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Crystal structure of aqpz H174G,T183F

Analyse Crystal structure of aqpz H174G,T183F in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NKA
Type
protein
Length
463 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aquaporin Z
UniProt
P60844
Pockets
5 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAquaporin Zprotein23075% helix, 0% strandP60844
BAquaporin Zprotein23374% helix, 0% strandP60844

Ligands and binding sites

  • BOG · octyl beta-D-glucopyranoside · additive · 4 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.450.7730empty
21140.450.7823GOL
31180.420.7626empty
4980.400.7622GOL
5730.280.7214empty

Interfaces

1 interface between chains.

  • A–B · 135 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3NKA · Crystal structure of AqpZ H174G,T183F · the same entry in another collection · chain A against A, TM-score 1.00
  • P60844 · AlphaFold monomer V2.0 prediction for aquaporin Z (P60844) · a predicted model of the same protein · chain A against A, TM-score 0.99

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