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Crystal structure of the SAC7D-derived IGG1-binder C3-C24S

Analyse Crystal structure of the SAC7D-derived IGG1-binder C3-C24S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XIW
Type
protein
Length
131 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein 7D
UniProt
P13123
Ligands
SO4, CL
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-binding protein 7Dprotein6430% helix, 55% strandP13123
BDNA-binding protein 7Dprotein6730% helix, 52% strandP13123

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.290.7518empty

Interfaces

1 interface between chains.

  • A–B · 666 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 2XIW · Crystal structure of the Sac7d-derived IgG1-binder C3-C24S · the same entry in another collection · chain A against A, TM-score 1.00
  • P13123 · AlphaFold monomer V2.0 prediction for DNA-binding protein 7D (P13123) · a predicted model of the same protein · chain B against A, TM-score 0.94

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