Calcium in PDB 1tlg: Structure of A Tunicate C-Type Lectin Complexed with D- Galactose

The structure of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose, PDB code: 1tlg was solved by S.F.Poget, G.B.Legge, M.Bycroft, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.180, 66.450, 85.900, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.9

The structure of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Calcium atom in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose (pdb code 1tlg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose, PDB code: 1tlg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:27.4 occ:1.00 OE1 A:GLU86 2.2 23.2 1.0 OD1 A:ASP108 2.3 21.9 1.0 OD1 A:ASP107 2.4 22.3 1.0 OD1 A:ASN89 2.4 22.7 1.0 O3 A:GAL126 2.5 34.9 1.0 O4 A:GAL126 2.5 33.5 1.0 O A:ASP108 2.5 23.4 1.0 CD A:GLU86 3.2 24.0 1.0 CG A:ASP108 3.3 23.0 1.0 C4 A:GAL126 3.3 34.8 1.0 CG A:ASP107 3.4 22.2 1.0 C3 A:GAL126 3.4 35.4 1.0 CG A:ASN89 3.5 24.6 1.0 C A:ASP108 3.6 22.4 1.0 N A:ASP108 3.6 22.3 1.0 OG A:SER88 3.7 25.4 1.0 OD2 A:ASP107 3.7 22.4 1.0 OE2 A:GLU86 3.7 22.7 1.0 CA A:ASP108 3.9 22.1 1.0 OD2 A:ASP108 4.0 23.7 1.0 C2 A:GAL126 4.1 36.3 1.0 N A:SER88 4.2 25.7 1.0 CB A:ASP108 4.2 22.5 1.0 N A:ASN89 4.2 26.5 1.0 ND2 A:ASN89 4.2 24.0 1.0 CG A:GLU86 4.3 24.0 1.0 O A:HOH312 4.3 27.7 1.0 O A:HOH311 4.4 33.2 1.0 CB A:ASN89 4.5 24.7 1.0 C A:ASP107 4.6 22.0 1.0 CB A:GLU86 4.6 25.3 1.0 CB A:ASP107 4.7 21.6 1.0 N A:VAL109 4.7 22.4 1.0 CB A:SER88 4.8 25.4 1.0 C5 A:GAL126 4.8 34.5 1.0 C A:SER88 4.8 26.2 1.0 CA A:SER88 4.8 25.9 1.0 CA A:ASN89 4.9 25.7 1.0 CA A:ASP107 4.9 21.9 1.0 O2 A:GAL126 4.9 36.6 1.0 CA A:PRO87 5.0 25.7 1.0

Calcium binding site 2 out of 4 in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:48.5 occ:1.00 O A:HOH375 2.0 32.6 1.0 O A:HOH373 2.0 36.5 1.0 O A:HOH374 2.0 36.0 1.0 O A:HOH370 2.0 57.4 1.0 O A:HOH372 2.1 51.0 1.0 O A:HOH371 2.3 42.5 1.0 O A:HOH304 3.8 41.3 1.0 O A:HOH349 4.0 38.3 1.0 O A:TRP82 4.2 30.8 1.0 O A:HOH383 4.2 47.3 1.0 O A:SER79 4.3 32.3 1.0 O A:HOH388 4.6 54.1 1.0 O A:SER83 4.6 33.2 1.0 CB A:TRP82 4.8 30.1 1.0 O A:HOH387 4.8 43.9 1.0

Calcium binding site 3 out of 4 in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:18.7 occ:1.00 OD1 B:ASP107 2.4 18.3 1.0 O4 B:GAL126 2.4 20.3 1.0 O B:ASP108 2.4 18.5 1.0 OE1 B:GLU86 2.5 20.2 1.0 OD1 B:ASN89 2.5 20.5 1.0 O3 B:GAL126 2.5 20.4 1.0 OD1 B:ASP108 2.5 17.1 1.0 C4 B:GAL126 3.2 21.7 1.0 CD B:GLU86 3.2 21.5 1.0 CG B:ASP107 3.3 18.8 1.0 C3 B:GAL126 3.3 22.0 1.0 CG B:ASP108 3.4 18.7 1.0 C B:ASP108 3.5 19.4 1.0 CG B:ASN89 3.5 22.5 1.0 N B:ASP108 3.6 18.5 1.0 OD2 B:ASP107 3.6 18.2 1.0 OE2 B:GLU86 3.7 19.4 1.0 CA B:ASP108 3.9 19.1 1.0 OG B:SER88 3.9 21.4 1.0 OD2 B:ASP108 4.1 18.2 1.0 C2 B:GAL126 4.1 23.4 1.0 ND2 B:ASN89 4.1 22.0 1.0 CB B:ASP108 4.2 18.9 1.0 N B:SER88 4.2 22.2 1.0 CG B:GLU86 4.3 21.8 1.0 N B:ASN89 4.3 23.1 1.0 O B:HOH322 4.4 15.8 1.0 O B:HOH313 4.5 25.4 1.0 C B:ASP107 4.5 18.5 1.0 CB B:ASN89 4.6 22.0 1.0 CB B:ASP107 4.6 18.5 1.0 C5 B:GAL126 4.7 22.2 1.0 N B:VAL109 4.7 20.5 1.0 CB B:GLU86 4.7 23.3 1.0 CA B:ASP107 4.8 18.6 1.0 C B:SER88 4.9 23.0 1.0 CA B:SER88 4.9 23.1 1.0 O2 B:GAL126 5.0 23.2 1.0 CB B:SER88 5.0 22.4 1.0 CA B:ASN89 5.0 22.9 1.0

Calcium binding site 4 out of 4 in the Structure of A Tunicate C-Type Lectin Complexed with D- Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of A Tunicate C-Type Lectin Complexed with D- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:32.1 occ:1.00 O B:HOH421 1.9 24.9 1.0 O B:HOH422 1.9 29.1 1.0 O B:HOH424 2.1 30.1 1.0 O B:HOH423 2.2 39.6 1.0 O B:HOH420 2.3 47.7 1.0 O B:HOH425 2.4 54.1 1.0 O B:HOH378 3.9 14.7 1.0 O B:TRP82 4.0 19.2 1.0 O B:HOH383 4.0 38.6 1.0 O B:HOH374 4.1 28.1 1.0 O B:HOH325 4.3 37.1 1.0 O B:HOH434 4.3 43.5 1.0 O B:SER83 4.4 16.0 1.0 O B:HOH435 4.4 49.1 1.0 O B:SER79 4.4 26.8 1.0 CB B:TRP82 4.7 18.5 1.0 C B:TRP82 4.8 18.8 1.0 O B:HOH321 4.8 21.3 1.0 C B:SER83 4.9 17.8 1.0 CA B:PRO84 5.0 19.6 1.0 O B:GLU86 5.0 21.4 1.0

S.F.Poget, G.B.Legge, M.R.Proctor, P.J.Butler, M.Bycroft, R.L.Williams. The Structure of A Tunicate C-Type Lectin From Polyandrocarpa Misakiensis Complexed with D -Galactose. J.Mol.Biol. V. 290 867 1999.
ISSN: ISSN 0022-2836
PubMed: 10398588
DOI: 10.1006/JMBI.1999.2910