MolNFT v1 · #55104 · protein

Catalytic module of the multi-modular glycogen-degrading pneumococcal virulence factor spua

2YA0 · Putative alkaline amylopullulanase: “Catalytic module of the multi-modular glycogen-degrading pneumococcal virulence factor spua”. X-ray diffraction, 2 ligands (NA, CA), 5 pockets (best druggability 0.57). MolNFT v1 #55104 on…

PDB: 2YA0
Type: protein
Length: 714 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative alkaline amylopullulanase
UniProt: Q97SQ7
Ligands: NA, CA
Pockets: 5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative alkaline amylopullulanase	protein	714	29% helix, 22% strand	Q97SQ7

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · 4 copies · chains A

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

Pockets

5 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	272	0.57	0.78	35	GOL, NA
2	95	0.49	0.82	18	GOL
3	125	0.39	0.74	24	empty
4	50	0.36	0.80	14	empty
5	52	0.27	0.75	13	CA

Compared structures

2YA0 · 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 2YA0 · PDBe 2YA0 · UniProt Q97SQ7

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