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A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster

Analyse A high-resolution crystal structure of NocB thioesterase domain from Nocardicin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OJC
Type
protein
Length
222 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.94
Source
Nocardia uniformis subsp. tsuyamanensis
Molecule
NocB
UniProt
Q5J1Q6
Ligands
SO4
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · resolution 1.94 · 1 distinct chain · 39% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANocBprotein22239% helix, 17% strandQ5J1Q6

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12650.550.7632GOL

Compared structures

  • 6OJC · A high-resolution crystal structure of nocb thioesterase domain from nocardicin cluster · the same entry in another collection · chain A against A, TM-score 1.00

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