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MolNFT v1 · #107968 · protein

The X-ray structure of calcium bound human sorcin

4USL: “The X-ray structure of calcium bound human sorcin”. X-ray diffraction, 2 ligands (CA, SO4), 1 pocket (best druggability 0.26). MolNFT v1 #107968 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4USL
Type
protein
Length
179 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sorcin
UniProt
P30626
Ligands
CA, SO4
Pockets
1 · best druggability 0.26

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ASorcinprotein17362% helix, 2% strandP30626
DSorcinprotein60% helix, 0% strandP30626

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.260.7214empty

Interfaces

1 interface between chains.

  • A–D · 426 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4USL · The X-ray structure of calcium bound human sorcin · the same entry in another collection · chain A against A, TM-score 1.00
  • P30626 · AlphaFold monomer V2.0 prediction for sorcin (P30626) · a predicted model of the same protein · chain A against A, TM-score 0.75

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