GL1X · GenesisL1 explorer

MolNFT v1 · #114883 · protein

Crystal structure of mouse ryanodine receptor 2 SPRY1 domain

5C33: “Crystal structure of mouse ryanodine receptor 2 SPRY1 domain”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.67). MolNFT v1 #114883 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5C33
Type
protein
Length
358 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ryanodine receptor 2
UniProt
E9Q401
Ligands
CL
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARyanodine receptor 2protein1806% helix, 44% strandE9Q401
BRyanodine receptor 2protein1786% helix, 46% strandE9Q401

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • IPA · Isopropyl alcohol · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.670.9522empty
2530.560.9019empty
3500.550.9019empty
4970.390.7625empty
5780.330.7421empty

Interfaces

1 interface between chains.

  • A–B · 1280 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

  • 5C33 · Crystal Structure of Mouse Ryanodine Receptor 2 SPRY1 Domain · the same entry in another collection · chain A against A, TM-score 1.00

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