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MolNFT v1 · #69218 · protein

Crystal structure of reduced homo sapiens CLIC3

3KJY · Chloride intracellular channel protein 3: “Crystal structure of reduced homo sapiens CLIC3”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.70). MolNFT v1 #69218 on GenesisL1: 3D structure, binding sites and…

PDB
3KJY
Type
protein
Length
443 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chloride intracellular channel protein 3
UniProt
O95833
Ligands
SO4
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloride intracellular channel protein 3protein22350% helix, 11% strandO95833
BChloride intracellular channel protein 3protein22050% helix, 11% strandO95833

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14880.700.8045SO4
25170.700.8049SO4
31960.470.7517empty

Interfaces

1 interface between chains.

  • A–B · 1194 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 3KJY · Crystal structure of reduced HOMO SAPIENS CLIC3 · the same entry in another collection · chain A against A, TM-score 1.00
  • O95833 · AlphaFold monomer V2.0 prediction for chloride intracellular channel protein 3 (O95833) · a predicted model of the same protein · chain B against A, TM-score 0.96

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