MolNFT v1 · #68724 · protein

Pyranose 2-oxidase F454A/S455A/Y456A mutant

3K4N: “Pyranose 2-oxidase F454A/S455A/Y456A mutant”. X-ray diffraction, 1 ligand (FAD), 12 pockets (best druggability 0.87). MolNFT v1 #68724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3K4N
Type: protein
Length: 1,146 residues
Chains: 2
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
Pockets: 12 · best druggability 0.87

Structure

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

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

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	585	0.87	0.92	67	FAD
2	735	0.85	0.89	78	FAD
3	466	0.79	0.87	61	empty
4	1002	0.79	0.81	77	empty
5	207	0.63	0.83	39	empty

Interfaces

1 interface between chains.

A–B · 2826 Å² buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (flavinylation).

Compared structures

3K4N · Pyranose 2-oxidase F454A/S455A/Y456A mutant · 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 3K4N · PDBe 3K4N · UniProt Q7ZA32

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