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1.85 ångström resolution crystal structure of N-terminal domain of two-component system response regulator from acinetobacter baumannii

Analyse 1.85 ångström resolution crystal structure of N-terminal domain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VBF
Type
protein
Length
240 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Two-component regulatory system response regulator
UniProt
A0A380UY17
Ligands
CA, CL
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTwo-component regulatory system response regulatorprotein12043% helix, 20% strandA0A380UY17

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12060.520.7727empty
2520.520.8719empty
3530.440.8319empty

Interfaces

1 interface between chains.

  • A–B · 1021 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 6VBF · 1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System… · the same entry in another collection · chain A against A, TM-score 1.00

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