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MolNFT v1 · #158955 · protein

KIRBAC3.1 at a resolution of 2 ångströms

6O9U · Inward rectifier potassium channel KIRBAC3.1: “KIRBAC3.1 at a resolution of 2 ångströms”. X-ray diffraction, 6 ligands (TMO, PCW, Z3P), 2 pockets (best druggability 0.33). MolNFT v1 #158955 on GenesisL1: 3D structure, binding sites…

PDB
6O9U
Type
protein
Length
283 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inward rectifier potassium channel KIRBAC3.1
UniProt
D9N164
Ligands
TMO, PCW, Z3P, K, BA, CL
Pockets
2 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInward rectifier potassium channel KIRBAC3.1protein28331% helix, 32% strandD9N164

Ligands and binding sites

  • TMO · trimethylamine oxide · ligand · 3 copies · chains A
  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 2 copies · chains A
  • Z3P · 3,3',3''-phosphoryltripropanoic acid · ligand · chains A
  • K · Potassium ion · metal · 9 copies · chains A
  • BA · Barium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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
1830.330.7313empty
2520.260.7316PCW

Compared structures

  • 6O9U · KirBac3.1 at a resolution of 2 Angstroms · the same entry in another collection · chain A against A, TM-score 1.00
  • D9N164 · AlphaFold monomer V2.0 prediction for inward rectifier potassium channel KIRBAC3.1… · a predicted model of the same protein · chain A against A, TM-score 0.92

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