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MECP2 mbd domain (A140V) in complex with methylated DNA

Analyse MECP2 mbd domain (A140V) in complex with methylated DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BT2
Type
protein + DNA
Length
111 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-cpg-binding protein 2; DNA (5'-D(*TP*CP*TP*GP*GP*AP*AP*(5CM)…
UniProt
P51608
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-cpg-binding protein 2protein7118% helix, 20% strandP51608
BDNA (5'-D(*TP*CP*TP*GP*GP*AP*AP*(5CM) P*GP*GP*AP*AP*TP*TP*CP*TP*TP*CP*TP*A)-3')dna20——
CDNA (5'-D(*AP*TP*AP*GP*AP*AP*GP*AP*AP*TP*TP*CP*(5CM) P*GP*TP*TP*CP*CP*AP*G)-3')dna20——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12550.580.7941empty
21660.480.7720empty

Interfaces

3 interfaces between chains.

  • B–C · 865 Ų buried · 73 hydrogen bonds · nucleic-nucleic
  • A–B · 373 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–C · 344 Ų buried · 5 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • P51608 · AlphaFold monomer V2.0 prediction for methyl-cpg-binding protein 2 (P51608) · a predicted model of the same protein · chain A against A, TM-score 0.91

Analyse

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