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Crystal structure of the clp gene regulator clgr from corynebacterium glutamicum

Analyse Crystal structure of the clp gene regulator clgr from corynebacterium glutamicum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3F51
Type
protein
Length
557 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Clp gene regulator (clgr)
UniProt
Q8NP59
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 6 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AClp gene regulator (clgr)protein9474% helix, 0% strandQ8NP59
BClp gene regulator (clgr)protein9373% helix, 0% strandQ8NP59
CClp gene regulator (clgr)protein9079% helix, 0% strandQ8NP59
DClp gene regulator (clgr)protein9375% helix, 0% strandQ8NP59
EClp gene regulator (clgr)protein9473% helix, 0% strandQ8NP59
FClp gene regulator (clgr)protein9375% helix, 0% strandQ8NP59

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains B, C, D, F, A, E
  • ACT · Acetate ion · additive · chains A

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
17550.720.7868empty
25550.660.7756empty
31620.410.7323empty

Interfaces

10 interfaces between chains.

  • D–F · 858 Ų buried · 20 hydrogen bonds · protein-protein
  • A–E · 835 Ų buried · 21 hydrogen bonds · protein-protein
  • B–C · 759 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 597 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 546 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3F51 · Crystal Structure of the clp gene regulator ClgR from Corynebacterium glutamicum · the same entry in another collection · chain A against A, TM-score 1.00

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