Calcium in PDB 1kit: Vibrio Cholerae Neuraminidase

All present enzymatic activity of Vibrio Cholerae Neuraminidase:
3.2.1.18;

The structure of Vibrio Cholerae Neuraminidase, PDB code: 1kit was solved by G.L.Taylor, S.J.Crennell, E.F.Garman, E.R.Vimr, W.G.Laver, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.300, 78.900, 164.500, 90.00, 90.00, 90.00
R / Rfree (%)	17 / n/a

The binding sites of Calcium atom in the Vibrio Cholerae Neuraminidase (pdb code 1kit). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Vibrio Cholerae Neuraminidase, PDB code: 1kit:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Vibrio Cholerae Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Vibrio Cholerae Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:9.7 occ:1.00 OD1 A:ASN256 2.2 36.9 1.0 OG1 A:THR313 2.2 1.0 1.0 OD2 A:ASP289 2.3 4.3 1.0 O A:ALA253 2.4 3.2 1.0 O A:THR313 2.5 9.3 1.0 O A:ASN256 2.5 12.3 1.0 OD1 A:ASP289 2.8 10.2 1.0 CG A:ASP289 2.9 12.6 1.0 C A:ASN256 3.2 9.5 1.0 C A:THR313 3.3 1.0 1.0 CG A:ASN256 3.3 32.7 1.0 CB A:THR313 3.3 60.9 1.0 CA A:THR313 3.3 11.6 1.0 C A:ALA253 3.5 1.0 1.0 N A:ALA253 3.8 1.0 1.0 CA A:ASN256 3.9 10.0 1.0 N A:ASN256 3.9 9.1 1.0 N A:THR257 4.0 11.9 1.0 CA A:ALA253 4.1 6.4 1.0 CB A:ASN256 4.2 34.3 1.0 CA A:THR257 4.3 20.5 1.0 ND2 A:ASN256 4.3 23.2 1.0 N A:GLY252 4.3 17.6 1.0 CB A:ASP289 4.3 10.2 1.0 O A:HOH1169 4.3 6.9 1.0 C A:GLY252 4.3 18.1 1.0 CG2 A:THR313 4.3 15.7 1.0 N A:ASP314 4.5 15.4 1.0 N A:LEU254 4.5 1.0 1.0 CA A:GLY252 4.7 1.0 1.0 C A:LEU254 4.8 40.0 1.0 CA A:LEU254 4.8 1.0 1.0 N A:THR313 4.8 13.0 1.0 CB A:ALA253 4.8 1.0 1.0 O A:GLY252 4.9 3.0 1.0 N A:SER255 5.0 3.8 1.0

Calcium binding site 2 out of 2 in the Vibrio Cholerae Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Vibrio Cholerae Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:12.2 occ:1.00 O A:ALA683 2.4 1.0 1.0 OD1 A:ASP621 2.5 1.0 1.0 OD2 A:ASP682 2.5 2.4 1.0 OD2 A:ASP621 2.6 1.0 1.0 OD1 A:ASP682 2.6 18.2 1.0 O A:HOH931 2.6 13.0 1.0 CG A:ASP621 2.9 5.6 1.0 CG A:ASP682 2.9 1.0 1.0 N A:GLY549 3.6 1.0 1.0 C A:ALA683 3.6 6.8 1.0 CA A:GLY549 4.0 1.0 1.0 O A:HOH1394 4.0 17.6 1.0 CB A:PRO548 4.1 3.6 1.0 NH2 A:ARG294 4.1 19.3 1.0 N A:ALA683 4.2 1.0 1.0 CB A:ASP682 4.4 17.5 1.0 O A:ALA620 4.4 1.0 1.0 CB A:ASP621 4.4 1.0 1.0 CA A:SER684 4.4 19.8 1.0 N A:SER684 4.5 4.6 1.0 O A:SER741 4.5 8.7 1.0 C A:PRO548 4.6 10.1 1.0 CA A:ALA683 4.6 6.4 1.0 O A:HOH930 4.6 2.0 1.0 C A:ASP682 4.7 22.3 1.0 O A:HOH932 4.8 4.8 1.0 CB A:SER684 4.8 43.7 1.0 CG A:PRO548 4.8 20.1 1.0 CA A:PRO548 4.9 12.9 1.0 CA A:ASP682 4.9 13.1 1.0 C A:ALA620 5.0 1.0 1.0

S.Crennell, E.Garman, G.Laver, E.Vimr, G.Taylor. Crystal Structure of Vibrio Cholerae Neuraminidase Reveals Dual Lectin-Like Domains in Addition to the Catalytic Domain. Structure V. 2 535 1994.
ISSN: ISSN 0969-2126
PubMed: 7922030
DOI: 10.1016/S0969-2126(00)00053-8