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Diamond-shaped octameric ring structure of an rck domain with NADH bound

Analyse Diamond-shaped octameric ring structure of an rck domain with NADH bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2HMT
Type
protein
Length
274 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yuaa protein
UniProt
O32080
Ligands
NAI
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYuaa proteinprotein13947% helix, 17% strandO32080
BYuaa proteinprotein13549% helix, 18% strandO32080

Ligands and binding sites

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.380.7724NAI
2810.360.7626NAI

Interfaces

1 interface between chains.

  • A–B · 1702 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 2HMT · Diamond-shaped octameric ring structure of an RCK domain with NADH bound · the same entry in another collection · chain A against A, TM-score 1.00
  • O32080 · AlphaFold monomer V2.0 prediction for ktr system potassium uptake protein a (O32080) · a predicted model of the same protein · chain B against A, TM-score 0.94

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