MolNFT v2 · #218431 · protein

Crystal structure of Neurospora crassa NADase with modified C-terminus

8R17 · Conidial surface nicotinamide adenine dinucleotide…: “Crystal structure of Neurospora crassa NADase with modified C-terminus”. X-ray diffraction at 2.3, 1 ligand (NAG), 3 pockets (best druggability 0.61). MolNFT v2 #218431 on…

PDB: 8R17
Type: protein
Length: 188 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.3
Source: Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293…
Molecule: Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface…
EC: 3.2.2.5, 3.2.2.-
UniProt: Q7S936, Q4WL81
Ligands: NAG
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · resolution 2.3 · 1 distinct chain · 19% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA (EC 3.2.2.5, 3.2.2.-)	protein	188	19% helix, 23% strand	Q7S936, Q4WL81

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

3 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	251	0.61	0.80	28	empty
2	59	0.53	0.87	17	empty
3	76	0.36	0.76	18	empty

Modifications

Observed in the structure: 3 glycan, 2 disulfide (N-glycosylation, disulfide).

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 Q7S936
Every structure of UniProt Q4WL81
Elsewhere: RCSB PDB 8R17 · PDBe 8R17 · UniProt Q7S936 · UniProt Q4WL81

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