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MolNFT v1 · #114628 · protein

Crystal structure of lipomyces starkeyi levoglucosan kinase bound to ADP, magnesium and levoglucosan in an alternate orientation.

5BVC: “Crystal structure of lipomyces starkeyi levoglucosan kinase bound to ADP, magnesium and levoglucosan in an…”. X-ray diffraction, 3 ligands (ADP, 4PW, MG), 6 pockets (best druggability 0.76). MolNFT v1 #114628 on GenesisL1: 3D…

PDB
5BVC
Type
protein
Length
433 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Levoglucosan kinase
EC
2.7.-.-
UniProt
B3VI55
Ligands
ADP, 4PW, MG
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALevoglucosan kinase (EC 2.7.-.-)protein43340% helix, 22% strandB3VI55

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • 4PW · Levoglucosan · ligand · chains A
  • MG · Magnesium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16230.760.8271ADP, 4PW, MG
2540.720.9923empty
3750.380.7717empty
4610.360.7913empty
5580.320.7614empty

Compared structures

  • 5BVC · Crystal structure of Lipomyces starkeyi levoglucosan kinase bound to ADP, magnesium and… · the same entry in another collection · chain A against A, TM-score 1.00

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