GL1X · GenesisL1 explorer

MolNFT v1 · #104690 · protein

Lytic polysaccharide monooxygenase 9F from neurospora crassa, NCLPMO9F

4QI8: “Lytic polysaccharide monooxygenase 9F from neurospora crassa, NCLPMO9F”. X-ray diffraction, 2 ligands (CU, NO3), 1 pocket (best druggability 0.44). MolNFT v1 #104690 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4QI8
Type
protein
Length
428 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lytic polysaccharide monooxygenase
UniProt
Q873G1
Ligands
CU, NO3
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLytic polysaccharide monooxygenaseprotein2145% helix, 32% strandQ873G1

Ligands and binding sites

  • CU · Copper (II) ion · metal · 2 copies · chains A, B
  • NO3 · Nitrate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11410.440.7636NO3

Interfaces

1 interface between chains.

  • A–B · 611 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4QI8 · Lytic polysaccharide monooxygenase 9F from Neurospora crassa, NcLPMO9F · the same entry in another collection · chain A against A, TM-score 1.00

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