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MolNFT v1 · #124716 · protein

Crystal structure of the pi-bound V1 complex

5KND: “Crystal structure of the pi-bound V1 complex”. X-ray diffraction, 2 ligands (MG, PO4). MolNFT v1 #124716 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KND
Type
protein
Length
3,403 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q08636, Q08637, P43435, P43455
Ligands
MG, PO4

Structure

x-ray diffraction · 6 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein586—Q08636
B—protein592—Q08636
D, E—protein452—Q08637
F—protein455—Q08637
G—protein178—P43435
H—protein102—P43455

Ligands and binding sites

  • MG · Magnesium ion · metal · chains C
  • PO4 · Phosphate ion · ion · chains C, F
  • GOL · Glycerol · additive · 3 copies · chains C, F, G
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains F

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

Compared structures

  • 5KND · Crystal structure of the Pi-bound V1 complex · the same entry in another collection · chain H against H, TM-score 1.00
  • Q08636 · AlphaFold monomer V2.0 prediction for V-type sodium ATPase catalytic subunit a (Q08636) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • Q08637 · AlphaFold monomer V2.0 prediction for V-type sodium ATPase subunit B (Q08637) · a predicted model of the same protein · chain D against A, TM-score 0.98

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