Calcium in PDB 1j9l: Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate, PDB code: 1j9l was solved by S.W.Suh, J.Y.Lee, J.E.Kwak, J.Moon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.68 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.724, 114.724, 77.543, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 24.1

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate also contains other interesting chemical elements:

Vanadium

(V)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate (pdb code 1j9l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate, PDB code: 1j9l:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1301 b:33.1 occ:1.00 OD1 A:ASN95 2.2 26.2 1.0 O4 A:VO4401 2.4 82.8 1.0 OD1 A:ASP9 2.4 45.2 1.0 OD2 A:ASP8 2.5 35.6 1.0 OG A:SER39 2.5 30.8 1.0 O A:HOH1367 2.6 44.3 1.0 OD2 A:ASP9 2.8 42.3 1.0 CG A:ASP9 2.8 43.9 1.0 CG A:ASN95 3.3 26.3 1.0 CG A:ASP8 3.4 35.4 1.0 OD1 A:ASP8 3.5 37.4 1.0 CB A:SER39 3.7 37.6 1.0 ND2 A:ASN95 3.8 25.2 1.0 V A:VO4401 3.9 84.5 1.0 CB A:ASP9 4.2 41.1 1.0 O A:HOH1365 4.4 29.5 1.0 O3 A:VO4401 4.4 80.7 1.0 N A:ASP9 4.4 36.8 1.0 OE2 A:GLU37 4.5 53.2 1.0 O2 A:VO4401 4.5 82.5 1.0 CA A:SER39 4.5 37.9 1.0 CA A:ASP9 4.5 40.1 1.0 OG1 A:THR109 4.6 24.9 1.0 CB A:ASN95 4.6 25.2 1.0 O A:ARG96 4.6 26.6 1.0 C A:ASP8 4.7 33.5 1.0 N A:ARG96 4.7 27.0 1.0 CB A:ASP8 4.8 32.9 1.0 O1 A:VO4401 4.8 82.3 1.0 O A:ASP8 5.0 33.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1302 b:35.7 occ:1.00 O A:TRP183 2.2 24.3 1.0 OD2 A:ASP185 2.3 35.2 1.0 O A:HOH1413 2.4 31.3 1.0 O A:HOH1355 2.4 34.2 1.0 O A:HOH1414 2.4 39.7 1.0 O A:HOH1352 2.6 28.8 1.0 O A:HOH1354 2.8 37.1 1.0 C A:TRP183 3.4 24.5 1.0 CG A:ASP185 3.4 32.8 1.0 N A:ASP185 3.9 28.8 1.0 OD1 A:ASP185 4.0 35.1 1.0 O A:HOH1353 4.1 54.7 1.0 CA A:TRP183 4.2 24.2 1.0 N A:TRP183 4.3 23.8 1.0 N A:ASN184 4.4 25.2 1.0 O A:HOH1351 4.5 40.2 1.0 CA A:ASN184 4.5 26.2 1.0 CB A:ASP185 4.6 32.3 1.0 CB A:TRP183 4.6 26.7 1.0 C A:ASN184 4.7 27.6 1.0 CA A:ASP185 4.8 30.8 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1303 b:37.2 occ:1.00 OD2 B:ASP9 2.2 43.4 1.0 O B:HOH1402 2.2 44.2 1.0 O4 B:VO41401 2.3 63.9 1.0 OD1 B:ASN95 2.3 21.1 1.0 OD1 B:ASP8 2.5 34.5 1.0 OG B:SER39 2.6 43.3 1.0 CG B:ASP9 3.1 40.7 1.0 OD2 B:ASP8 3.2 37.3 1.0 CG B:ASP8 3.2 33.6 1.0 OD1 B:ASP9 3.2 41.9 1.0 CG B:ASN95 3.4 25.4 1.0 V B:VO41401 3.7 66.6 1.0 CB B:SER39 3.8 49.6 1.0 ND2 B:ASN95 3.9 23.6 1.0 O3 B:VO41401 4.0 59.9 1.0 O B:HOH1405 4.4 33.0 1.0 CB B:ASP9 4.4 36.8 1.0 O1 B:VO41401 4.5 65.1 1.0 OG1 B:THR109 4.5 25.5 1.0 O B:ARG96 4.5 28.0 1.0 O2 B:VO41401 4.5 64.0 1.0 CA B:SER39 4.6 49.0 1.0 N B:ASP9 4.7 31.6 1.0 CB B:ASN95 4.7 22.6 1.0 N B:ARG96 4.7 24.8 1.0 CB B:ASP8 4.7 30.8 1.0 C B:ASP8 4.7 30.5 1.0 CA B:ASP9 4.8 35.2 1.0 O B:ASP8 4.9 31.0 1.0

J.Y.Lee, J.E.Kwak, J.Moon, S.H.Eom, E.C.Liong, J.D.Pedelacq, J.Berendzen, S.W.Suh. Crystal Structure and Functional Analysis of the Sure Protein Identify A Novel Phosphatase Family. Nat.Struct.Biol. V. 8 789 2001.
ISSN: ISSN 1072-8368
PubMed: 11524683
DOI: 10.1038/NSB0901-789