MolNFT v1 · #12504 · protein

Vibrio cholerae neuraminidase

1KIT · Sialidase: “Vibrio cholerae neuraminidase”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.69). MolNFT v1 #12504 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1KIT
Type: protein
Length: 757 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sialidase
EC: 3.2.1.18
UniProt: P37060
Ligands: CA
Pockets: 6 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sialidase (EC 3.2.1.18)	protein	757	6% helix, 51% strand	P37060

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	426	0.69	0.81	65	empty
2	144	0.61	0.85	24	empty
3	233	0.60	0.80	26	empty
4	109	0.42	0.76	20	empty
5	113	0.36	0.74	23	empty

Compared structures

1KIT · Vibrio cholerae neuraminidase · 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 P37060
Elsewhere: RCSB PDB 1KIT · PDBe 1KIT · UniProt P37060

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