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MolNFT v1 · #46710 · protein

The crystal structure of the first PDZ domain of human nherf-2 (SLC9A3R2)

2OCS · NA(+)/H(+) exchange regulatory cofactor nhe-RF2: “The crystal structure of the first PDZ domain of human nherf-2 (SLC9A3R2)”. X-ray diffraction, 1 ligand (SCN), 1 pocket (best druggability 0.29). MolNFT v1 #46710 on GenesisL1: 3D…

PDB
2OCS
Type
protein
Length
85 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+)/H(+) exchange regulatory cofactor nhe-RF2
UniProt
Q15599
Ligands
SCN
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANA(+)/H(+) exchange regulatory cofactor nhe-RF2protein8515% helix, 39% strandQ15599

Ligands and binding sites

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.290.7414empty

Compared structures

  • 2OCS · The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) · 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 0.92

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