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MolNFT v1 · #42178 · protein

NMR structure of the MDVL1 PDZ domain in complex with its inhibitor

2KAW · Segment polarity protein dishevelled homolog dvl-1: “NMR structure of the MDVL1 PDZ domain in complex with its inhibitor”. Solution nmr, 1 ligand (SUZ). MolNFT v1 #42178 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2KAW
Type
protein
Length
90 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Segment polarity protein dishevelled homolog dvl-1
UniProt
P51141
Ligands
SUZ

Structure

solution nmr · 1 distinct chain · 13% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASegment polarity protein dishevelled homolog dvl-1protein9013% helix, 33% strandP51141

Ligands and binding sites

  • SUZ · [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid · ligand · chains A

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

Compared structures

  • 2KAW · NMR structure of the mDvl1 PDZ domain in complex with its inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P51141 · AlphaFold monomer V2.0 prediction for segment polarity protein dishevelled homolog dvl-1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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