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Streptococcus pneumoniae phosphomevalonate kinase in complex with phosphomevalonate and amppnp

Analyse Streptococcus pneumoniae phosphomevalonate kinase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GON
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphomevalonate kinase
EC
2.7.4.2
UniProt
Q8DR49
Ligands
PMV, ANP, MG
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphomevalonate kinase (EC 2.7.4.2)protein32943% helix, 23% strandQ8DR49

Ligands and binding sites

  • PMV · (3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid · ligand · chains A
  • ANP · Phosphoaminophosphonic acid-adenylate ester · 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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14640.750.8451PMV, ANP, MG

Compared structures

  • 3GON · Streptococcus pneumoniae Phosphomevalonate Kinase in Complex with Phosphomevalonate and… · the same entry in another collection · chain A against A, TM-score 1.00

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