MolNFT v1 · #65388 · protein

Crystal structure of endo-neuraminidasenf

3GVL · Endo-N-acetylneuraminidase: “Crystal structure of endo-neuraminidasenf”. X-ray diffraction, 2 ligands (SLB, SIA), 6 pockets (best druggability 0.53). MolNFT v1 #65388 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3GVL
Type: protein
Length: 670 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endo-N-acetylneuraminidase
EC: 3.2.1.129
UniProt: Q858B1
Ligands: SLB, SIA
Pockets: 6 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endo-N-acetylneuraminidase (EC 3.2.1.129)	protein	670	3% helix, 37% strand	Q858B1

Ligands and binding sites

SLB · N-acetyl-beta-neuraminic acid · sugar · 2 copies · chains A
SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A

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

Pockets

6 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	217	0.53	0.77	26	empty
2	239	0.52	0.76	31	empty
3	52	0.48	0.86	16	empty
4	80	0.35	0.75	16	empty
5	67	0.27	0.72	16	empty

Compared structures

3GVL · Crystal Structure of endo-neuraminidaseNF · 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 Q858B1
Elsewhere: RCSB PDB 3GVL · PDBe 3GVL · UniProt Q858B1

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