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MolNFT v1 · #176166 · protein

Crystal structures of NA+,K+-ATPase in complex with bufalin

7DDL: “Crystal structures of NA+,K+-ATPase in complex with bufalin”. X-ray diffraction, 6 ligands (PCW, CLR, BUF). MolNFT v1 #176166 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DDL
Type
protein
Length
2,632 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P05024, P05027, Q58K79
Ligands
PCW, CLR, BUF, NAG, MG, NA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein996—P05024
B—protein291—P05027
G, E—protein32—Q58K79
D—protein285—P05027

Ligands and binding sites

  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 11 copies · chains A, B, C, D, E, G
  • CLR · Cholesterol · ligand · 6 copies · chains A, B, C, G, D, E
  • BUF · bufalin · ligand · 2 copies · chains A, C
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains B, D
  • MG · Magnesium ion · metal · 4 copies · chains A, C
  • NA · Sodium ion · metal · 2 copies · chains A, C

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

Compared structures

  • 7DDL · Crystal structures of Na+,K+-ATPase in complex with bufalin · the same entry in another collection · chain E against E, TM-score 1.00
  • P05027 · AlphaFold monomer V2.0 prediction for SODIUM/POTASSIUM-transporting ATPase subunit beta-1… · a predicted model of the same protein · chain D against A, TM-score 0.98
  • P05024 · AlphaFold monomer V2.0 prediction for SODIUM/POTASSIUM-transporting ATPase subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98

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