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Circular permuted streptavidin N49/G48

Analyse Circular permuted streptavidin N49/G48 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GD9
Type
protein
Length
496 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin
UniProt
P22629
Ligands
BTN, SO4
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStreptavidinprotein1208% helix, 57% strandP22629
BStreptavidinprotein13111% helix, 54% strandP22629
CStreptavidinprotein12311% helix, 57% strandP22629
DStreptavidinprotein12211% helix, 56% strandP22629

Ligands and binding sites

  • BTN · Biotin · ligand · 4 copies · chains A, D, B, C
  • SO4 · Sulfate ion · ion · 2 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14000.650.7954empty
22060.570.8032empty
31470.560.8228BTN
4930.560.8520BTN
51660.560.8029BTN

Interfaces

6 interfaces between chains.

  • C–D · 1625 Ų buried · 26 hydrogen bonds · protein-protein
  • A–B · 1585 Ų buried · 31 hydrogen bonds · protein-protein
  • A–D · 573 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 545 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 211 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4GD9 · Circular Permuted Streptavidin N49/G48 · the same entry in another collection · chain A against A, TM-score 1.00

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