MolNFT v1 · #109487 · protein

Crystal structure of the intramolecular trans-sialidase from ruminococcus gnavus in complex with NEU5AC2EN

4X47 · Anhydrosialidase: “Crystal structure of the intramolecular trans-sialidase from ruminococcus gnavus in complex with NEU5AC2EN”. X-ray diffraction, 2 ligands (DAN, PO4), 4 pockets (best druggability 0.64). MolNFT v1 #109487 on…

PDB: 4X47
Type: protein
Length: 489 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Anhydrosialidase
EC: 3.2.1.18
UniProt: V8BWT1
Ligands: DAN, PO4
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Anhydrosialidase (EC 3.2.1.18)	protein	489	4% helix, 44% strand	V8BWT1

Ligands and binding sites

DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

4 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	283	0.64	0.81	35	empty
2	222	0.58	0.80	30	DAN
3	82	0.42	0.80	19	empty
4	120	0.38	0.74	23	PO4

Compared structures

4X47 · Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in… · 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 V8BWT1
Elsewhere: RCSB PDB 4X47 · PDBe 4X47 · UniProt V8BWT1

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