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Ccaat-binding complex from aspergillus nidulans with DNA

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

PDB
4G92
Type
protein + DNA
Length
320 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hapb protein; Transcription factor hapc (eurofung); Hape; DNA
UniProt
P87249, Q5B5Z6, Q5AYY8
Ligands
SO4
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 61% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHapb proteinprotein6143% helix, 3% strandP87249
BTranscription factor hapc (eurofung)protein9273% helix, 4% strandQ5B5Z6
CHapeprotein11761% helix, 3% strandQ5AYY8
DDNAdna25——
EDNAdna25——

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains B, E, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19970.780.8082empty
26970.680.7641SO4
31500.570.8326empty
41150.410.7611SO4
51080.390.7517empty

Interfaces

10 interfaces between chains.

  • B–C · 2977 Ų buried · 28 hydrogen bonds · protein-protein
  • D–E · 1055 Ų buried · 91 hydrogen bonds · nucleic-nucleic
  • A–B · 872 Ų buried · 17 hydrogen bonds · protein-protein
  • A–E · 572 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–D · 521 Ų buried · 16 hydrogen bonds · protein-nucleic

Compared structures

  • 4G92 · CCAAT-binding complex from Aspergillus nidulans with DNA · the same entry in another collection · chain A against A, TM-score 1.00

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