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DNA mismatch repair proteins MLH1 and MLH3

Analyse DNA mismatch repair proteins MLH1 and MLH3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SHX
Type
protein
Length
482 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA mismatch repair protein MLH1; DNA mismatch repair protein MLH3
UniProt
P38920, Q12083
Ligands
ZN
Pockets
5 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA mismatch repair protein MLH1protein26051% helix, 17% strandP38920
BDNA mismatch repair protein MLH3protein22246% helix, 17% strandQ12083

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.490.7719empty
2840.400.7816empty
3590.370.7913empty
4520.290.7513empty
5520.260.7312empty

Interfaces

1 interface between chains.

  • A–B · 979 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6SHX · DNA mismatch repair proteins MLH1 and MLH3 · the same entry in another collection · chain A against A, TM-score 1.00
  • P38920 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MLH1 (P38920) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q12083 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MLH3 (Q12083) · a predicted model of the same protein · chain B against A, TM-score 0.95

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