MolNFT v1 · #134959 · protein

Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-RAY/NEUTRON refinement

5TKI · Lytic polysaccharide monooxygenase: “Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-RAY/NEUTRON refinement”. X-ray diffraction; neutron diffraction, 2 ligands (NAG, CU), 2 pockets (best druggability 0.51).…

PDB: 5TKI
Type: protein
Length: 446 residues
Chains: 2
Method: x-ray diffraction; neutron diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lytic polysaccharide monooxygenase
UniProt: Q8WZQ2
Ligands: NAG, CU
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction; neutron diffraction · 1 distinct chain · 6% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lytic polysaccharide monooxygenase	protein	223	6% helix, 35% strand	Q8WZQ2

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
CU · Copper (II) ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	139	0.51	0.80	18	empty
2	128	0.49	0.79	17	empty

Interfaces

1 interface between chains.

A–B · 901 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8WZQ2
Elsewhere: RCSB PDB 5TKI · PDBe 5TKI · UniProt Q8WZQ2

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