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MolNFT v1 · #32217 · protein

X-ray structure of human TPC6

2BJN · Trafficking protein particle complex subunit 6B: “X-ray structure of human TPC6”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.64). MolNFT v1 #32217 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BJN
Type
protein
Length
289 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trafficking protein particle complex subunit 6B
UniProt
Q86SZ2
Ligands
SO4
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrafficking protein particle complex subunit 6Bprotein14150% helix, 18% strandQ86SZ2
BTrafficking protein particle complex subunit 6Bprotein14851% helix, 16% strandQ86SZ2

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 5 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.640.9322empty
21800.620.8426SO4

Interfaces

1 interface between chains.

  • A–B · 1262 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 2BJN · X-ray Structure of human TPC6 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86SZ2 · AlphaFold monomer V2.0 prediction for trafficking protein particle complex subunit 6B… · a predicted model of the same protein · chain A against A, TM-score 0.91

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