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Structure of the het-S N-terminal domain

Analyse Structure of the het-S N-terminal domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2WVO
Type
protein
Length
444 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small S protein
UniProt
Q1K9D3
Ligands
CL
Pockets
7 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSmall S proteinprotein22271% helix, 4% strandQ1K9D3

Ligands and binding sites

  • CL · Chloride ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.630.8235empty
21030.470.8016empty
31230.470.7817empty
4580.420.8217empty
51280.420.7524CL

Interfaces

1 interface between chains.

  • A–B · 1001 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 2WVO · Structure of the HET-S N-terminal domain · the same entry in another collection · chain A against A, TM-score 1.00

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