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Crystal structure of the DDB1 bpb domain

Analyse Crystal structure of the DDB1 bpb domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2B5N
Type
protein
Length
1,273 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Damage-specific DNA binding protein 1
Pockets
11 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 0% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADamage-specific DNA binding protein 1protein3120% helix, 55% strand—
BDamage-specific DNA binding protein 1protein3210% helix, 55% strand—
CDamage-specific DNA binding protein 1protein3200% helix, 54% strand—
DDamage-specific DNA binding protein 1protein3200% helix, 54% strand—

Ligands and binding sites

  • IPA · Isopropyl alcohol · additive · chains B

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17480.790.8375empty
26760.780.8357empty
37670.740.7957empty
48200.730.7858empty
55320.680.7869empty

Interfaces

3 interfaces between chains.

  • A–C · 708 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 656 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 410 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2B5N · Crystal Structure of the DDB1 BPB Domain · the same entry in another collection · chain A against A, TM-score 1.00

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