MolNFT v1 · #111617 · protein

Streptococcus pneumoniae sialidase nanc

4YW4 · Neuraminidase C: “Streptococcus pneumoniae sialidase nanc”. X-ray diffraction, 1 ligand (PO4), 14 pockets (best druggability 0.63). MolNFT v1 #111617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4YW4
Type: protein
Length: 1,318 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase C
EC: 3.2.1.18
UniProt: B5E561
Ligands: PO4
Pockets: 14 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Neuraminidase C (EC 3.2.1.18)	protein	659	4% helix, 46% strand	B5E561

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	424	0.63	0.77	29	empty
2	340	0.55	0.75	36	empty
3	264	0.55	0.77	30	empty
4	262	0.55	0.77	33	PO4
5	279	0.53	0.76	25	empty

Interfaces

1 interface between chains.

A–B · 268 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4YW4 · Streptococcus pneumoniae sialidase NanC · 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 B5E561
Elsewhere: RCSB PDB 4YW4 · PDBe 4YW4 · UniProt B5E561

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