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MolNFT v1 · #19764 · protein

The 1.65 ångström structure of calmodulin RS20 peptide complex

1QTX · Protein (calmodulin): “The 1.65 ångström structure of calmodulin RS20 peptide complex”. X-ray diffraction, 2 ligands (CA, NH2), 3 pockets (best druggability 0.41). MolNFT v1 #19764 on GenesisL1: 3D structure, binding sites and…

PDB
1QTX
Type
protein
Length
168 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (calmodulin); Protein (RS20)
UniProt
P11799
Ligands
CA, NH2
Pockets
3 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (calmodulin)protein14857% helix, 5% strand—
BProtein (RS20)protein2080% helix, 0% strandP11799

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A
  • NH2 · Amino group · ion · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.410.7520empty
2910.410.7822empty
3500.290.7615empty

Interfaces

1 interface between chains.

  • A–B · 1618 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 1QTX · The 1.65 ångström structure of calmodulin RS20 peptide complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P11799 · AlphaFold monomer V2.0 prediction for myosin light chain kinase, smooth muscle (P11799) · a predicted model of the same protein · chain B against A, TM-score 0.61

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