolNFT v1 · #43081 · protein

Solution NMR structure of myristoylated NCS1P in apo form

2L2E · Calcium-binding protein ncs-1: “Solution NMR structure of myristoylated NCS1P in apo form”. Solution nmr, 1 ligand (MYR), 2 pockets (best druggability 0.81). MolNFT v1 #43081 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2L2E
Type
protein
Length
189 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-binding protein ncs-1
UniProt
Q09711
Ligands
MYR
Pockets
2 · best druggability 0.81

Structure

solution nmr · 1 distinct chain · 59% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium-binding protein ncs-1protein18959% helix, 3% strandQ09711

Ligands and binding sites

  • MYR · Myristic acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19680.810.8286MYR
2780.700.9424empty

Modifications

Observed in the structure: 1 lipid (myristoylation).

Compared structures

  • 2L2E · Solution NMR structure of myristoylated NCS1p in apo form · the same entry in another collection · chain A against A, TM-score 1.00
  • Q09711 · AlphaFold monomer V2.0 prediction for calcium-binding protein ncs-1 (Q09711) · a predicted model of the same protein · chain A against A, TM-score 0.48

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