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MolNFT v1 · #129815 · protein

PDZ domain from rat SHANK3 bound to the C terminus of cirl

5OVP · SH3 and multiple ankyrin repeat domains protein 3: “PDZ domain from rat SHANK3 bound to the C terminus of cirl”. X-ray diffraction, 1 ligand (ACE). MolNFT v1 #129815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5OVP
Type
protein
Length
102 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SH3 and multiple ankyrin repeat domains protein 3; Adhesion G protein-coupled receptor L1
UniProt
Q9JLU4, O88917
Ligands
ACE

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASH3 and multiple ankyrin repeat domains protein 3protein9615% helix, 35% strandQ9JLU4
BAdhesion G protein-coupled receptor L1protein60% helix, 67% strandO88917

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 510 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5OVP · PDZ domain from rat Shank3 bound to the C terminus of CIRL · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9JLU4 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 3… · a predicted model of the same protein · chain A against A, TM-score 0.97
  • O88917 · AlphaFold monomer V2.0 prediction for adhesion G protein-coupled receptor L1 (O88917) · a predicted model of the same protein · chain B against A, TM-score 0.89

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