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Crystal structure of the HIGB2 toxin in complex with NB8

Analyse Crystal structure of the HIGB2 toxin in complex with NB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MJE
Type
protein
Length
235 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytotoxic translational repressor of toxin-antitoxin stability system; Nanobody 8
UniProt
A0A085RXT0
Ligands
SO4
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytotoxic translational repressor of toxin-antitoxin stability systemprotein11131% helix, 23% strandA0A085RXT0
BNanobody 8protein1247% helix, 56% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.350.7817empty
2560.300.7512empty

Interfaces

1 interface between chains.

  • A–B · 1181 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5MJE · Crystal structure of the HigB2 toxin in complex with Nb8 · the same entry in another collection · chain A against A, TM-score 1.00

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