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MolNFT v1 · #187122 · protein

Crystal structure of the NA+/H+ antiporter nhaa at pH 6.5

7S24 · NA(+)/H(+) antiporter nhaa: “Crystal structure of the NA+/H+ antiporter nhaa at pH 6.5”. X-ray diffraction, 7 pockets (best druggability 0.65). MolNFT v1 #187122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7S24
Type
protein
Length
375 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+)/H(+) antiporter nhaa
UniProt
Q53YW7
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANA(+)/H(+) antiporter nhaaprotein37575% helix, 2% strandQ53YW7

Ligands and binding sites

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A
  • 1PE · Pentaethylene glycol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11720.650.8523empty
21360.530.8122empty
3940.410.7820empty
4810.410.7814empty
51150.400.7425empty

Compared structures

  • 7S24 · Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5 · the same entry in another collection · chain A against A, TM-score 1.00

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