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Ccaat-binding complex from aspergillus fumigatus with cyca DNA

Analyse Ccaat-binding complex from aspergillus fumigatus with cyca DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Y35
Type
protein + DNA
Length
302 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ccaat-binding transcription factor subunit hapb; Ccaat-binding factor complex subunit…
UniProt
Q4X049, Q4WDM9
Ligands
SO3
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 63% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACcaat-binding transcription factor subunit hapbprotein5349% helix, 4% strandQ4X049
BCcaat-binding factor complex subunit hapcprotein9274% helix, 4% strand—
CCcaat-binding factor complex subunit hapeprotein10762% helix, 4% strandQ4WDM9
DDNA (25-mer)dna25——
EDNA (25-mer)dna25——

Ligands and binding sites

  • SO3 · Sulfite ion · ion · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16900.780.8357empty
24700.670.7931empty
31780.550.8029empty
41740.480.7624empty
51050.350.7419empty

Interfaces

10 interfaces between chains.

  • B–C · 2830 Ų buried · 23 hydrogen bonds · protein-protein
  • D–E · 1080 Ų buried · 103 hydrogen bonds · nucleic-nucleic
  • A–B · 763 Ų buried · 14 hydrogen bonds · protein-protein
  • A–E · 544 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–D · 512 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 6Y35 · CCAAT-binding complex from Aspergillus fumigatus with cycA DNA · the same entry in another collection · chain A against A, TM-score 1.00

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