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MEF2 CHIMERA/DNA complex

Analyse MEF2 CHIMERA/DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BYY
Type
protein + DNA
Length
417 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MEF2 chimera; DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'); DNA…
UniProt
Q02078, Q02080
Ligands
1PG, TCE
Pockets
10 · best druggability 0.69

Structure

x-ray diffraction · 5 distinct chains · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CMEF2 chimeraprotein9148% helix, 16% strandQ02078, Q02080
DMEF2 chimeraprotein8947% helix, 17% strandQ02078, Q02080
K, EDNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3')dna14——
LDNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)- 3')dna14——
FDNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)- 3')dna13——

Ligands and binding sites

  • 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · 2 copies · chains A, B, D
  • TCE · 3,3',3''-phosphanetriyltripropanoic acid · ligand · chains F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12340.690.8542empty
22400.520.7627empty
31980.480.7527empty
41010.480.8121empty
5850.480.8222empty

Interfaces

15 interfaces between chains.

  • C–D · 3168 Ų buried · 50 hydrogen bonds · protein-protein
  • A–B · 3157 Ų buried · 39 hydrogen bonds · protein-protein
  • K–L · 619 Ų buried · 51 hydrogen bonds · nucleic-nucleic
  • E–F · 591 Ų buried · 44 hydrogen bonds · nucleic-nucleic
  • A–L · 518 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 6BYY · MEF2 CHIMERA/DNA Complex · the same entry in another collection · chain F against F, TM-score 1.00
  • Q02078 · AlphaFold monomer V2.0 prediction for myocyte-specific enhancer factor 2A (Q02078) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q02080 · AlphaFold monomer V2.0 prediction for myocyte-specific enhancer factor 2B (Q02080) · a predicted model of the same protein · chain A against A, TM-score 0.95

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