Calcium in PDB 3ue9: Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis

All present enzymatic activity of Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis:
6.3.4.4;

The structure of Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis, PDB code: 3ue9 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.880, 74.590, 112.660, 109.35, 90.01, 103.19
R / Rfree (%)	20.1 / 24.7

The structure of Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis (pdb code 3ue9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis, PDB code: 3ue9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis


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 Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca450 b:23.8 occ:1.00 O C:HOH823 2.3 25.5 1.0 O C:HOH774 2.4 22.9 1.0 O C:PRO209 2.4 14.6 1.0 O C:HOH773 2.5 20.6 1.0 O C:HOH600 2.5 16.9 1.0 O C:HOH772 2.6 20.2 1.0 O C:HOH663 2.6 14.8 1.0 C C:PRO209 3.5 14.8 1.0 CA C:PRO209 4.3 16.0 1.0 N C:MET210 4.3 13.9 1.0 CB C:PRO209 4.3 17.2 1.0 CA C:MET210 4.3 12.9 1.0 O C:GLU105 4.4 16.6 1.0 O C:ARG104 4.4 17.3 1.0 O C:HOH466 4.4 21.6 1.0 CA C:GLU105 4.7 18.4 1.0 O C:HOH1096 4.7 42.9 1.0 O C:HOH754 4.8 29.1 1.0 C C:GLU105 4.8 16.5 1.0 CE1 C:PHE108 4.9 10.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis


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 Adenylosuccinate Synthetase (Ampsase) (Pura) From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca450 b:27.1 occ:1.00 O D:HOH1128 2.3 31.9 1.0 O D:PRO209 2.3 18.1 1.0 O D:HOH569 2.4 22.9 1.0 O D:HOH793 2.5 29.2 1.0 O D:HOH791 2.6 21.8 1.0 O D:HOH534 2.6 21.0 1.0 O D:HOH792 2.6 32.4 1.0 C D:PRO209 3.4 18.1 1.0 N D:MET210 4.2 17.1 1.0 CA D:PRO209 4.2 19.4 1.0 O D:HOH822 4.3 31.8 1.0 CB D:PRO209 4.3 20.6 1.0 CA D:MET210 4.3 16.3 1.0 O D:GLU105 4.4 20.4 1.0 O D:ARG104 4.6 21.2 1.0 O D:HOH719 4.6 32.3 1.0 O D:HOH1112 4.6 34.1 1.0 O D:HOH487 4.8 18.5 1.0 CA D:GLU105 4.9 23.0 1.0 C D:GLU105 4.9 20.4 1.0

L.Baugh, L.A.Gallagher, R.Patrapuvich, M.C.Clifton, A.S.Gardberg, T.E.Edwards, B.Armour, D.W.Begley, S.H.Dieterich, D.M.Dranow, J.Abendroth, J.W.Fairman, D.Fox, B.L.Staker, I.Phan, A.Gillespie, R.Choi, S.Nakazawa-Hewitt, M.T.Nguyen, A.Napuli, L.Barrett, G.W.Buchko, R.Stacy, P.J.Myler, L.J.Stewart, C.Manoil, W.C.Van Voorhis. Combining Functional and Structural Genomics to Sample the Essential Burkholderia Structome. Plos One V. 8 53851 2013.
ISSN: ESSN 1932-6203
PubMed: 23382856
DOI: 10.1371/JOURNAL.PONE.0053851