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Structure of the shwanavidin-biotin complex

Analyse Structure of the shwanavidin-biotin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SZJ
Type
protein
Length
239 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AVIDIN/STREPTAVIDIN
UniProt
Q12QS6
Ligands
BTN, CO3
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 62% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAVIDIN/STREPTAVIDINprotein1203% helix, 61% strandQ12QS6
BAVIDIN/STREPTAVIDINprotein1193% helix, 63% strandQ12QS6

Ligands and binding sites

  • BTN · Biotin · ligand · 2 copies · chains A, B
  • CO3 · Carbonate ion · ion · chains A, B
  • ACY · Acetic acid · additive · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.610.8818BTN
2920.580.8618BTN

Interfaces

1 interface between chains.

  • A–B · 1735 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3SZJ · Structure of the shwanavidin-biotin complex · the same entry in another collection · chain A against A, TM-score 1.00

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