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1.55 ångström crystal structure of the four helical bundle membrane localization domain (4HBM) of the vibrio vulnificus martx effector domain DUF5

Analyse 1.55 ångström crystal structure of the four helical bundle membrane… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ERR
Type
protein
Length
165 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Autotransporter adhesin
UniProt
Q8D6P9
Ligands
BR, CL
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAutotransporter adhesinprotein8284% helix, 0% strandQ8D6P9
BAutotransporter adhesinprotein8382% helix, 0% strandQ8D6P9

Ligands and binding sites

  • BR · Bromide ion · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, 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
11460.450.7627BR, CL

Interfaces

1 interface between chains.

  • A–B · 1647 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4ERR · 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain… · the same entry in another collection · chain A against A, TM-score 1.00

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