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Crystal structure of activated chey fused to the C-terminal domain of chef

Analyse Crystal structure of activated chey fused to the C-terminal domain of chef in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7OD9
Type
protein
Length
422 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Response regulator receiver protein; C-terminal domain of chef from methanococcus…
UniProt
G0H061, G0H062
Ligands
BEF, MG
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BResponse regulator receiver proteinprotein12943% helix, 21% strandG0H061
AResponse regulator receiver proteinprotein12243% helix, 22% strandG0H061
CC-terminal domain of chef from methanococcus maripaludisprotein9063% helix, 13% strandG0H062
FC-terminal domain of chef from methanococcus maripaludisprotein8163% helix, 15% strandG0H062

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · 2 copies · chains B, F, A, C
  • MG · Magnesium ion · metal · 2 copies · chains B, F, 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12670.510.7428empty

Interfaces

6 interfaces between chains.

  • C–F · 2670 Ų buried · 44 hydrogen bonds · protein-protein
  • A–F · 491 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 484 Ų buried · 1 hydrogen bond · protein-protein
  • B–A · 402 Ų buried · 6 hydrogen bonds · protein-protein
  • B–F · 295 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7OD9 · Crystal structure of activated CheY fused to the C-terminal domain of CheF · the same entry in another collection · chain B against B, TM-score 1.00

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