Calcium in PDB 1sca: Enzyme Crystal Structure in A Neat Organic Solvent

All present enzymatic activity of Enzyme Crystal Structure in A Neat Organic Solvent:
3.4.21.62;

The structure of Enzyme Crystal Structure in A Neat Organic Solvent, PDB code: 1sca was solved by P.A.Fitzpatrick, A.C.U.Steinmetz, D.Ringe, A.M.Klibanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.500, 55.300, 53.400, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Enzyme Crystal Structure in A Neat Organic Solvent also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Enzyme Crystal Structure in A Neat Organic Solvent (pdb code 1sca). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Enzyme Crystal Structure in A Neat Organic Solvent, PDB code: 1sca:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Enzyme Crystal Structure in A Neat Organic Solvent


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Enzyme Crystal Structure in A Neat Organic Solvent within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:9.7 occ:1.00 O A:VAL81 2.3 12.0 1.0 OD1 A:ASN77 2.3 13.8 1.0 O A:LEU75 2.4 7.2 1.0 O A:THR79 2.4 8.6 1.0 NE2 A:GLN2 2.4 9.8 1.0 OD1 A:ASP41 2.5 10.4 1.0 OD2 A:ASP41 2.6 11.5 1.0 CG A:ASP41 3.0 11.1 1.0 CG A:ASN77 3.3 12.7 1.0 C A:VAL81 3.4 11.0 1.0 C A:THR79 3.5 9.3 1.0 CD A:GLN2 3.6 11.0 1.0 C A:LEU75 3.6 7.3 1.0 ND2 A:ASN77 3.6 13.7 1.0 N A:VAL81 3.7 9.2 1.0 N A:ASN77 3.9 9.8 1.0 CG A:GLN2 4.0 11.3 1.0 C A:GLY80 4.2 9.9 1.0 CA A:VAL81 4.2 9.7 1.0 N A:THR79 4.2 13.3 1.0 N A:LEU75 4.3 6.7 1.0 CA A:LEU75 4.4 5.9 1.0 N A:GLY80 4.4 9.6 1.0 CA A:GLY80 4.4 9.9 1.0 CA A:THR79 4.5 11.2 1.0 CB A:ASP41 4.5 9.9 1.0 N A:LEU82 4.5 10.8 1.0 N A:ASP76 4.5 8.1 1.0 CB A:ASN77 4.6 9.4 1.0 CA A:ASN77 4.6 9.7 1.0 CA A:ASP76 4.6 8.5 1.0 OE1 A:GLN2 4.6 12.0 1.0 CG2 A:THR79 4.6 15.3 1.0 C A:ASN77 4.7 12.0 1.0 CB A:LEU75 4.7 6.0 1.0 C A:ASP76 4.7 10.2 1.0 CB A:GLN2 4.7 11.8 1.0 C A:ALA74 4.7 6.8 1.0 CA A:LEU82 4.8 9.1 1.0 O A:ASN77 4.8 12.5 1.0 O A:GLY80 4.9 10.3 1.0 CB A:ALA74 4.9 7.0 1.0

Calcium binding site 2 out of 2 in the Enzyme Crystal Structure in A Neat Organic Solvent


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Enzyme Crystal Structure in A Neat Organic Solvent within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:47.0 occ:1.00 O A:HIS39 2.4 12.6 1.0 O A:LEU42 2.6 11.0 1.0 O A:ALA37 2.7 13.8 1.0 C A:HIS39 3.3 11.1 1.0 O A:HOH451 3.4 46.0 1.0 O A:HOH625 3.4 23.2 1.0 C A:SER38 3.5 11.1 1.0 O A:SER38 3.6 11.7 1.0 C A:LEU42 3.8 10.4 1.0 N A:HIS39 3.8 9.5 1.0 C A:ALA37 3.8 13.4 1.0 CA A:SER38 3.9 11.9 1.0 CA A:HIS39 4.2 8.7 1.0 N A:PRO40 4.2 12.1 1.0 CA A:PRO40 4.3 11.6 1.0 N A:SER38 4.3 12.6 1.0 N A:LEU42 4.5 8.0 1.0 CA A:LEU42 4.6 9.7 1.0 C A:PRO40 4.6 11.0 1.0 N A:ASN43 4.7 10.2 1.0 O A:PRO40 4.8 11.7 1.0 CA A:ASN43 4.8 10.4 1.0 CB A:LEU42 4.9 8.9 1.0

P.A.Fitzpatrick, A.C.Steinmetz, D.Ringe, A.M.Klibanov. Enzyme Crystal Structure in A Neat Organic Solvent. Proc.Natl.Acad.Sci.Usa V. 90 8653 1993.
ISSN: ISSN 0027-8424
PubMed: 8378343
DOI: 10.1073/PNAS.90.18.8653