GL1X · GenesisL1 explorer

MolNFT v1 · #139246 · protein

Mismatch repair protein

5X9W · DNA mismatch repair protein muts: “Mismatch repair protein”. X-ray diffraction, 1 ligand (ANP), 20 pockets (best druggability 0.69). MolNFT v1 #139246 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X9W
Type
protein
Length
1,542 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA mismatch repair protein muts
UniProt
Q5F5J4
Ligands
ANP
Pockets
20 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA mismatch repair protein mutsprotein77142% helix, 19% strandQ5F5J4

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16320.690.7770empty
2920.690.9325empty
31310.670.8933empty
42610.670.8346ANP
54150.650.7939empty

Interfaces

1 interface between chains.

  • A–B · 1961 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5X9W · Mismatch Repair Protein · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5F5J4 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein muts (Q5F5J4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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