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MolNFT v1 · #52467 · protein

1.4 ångström crystal structure of P.PASTORIS aquaporin, AQY1, in a closed conformation at pH 8.0

2W1P · Aquaporin PIP2-7 7: “1.4 ångström crystal structure of P.PASTORIS aquaporin, AQY1, in a closed conformation at pH 8.0”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.50). MolNFT v1 #52467 on GenesisL1: 3D…

PDB
2W1P
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aquaporin PIP2-7 7
UniProt
F2QVG4
Ligands
CL
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAquaporin PIP2-7 7protein26368% helix, 0% strandF2QVG4

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · 4 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11930.500.7729empty
2530.280.7414empty

Compared structures

  • 2W1P · 1.4 Angstrom crystal structure of P.pastoris aquaporin, Aqy1, in a closed conformation at… · the same entry in another collection · chain A against A, TM-score 1.00

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