MolNFT v1 · #142411 · protein

Levoglucosan dehydrogenase, apo form

6A3F · Putative dehydrogenase: “Levoglucosan dehydrogenase, apo form”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.73). MolNFT v1 #142411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6A3F
Type: protein
Length: 764 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative dehydrogenase
UniProt: F0M433
Ligands: SO4
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative dehydrogenase	protein	381	37% helix, 25% strand	F0M433
B	Putative dehydrogenase	protein	383	36% helix, 26% strand	F0M433

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	462	0.73	0.82	45	SO4
2	299	0.71	0.84	31	empty
3	220	0.48	0.75	31	empty
4	62	0.42	0.81	28	empty

Interfaces

1 interface between chains.

A–B · 1842 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

6A3F · Levoglucosan dehydrogenase, apo form · 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 F0M433
Elsewhere: RCSB PDB 6A3F · PDBe 6A3F · UniProt F0M433

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