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MolNFT v1 · #173798 · protein

Crystal structure of lugdulysin E242Q Y315F mutant

7BB9: “Crystal structure of lugdulysin E242Q Y315F mutant”. X-ray diffraction, 2 ligands (CA, ZN), 4 pockets (best druggability 0.49). MolNFT v1 #173798 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7BB9
Type
protein
Length
399 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lugdulysin E242Q Y315F
UniProt
A0A292DHH8
Ligands
CA, ZN
Pockets
4 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALugdulysin E242Q Y315Fprotein39936% helix, 18% strandA0A292DHH8

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A
  • ZN · Zinc ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.490.8120empty
2890.430.7918empty
3580.350.7918empty
4610.290.7417empty

Compared structures

  • 7BB9 · Crystal structure of Lugdulysin E242Q Y315F mutant · the same entry in another collection · chain A against A, TM-score 1.00

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