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Resistance to inhibitors of cholinesterase 8A (RIC8A) protein in complex with mbp-tagged transducin-alpha residues 327-350

Analyse Resistance to inhibitors of cholinesterase 8A (RIC8A) protein in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N85
Type
protein
Length
796 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Synembryn-a; MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,GUANINE nucleotide-binding…
UniProt
Q5E9J8, P0AEY0, P19087
Ligands
GLC
Pockets
8 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BSynembryn-aprotein40372% helix, 1% strandQ5E9J8
MMALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,GUANINE nucleotide-binding protein G(T) subunit alpha-2protein39345% helix, 20% strandP0AEY0, P19087

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains M

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19210.710.7681empty
26190.700.7853GLC
32640.530.7534empty
4600.510.8616empty
51170.480.8019empty

Interfaces

1 interface between chains.

  • B–M · 1466 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6N85 · Resistance to inhibitors of cholinesterase 8A (Ric8A) protein in complex with MBP-tagged… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q5E9J8 · AlphaFold monomer V2.0 prediction for synembryn-a (Q5E9J8) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P19087 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(T) subunit… · a predicted model of the same protein · chain M against A, TM-score 0.26

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