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MolNFT v1 · #175220 · protein

Crystal structure of a periplasmic sensor domain of histidine kinase vbrk

7CJR: “Crystal structure of a periplasmic sensor domain of histidine kinase vbrk”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.33). MolNFT v1 #175220 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7CJR
Type
protein
Length
214 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histidine kinase
EC
2.7.13.3
UniProt
A0A0L8SC43
Ligands
CL
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistidine kinase (EC 2.7.13.3)protein21450% helix, 15% strandA0A0L8SC43

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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
1570.330.7714empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7CJR · Crystal structure of a periplasmic sensor domain of histidine kinase VbrK · the same entry in another collection · chain A against A, TM-score 1.00

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