MolNFT v1 · #100135 · protein

Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose

4MOH: “Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose”. X-ray diffraction, 2 ligands (FDA, SHG), 6 pockets (best druggability 0.86). MolNFT v1 #100135 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MOH
Type: protein
Length: 576 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: FDA, SHG
Pockets: 6 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyranose 2-oxidase (EC 1.1.3.10)	protein	576	25% helix, 23% strand	Q7ZA32

Ligands and binding sites

FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
SHG · 2-deoxy-2-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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	718	0.86	0.89	67	FDA, SHG
2	311	0.66	0.82	36	empty
3	90	0.53	0.84	24	empty
4	77	0.33	0.74	13	empty
5	56	0.30	0.75	14	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4MOH · Pyranose 2-oxidase V546C mutant with 2-fluorinated 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 4MOH · PDBe 4MOH · UniProt Q7ZA32

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