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X-ray structure of pal from bacillus thuringiensis

Analyse X-ray structure of pal from bacillus thuringiensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BWL
Type
protein
Length
313 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pal
EC
4.2.1.46
UniProt
Q3ESA4
Ligands
NAD, UDP, NA, CL
Pockets
1 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APal (EC 4.2.1.46)protein31344% helix, 17% strandQ3ESA4

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
  • UDP · Uridine-5'-diphosphate · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17980.840.8774NAD, UDP, CL

Compared structures

  • 6BWL · X-ray structure of Pal from Bacillus thuringiensis · the same entry in another collection · chain A against A, TM-score 1.00

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