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Apo-form Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482

Analyse Apo-form Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UAM
Type
protein
Length
564 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.802
Source
Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 /…
Molecule
Putative ryanodine receptor
UniProt
Q8A5J2
Pockets
7 · best druggability 0.74

Structure

x-ray diffraction · resolution 2.802 · 5 distinct chains · 47% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative ryanodine receptorprotein9347% helix, 11% strandQ8A5J2
BPutative ryanodine receptorprotein9646% helix, 10% strandQ8A5J2
CPutative ryanodine receptorprotein9249% helix, 11% strandQ8A5J2
D, FPutative ryanodine receptorprotein9448% helix, 11% strandQ8A5J2
EPutative ryanodine receptorprotein9547% helix, 11% strandQ8A5J2

Ligands and binding sites

  • CIT · Citric acid · additive · 6 copies · chains A, B, C, D, E, F
  • GOL · Glycerol · additive · 4 copies · chains A, C, D, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17370.740.7948CIT
27660.740.7948CIT
37070.730.7946CIT
41150.450.7820empty
51000.410.7714empty

Interfaces

5 interfaces between chains.

  • E–F · 2007 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 1947 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1936 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 717 Ų buried · 11 hydrogen bonds · protein-protein
  • D–F · 704 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

  • 6UAM · Apo-form dimer of Y77A mutant putative ryanodine receptor from bacteroides… · the same entry in another collection · chain A against A, TM-score 1.00

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