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MolNFT v1 · #154855 · protein

Crystal structure of SNX11-pxe domain in complex with PI(3,5)P2

6KOJ · Sorting nexin-11: “Crystal structure of SNX11-pxe domain in complex with PI(3,5)P2”. X-ray diffraction, 1 ligand (I35), 1 pocket (best druggability 0.63). MolNFT v1 #154855 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6KOJ
Type
protein
Length
255 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sorting nexin-11
UniProt
Q9Y5W9
Ligands
I35
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASorting nexin-11protein12743% helix, 22% strandQ9Y5W9
BSorting nexin-11protein12843% helix, 22% strandQ9Y5W9

Ligands and binding sites

  • I35 · [(2~{R})-2-butanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S}, 6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate · ligand · 2 copies · chains A, B

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
16180.630.7448I35

Interfaces

1 interface between chains.

  • A–B · 411 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6KOJ · Crystal structure of SNX11-PXe domain in complex with PI(3,5)P2 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5W9 · AlphaFold monomer V2.0 prediction for sorting nexin-11 (Q9Y5W9) · a predicted model of the same protein · chain A against A, TM-score 0.96

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