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MolNFT v1 · #182559 · protein + DNA

Crystal structure of BAZ2A with DNA

7MWH · Bromodomain adjacent to zinc finger domain protein 2A: “Crystal structure of BAZ2A with DNA”. X-ray diffraction, 1 ligand (UNX), 3 pockets (best druggability 0.69). MolNFT v1 #182559 on GenesisL1: 3D structure, binding sites and…

PDB
7MWH
Type
protein + DNA
Length
238 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain adjacent to zinc finger domain protein 2A; DNA…
UniProt
Q9UIF9
Ligands
UNX
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBromodomain adjacent to zinc finger domain protein 2Aprotein10727% helix, 30% strandQ9UIF9
CDNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3')dna12——
DDNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3')dna12——

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 12 copies · chains A, B, D, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17200.690.7748UNX
21710.540.8022empty
31320.530.8122empty

Interfaces

6 interfaces between chains.

  • A–B · 796 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 544 Ų buried · 55 hydrogen bonds · nucleic-nucleic
  • B–C · 132 Ų buried · 1 hydrogen bond · protein-nucleic
  • A–D · 78 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–C · 64 Ų buried · 0 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 7MWH · Crystal structure of BAZ2A with DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UIF9 · AlphaFold monomer V2.0 prediction for bromodomain adjacent to zinc finger domain protein… · a predicted model of the same protein · chain B against A, TM-score 0.94

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