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MolNFT v1 · #66872 · protein

Crystal structure of the btb-back domains of human KLHL11

3I3N · Kelch-like protein 11: “Crystal structure of the btb-back domains of human KLHL11”. X-ray diffraction, 2 ligands (CL, SCN), 3 pockets (best druggability 0.52). MolNFT v1 #66872 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3I3N
Type
protein
Length
529 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kelch-like protein 11
UniProt
Q9NVR0
Ligands
CL, SCN
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKelch-like protein 11protein26259% helix, 8% strandQ9NVR0
BKelch-like protein 11protein26757% helix, 8% strandQ9NVR0

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B
  • SCN · Thiocyanate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.520.8516empty
2880.450.8016empty
3650.310.7412CL

Interfaces

1 interface between chains.

  • A–B · 2398 Ų buried · 43 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3I3N · Crystal structure of the BTB-BACK domains of human KLHL11 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NVR0 · AlphaFold monomer V2.0 prediction for kelch-like protein 11 (Q9NVR0) · a predicted model of the same protein · chain A against A, TM-score 0.95

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