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MolNFT v1 · #15224 · protein

Crystal titration experiments (AMPA co-crystals soaked in 1 um brw)

1MXZ · Glutamate receptor 2: “Crystal titration experiments (AMPA co-crystals soaked in 1 um brw)”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.80). MolNFT v1 #15224 on GenesisL1: 3D structure, binding sites and…

PDB
1MXZ
Type
protein
Length
774 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
ZN
Pockets
9 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CGlutamate receptor 2protein25838% helix, 21% strandP19491

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains A, B, C

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111440.800.81137empty
2560.730.9918empty
3520.710.9920empty
4540.710.9821empty
52530.560.7830empty

Interfaces

3 interfaces between chains.

  • A–C · 1014 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 278 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 104 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1MXZ · crystal titration experiments (AMPA co-crystals soaked in 1 uM BrW) · the same entry in another collection · chain A against A, TM-score 1.00

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