MolNFT v1 · #61074 · protein

Structure of the pqq-bound form of aldose sugar dehydrogenase (adh) from streptomyces coelicolor

3DAS · Putative oxidoreductase: “Structure of the pqq-bound form of aldose sugar dehydrogenase (adh) from streptomyces coelicolor”. X-ray diffraction, 3 ligands (PQQ, ARA, CA), 2 pockets (best druggability 0.64). MolNFT v1 #61074 on…

PDB: 3DAS
Type: protein
Length: 334 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative oxidoreductase
UniProt: Q9Z571
Ligands: PQQ, ARA, CA
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative oxidoreductase	protein	334	2% helix, 43% strand	Q9Z571

Ligands and binding sites

PQQ · Pyrroloquinoline quinone · ligand · chains A
ARA · alpha-L-arabinopyranose · sugar · 2 copies · chains A
CA · Calcium ion · metal · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 8 copies · chains A

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	345	0.64	0.79	33	empty
2	101	0.45	0.79	22	CA, PQQ

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3DAS · Structure of the PQQ-bound form of Aldose Sugar Dehydrogenase (Adh) from Streptomyces… · 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 Q9Z571
Elsewhere: RCSB PDB 3DAS · PDBe 3DAS · UniProt Q9Z571

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