MolNFT v1 · #111715 · protein

Crystal structure of streptococcus pneumoniae nanc, apo structure.

4YZ1 · Putative neuraminidase: “Crystal structure of streptococcus pneumoniae nanc, apo structure.”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.70). MolNFT v1 #111715 on GenesisL1: 3D structure, binding sites and…

PDB: 4YZ1
Type: protein
Length: 1,312 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative neuraminidase
EC: 3.2.1.18
UniProt: Q97Q99
Ligands: SO4
Pockets: 11 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative neuraminidase (EC 3.2.1.18)	protein	656	3% helix, 46% strand	Q97Q99
B	Putative neuraminidase (EC 3.2.1.18)	protein	656	4% helix, 46% strand	Q97Q99

Ligands and binding sites

SO4 · Sulfate ion · ion · 12 copies · chains A, B

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

Pockets

11 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	59	0.70	0.97	24	empty
2	627	0.65	0.76	74	empty
3	314	0.61	0.79	33	empty
4	296	0.60	0.78	28	empty
5	274	0.53	0.76	24	empty

Interfaces

1 interface between chains.

A–B · 162 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4YZ1 · Crystal Structure of Streptococcus pneumoniae NanC, apo structure. · 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 Q97Q99
Elsewhere: RCSB PDB 4YZ1 · PDBe 4YZ1 · UniProt Q97Q99

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