MolNFT v1 · #75268 · protein

Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose

3PL8: “Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose”. X-ray diffraction, 2 ligands (FAD, G3F), 6 pockets (best druggability 0.89). MolNFT v1 #75268 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3PL8
Type: protein
Length: 573 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyranose 2-oxidase
EC: 1.1.3.10
UniProt: Q7ZA32
Ligands: FAD, G3F
Pockets: 6 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyranose 2-oxidase (EC 1.1.3.10)	protein	573	24% helix, 23% strand	Q7ZA32

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A
G3F · 3-deoxy-3-fluoro-beta-D-glucopyranose · ligand · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	544	0.89	0.95	65	FAD, G3F
2	314	0.69	0.83	33	empty
3	99	0.52	0.83	26	empty
4	79	0.50	0.84	27	empty
5	82	0.33	0.74	11	empty

Compared structures

3PL8 · Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose · the same entry in another collection · chain A against A, TM-score 1.00

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 Q7ZA32
Elsewhere: RCSB PDB 3PL8 · PDBe 3PL8 · UniProt Q7ZA32

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