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Crystal structure of the alnumycin P phosphatase alnb

Analyse Crystal structure of the alnumycin P phosphatase alnb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EX6
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alnb
UniProt
B6SEG4
Ligands
MG, BO3
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlnbprotein21953% helix, 14% strandB6SEG4

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • BO3 · Boric acid · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.550.8723empty
2710.370.7719empty
3580.290.7513empty

Compared structures

  • 4EX6 · Crystal structure of the alnumycin P phosphatase AlnB · the same entry in another collection · chain A against A, TM-score 1.00

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