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MolNFT v1 · #144616 · protein + DNA

MEF2 chimera D83V MUTANT/DNA complex

6BZ1: “MEF2 chimera D83V MUTANT/DNA complex”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #144616 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6BZ1
Type
protein + DNA
Length
408 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
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 6 distinct chains · 41% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CMEF2 chimeraprotein9040% helix, 18% strandQ02078, Q02080
DMEF2 chimeraprotein8741% helix, 18% strandQ02078, Q02080
GDNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3')dna14——
H, FDNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)- 3')dna13——
A, BMEF2 chimeraprotein8940% helix, 17% strandQ02078, Q02080
EDNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3')dna13——

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16150.720.8050empty
23120.580.7733empty
3560.500.8718empty
4940.340.7413empty

Interfaces

20 interfaces between chains.

  • C–D · 2810 Ų buried · 45 hydrogen bonds · protein-protein
  • A–B · 2719 Ų buried · 41 hydrogen bonds · protein-protein
  • G–H · 577 Ų buried · 47 hydrogen bonds · nucleic-nucleic
  • E–F · 574 Ų buried · 58 hydrogen bonds · nucleic-nucleic
  • C–G · 534 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 6BZ1 · MEF2 Chimera D83V mutant/DNA complex · the same entry in another collection · chain F against F, TM-score 1.00
  • Q02080 · AlphaFold monomer V2.0 prediction for myocyte-specific enhancer factor 2B (Q02080) · a predicted model of the same protein · chain D against A, TM-score 0.88
  • Q02078 · AlphaFold monomer V2.0 prediction for myocyte-specific enhancer factor 2A (Q02078) · a predicted model of the same protein · chain D against A, TM-score 0.87

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