Calcium in PDB 1u7w: Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex

All present enzymatic activity of Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex:
6.3.2.5;

The structure of Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex, PDB code: 1u7w was solved by S.Stanitzek, M.A.Augustin, R.Huber, T.Kupke, S.Steinbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	45.926, 144.406, 246.215, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.8

The binding sites of Calcium atom in the Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex (pdb code 1u7w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex, PDB code: 1u7w:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:67.0 occ:1.00 O A:HOH2502 2.1 59.8 1.0 OD2 A:ASP279 2.1 52.4 1.0 O2B A:CTP500 2.1 70.2 1.0 O A:HOH2503 2.1 52.3 1.0 O1A A:CTP500 2.1 53.1 1.0 CG A:ASP279 2.8 56.3 1.0 OD1 A:ASP279 2.8 55.0 1.0 O1G A:CTP500 3.0 71.5 1.0 PB A:CTP500 3.4 63.3 1.0 PA A:CTP500 3.5 58.4 1.0 PG A:CTP500 3.8 74.2 1.0 O3A A:CTP500 3.8 64.9 1.0 O3B A:CTP500 4.0 71.9 1.0 NZ B:LYS289 4.0 85.9 1.0 O2G A:CTP500 4.1 67.5 1.0 CE B:LYS289 4.2 80.8 1.0 O A:HOH114 4.3 67.9 1.0 CB A:ASP279 4.3 56.3 1.0 O5' A:CTP500 4.3 58.8 1.0 O A:VAL277 4.4 51.8 1.0 C5 A:CTP500 4.5 47.5 1.0 OD1 A:ASP210 4.5 70.2 1.0 C6 A:CTP500 4.6 50.7 1.0 O2A A:CTP500 4.6 58.4 1.0 O1B A:CTP500 4.6 74.2 1.0

Calcium binding site 2 out of 3 in the Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1501 b:83.8 occ:1.00 O B:HOH2504 2.1 78.1 1.0 O B:HOH2505 2.1 81.2 1.0 O2B B:CTP1500 2.1 85.8 1.0 OD2 B:ASP279 2.1 76.4 1.0 O1A B:CTP1500 2.1 81.5 1.0 CG B:ASP279 2.9 73.5 1.0 OD1 B:ASP279 2.9 80.2 1.0 O1G B:CTP1500 3.0 95.2 1.0 O3G B:CTP1500 3.3 0.7 1.0 PB B:CTP1500 3.5 87.0 1.0 PG B:CTP1500 3.5 0.3 1.0 PA B:CTP1500 3.5 73.0 1.0 NZ A:LYS289 3.6 0.3 1.0 O3B B:CTP1500 4.0 92.5 1.0 O3A B:CTP1500 4.0 83.2 1.0 O B:HOH88 4.2 55.8 1.0 O B:HOH57 4.2 70.6 1.0 CB B:ASP279 4.3 67.8 1.0 O5' B:CTP1500 4.5 67.9 1.0 CE A:LYS289 4.5 0.5 1.0 O2A B:CTP1500 4.5 80.1 1.0 O B:VAL277 4.5 56.0 1.0 C5 B:CTP1500 4.6 47.1 1.0 O1B B:CTP1500 4.7 88.1 1.0 OD1 B:ASP210 4.7 84.5 1.0 C6 B:CTP1500 4.8 47.8 1.0

Calcium binding site 3 out of 3 in the Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Phosphopantothenoylcysteine Synthetase From E. Coli, Ctp- Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2501 b:78.9 occ:1.00 O C:HOH2506 2.1 68.5 1.0 O C:HOH2507 2.1 72.7 1.0 OD2 C:ASP279 2.1 68.8 1.0 O1A C:CTP2500 2.1 85.2 1.0 O2B C:CTP2500 2.2 87.0 1.0 OD1 C:ASP279 2.7 73.9 1.0 CG C:ASP279 2.8 71.4 1.0 O1G C:CTP2500 3.0 91.3 1.0 O2G C:CTP2500 3.3 89.4 1.0 PB C:CTP2500 3.5 85.9 1.0 PG C:CTP2500 3.5 90.1 1.0 PA C:CTP2500 3.5 77.7 1.0 O3B C:CTP2500 4.0 87.8 1.0 O3A C:CTP2500 4.0 77.1 1.0 O C:HOH68 4.1 79.0 1.0 CB C:ASP279 4.3 68.2 1.0 O5' C:CTP2500 4.4 71.6 1.0 C5 C:CTP2500 4.4 60.0 1.0 O C:VAL277 4.4 73.8 1.0 C6 C:CTP2500 4.5 56.2 1.0 O C:HOH93 4.6 67.5 1.0 O2A C:CTP2500 4.6 77.9 1.0 OD1 C:ASP210 4.6 93.7 1.0 O1B C:CTP2500 4.7 85.8 1.0

S.Stanitzek, M.A.Augustin, R.Huber, T.Kupke, S.Steinbacher. Structural Basis of Ctp-Dependent Peptide Bond Formation in Coenzyme A Biosynthesis Catalyzed By Escherichia Coli Ppc Synthetase Structure V. 12 1977 2004.
ISSN: ISSN 0969-2126
PubMed: 15530362
DOI: 10.1016/J.STR.2004.08.007