Calcium in PDB 4lip: Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate

All present enzymatic activity of Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate:
3.1.1.3;

The structure of Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate, PDB code: 4lip was solved by D.A.Lang, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.040, 46.360, 85.380, 90.00, 116.53, 90.00
R / Rfree (%)	17.8 / 20.2

The binding sites of Calcium atom in the Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate (pdb code 4lip). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate, PDB code: 4lip:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca321 b:8.6 occ:1.00 O D:VAL296 2.3 5.9 1.0 O D:GLN292 2.4 5.8 1.0 O D:HOH988 2.4 2.0 1.0 OD2 D:ASP242 2.4 5.3 1.0 OD1 D:ASP288 2.4 4.7 1.0 O D:HOH975 2.5 4.5 1.0 C D:GLN292 3.3 6.9 1.0 C D:VAL296 3.5 5.9 1.0 N D:LEU293 3.6 7.3 1.0 CG D:ASP288 3.6 6.2 1.0 CG D:ASP242 3.6 5.5 1.0 CA D:ARG297 4.0 5.8 1.0 N D:ARG297 4.2 5.7 1.0 CA D:ASP288 4.3 3.6 1.0 N D:ASP288 4.3 4.5 1.0 OD2 D:ASP288 4.3 6.5 1.0 OG D:SER244 4.4 5.4 1.0 O D:HOH994 4.4 3.7 1.0 ND2 D:ASN285 4.4 5.3 1.0 OD1 D:ASN285 4.4 4.1 1.0 OD1 D:ASP242 4.4 4.8 1.0 CB D:ASP242 4.4 5.0 1.0 OG1 D:THR245 4.5 5.0 1.0 CB D:ARG297 4.5 6.1 1.0 CB D:ASP288 4.5 3.9 1.0 CA D:VAL296 4.6 6.4 1.0 CA D:GLN292 4.7 5.9 1.0 C D:LEU287 4.7 4.8 1.0 CG D:ASN285 4.8 7.0 1.0 CB D:VAL296 4.8 6.6 1.0 N D:VAL296 4.9 6.6 1.0 N D:GLN292 4.9 6.4 1.0 CA D:LEU293 5.0 8.1 1.0

Calcium binding site 2 out of 2 in the Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pseudomonas Lipase Complexed with Rc-(Rp, Sp)- Dibutylcarbamoylglycero-3-O-Butylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca321 b:6.5 occ:1.00 O E:VAL296 2.2 6.4 1.0 O E:GLN292 2.4 6.9 1.0 OD1 E:ASP288 2.4 3.6 1.0 OD2 E:ASP242 2.4 6.3 1.0 O E:HOH998 2.4 2.0 1.0 O E:HOH985 2.5 4.4 1.0 C E:GLN292 3.3 7.5 1.0 C E:VAL296 3.4 6.3 1.0 N E:LEU293 3.5 7.9 1.0 CG E:ASP242 3.6 4.5 1.0 CG E:ASP288 3.6 6.4 1.0 CA E:ARG297 3.9 6.9 1.0 N E:ARG297 4.1 7.6 1.0 CA E:ASP288 4.3 3.1 1.0 N E:ASP288 4.4 3.6 1.0 OD2 E:ASP288 4.4 6.4 1.0 CB E:ASP242 4.4 5.4 1.0 OD1 E:ASP242 4.4 3.5 1.0 OD1 E:ASN285 4.4 5.5 1.0 OG E:SER244 4.4 6.2 1.0 ND2 E:ASN285 4.4 5.3 1.0 O E:HOH1004 4.4 5.8 1.0 CB E:ARG297 4.5 7.3 1.0 OG1 E:THR245 4.5 5.9 1.0 CB E:ASP288 4.6 3.8 1.0 CA E:VAL296 4.6 6.3 1.0 CA E:GLN292 4.7 6.9 1.0 C E:LEU287 4.8 4.1 1.0 CB E:VAL296 4.8 6.6 1.0 CG E:ASN285 4.9 6.5 1.0 N E:VAL296 4.9 7.3 1.0 N E:GLN292 4.9 6.8 1.0 CA E:LEU293 4.9 8.5 1.0

D.A.Lang, M.L.M.Mannesse, G.De Haas, H.M.Verheij, B.W.Dijkstra. Structural Basis of the Chiral Selectivity of Pseudomonas Cepacia Lipase Eur.J.Biochem. V. 254 333 1998.
ISSN: ISSN 0014-2956
PubMed: 9660188
DOI: 10.1046/J.1432-1327.1998.2540333.X