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Crystal structure of the effector binding domain of a benm variant (benm R156H/T157S)

Analyse Crystal structure of the effector binding domain of a benm variant (benm… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2H9B
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hth-type transcriptional regulator benm
UniProt
O68014
Ligands
SO4, CL
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHth-type transcriptional regulator benmprotein21634% helix, 29% strandO68014
BHth-type transcriptional regulator benmprotein21735% helix, 29% strandO68014

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, B
  • CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.570.8429SO4
21110.450.7823SO4, CL
3590.280.7417empty

Interfaces

1 interface between chains.

  • A–B · 1267 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 2H9B · Crystal structure of the effector binding domain of a BenM variant (BenM R156H/T157S) · the same entry in another collection · chain A against A, TM-score 1.00
  • O68014 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator benm (O68014) · a predicted model of the same protein · chain A against A, TM-score 0.98

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