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MolNFT v1 · #155815 · protein

Crystal structure of gelsolin G3 domain (calcium condition)

6LJF: “Crystal structure of gelsolin G3 domain (calcium condition)”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.57). MolNFT v1 #155815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6LJF
Type
protein
Length
202 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gelsolin
UniProt
P06396
Ligands
CA
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGelsolinprotein10127% helix, 30% strandP06396

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.570.7936empty

Interfaces

1 interface between chains.

  • A–B · 281 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6LJF · Crystal structure of gelsolin G3 domain (calcium condition) · the same entry in another collection · chain A against A, TM-score 1.00
  • P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain B against A, TM-score 0.86

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