Calcium in PDB 1lpp: Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase

All present enzymatic activity of Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase:
3.1.1.3;

The structure of Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase, PDB code: 1lpp was solved by P.G.Grochulski, M.C.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.18
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.100, 97.400, 176.200, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / n/a

The binding sites of Calcium atom in the Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase (pdb code 1lpp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase, PDB code: 1lpp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca589 b:38.1 occ:1.00 O A:HOH780 2.3 32.2 1.0 O A:HOH782 2.4 27.4 1.0 O A:HOH795 2.5 25.4 1.0 OD1 A:ASP260 2.6 20.5 1.0 OD2 A:ASP260 2.8 21.4 1.0 CG A:ASP260 3.0 21.6 1.0 OD1 A:ASN256 4.1 19.9 1.0 NZ A:LYS274 4.4 27.1 1.0 O A:HOH858 4.5 49.8 1.0 O A:HOH839 4.5 42.2 1.0 OE2 A:GLU168 4.5 34.9 1.0 CB A:ASP260 4.6 19.7 1.0 O A:ASN256 4.6 18.0 1.0 OE1 A:GLU168 4.7 28.4 1.0 O A:HOH870 4.7 53.3 1.0 OD2 A:ASP167 4.8 26.9 1.0 CD2 A:PHE259 4.8 15.9 1.0 CG A:ASN256 4.9 15.4 1.0 CB A:ASN256 4.9 13.8 1.0

Calcium binding site 2 out of 2 in the Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca590 b:12.4 occ:1.00 O A:HOH779 2.2 -2.3 1.0 O A:HOH713 2.4 24.6 1.0 O A:GLY326 2.4 13.9 1.0 O A:HOH731 2.4 17.2 1.0 C A:GLY326 3.5 14.2 1.0 CA A:GLY326 4.2 13.3 1.0 O A:TYR328 4.4 14.8 1.0 O A:HOH743 4.4 27.5 1.0 N A:LYS327 4.5 15.2 1.0 N A:TYR328 4.7 17.3 1.0 CA A:LYS327 4.7 17.6 1.0 OD1 A:ASN330 4.8 18.8 1.0 ND2 A:ASN330 4.9 12.3 1.0

P.Grochulski, F.Bouthillier, R.J.Kazlauskas, A.N.Serreqi, J.D.Schrag, E.Ziomek, M.Cygler. Analogs of Reaction Intermediates Identify A Unique Substrate Binding Site in Candida Rugosa Lipase. Biochemistry V. 33 3494 1994.
ISSN: ISSN 0006-2960
PubMed: 8142346
DOI: 10.1021/BI00178A005