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MolNFT v1 · #179930 · protein

Crystal structure of ligand-free PLEKHA7 pH domain

7KK7 · Pleckstrin homology domain-containing family a member 7: “Crystal structure of ligand-free PLEKHA7 pH domain”. X-ray diffraction, 1 pocket (best druggability 0.57). MolNFT v1 #179930 on GenesisL1: 3D structure, binding sites and…

PDB
7KK7
Type
protein
Length
202 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pleckstrin homology domain-containing family a member 7
UniProt
Q6IQ23
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APleckstrin homology domain-containing family a member 7protein10315% helix, 43% strandQ6IQ23
BPleckstrin homology domain-containing family a member 7protein9915% helix, 43% strandQ6IQ23

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12960.570.7736empty

Interfaces

1 interface between chains.

  • A–B · 409 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 7KK7 · crystal structure of ligand-free PLEKHA7 PH domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6IQ23 · AlphaFold monomer V2.0 prediction for pleckstrin homology domain- containing family a… · a predicted model of the same protein · chain B against A, TM-score 0.96

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