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MolNFT v1 · #91517 · protein

Pylc in complex with L-lysine-ne-D-ornithine (cocrystallized with L- lysine-ne-D-ornithine)

4FFM: “Pylc in complex with L-lysine-ne-D-ornithine (cocrystallized with L- lysine-ne-D-ornithine)”. X-ray diffraction, 4 ligands (0TF, ADP, ATP), 1 pocket (best druggability 0.72). MolNFT v1 #91517 on GenesisL1: 3D structure, binding…

PDB
4FFM
Type
protein
Length
344 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pylc
UniProt
Q46E79
Ligands
0TF, ADP, ATP, MG
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APylcprotein34431% helix, 32% strandQ46E79

Ligands and binding sites

  • 0TF · N~6~-D-ornithyl-L-lysine · ligand · chains A
  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 2 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
15990.720.80610TF, ADP, MG, ATP

Compared structures

  • 4FFM · PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine) · the same entry in another collection · chain A against A, TM-score 1.00

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