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MolNFT v1 · #102910 · protein

Crystal structure of NHERF2 PDZ1 domain in complex with LPA2

4P0C · NA(+)/H(+) exchange regulatory cofactor nhe…: “Crystal structure of NHERF2 PDZ1 domain in complex with LPA2”. X-ray diffraction, 2 ligands (CL, SCN), 1 pocket (best druggability 0.32). MolNFT v1 #102910 on GenesisL1: 3D structure…

PDB
4P0C
Type
protein
Length
88 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+)/H(+) exchange regulatory cofactor nhe- RF2/LYSOPHOSPHATIDIC acid receptor 2…
UniProt
Q15599, Q9HBW0
Ligands
CL, SCN
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANA(+)/H(+) exchange regulatory cofactor nhe- RF2/LYSOPHOSPHATIDIC acid receptor 2 chimeric proteinprotein8816% helix, 38% strandQ15599, Q9HBW0

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A
  • SCN · Thiocyanate ion · ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1660.320.7515empty

Compared structures

  • 4P0C · Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15599 · AlphaFold monomer V2.0 prediction for NA(+)/H(+) exchange regulatory cofactor nhe-RF2… · a predicted model of the same protein · chain A against A, TM-score 0.91
  • Q9HBW0 · AlphaFold monomer V2.0 prediction for lysophosphatidic acid receptor 2 (Q9HBW0) · a predicted model of the same protein · chain A against A, TM-score 0.37

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