MolNFT v1 · #55106 · protein

Catalytic module of the multi-modular glycogen-degrading pneumococcal virulence factor spua in complex with an inhibitor.

2YA2 · Putative alkaline amylopullulanase: “Catalytic module of the multi-modular glycogen-degrading pneumococcal virulence factor spua in complex with…”. X-ray diffraction, 4 ligands (NOJ, GLC, CA), 3 pockets (best druggability 0.61).…

PDB: 2YA2
Type: protein
Length: 708 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative alkaline amylopullulanase
UniProt: Q97SQ7
Ligands: NOJ, GLC, CA, NA
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative alkaline amylopullulanase	protein	708	28% helix, 22% strand	Q97SQ7

Ligands and binding sites

NOJ · 1-deoxynojirimycin · ligand · chains A
GLC · alpha-D-glucopyranose · sugar · chains A
CA · Calcium ion · metal · chains A
NA · Sodium ion · metal · 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	274	0.61	0.79	36	NOJ, GLC, NA
2	99	0.54	0.84	16	empty
3	156	0.43	0.75	29	empty

Compared structures

2YA2 · Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor… · 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 Q97SQ7
Elsewhere: RCSB PDB 2YA2 · PDBe 2YA2 · UniProt Q97SQ7

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.