Calcium in PDB 1c7i: Thermophylic Pnb Esterase

The structure of Thermophylic Pnb Esterase, PDB code: 1c7i was solved by B.Spiller, A.Gershenson, F.Arnold, R.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.068, 80.322, 100.252, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.5

The binding sites of Calcium atom in the Thermophylic Pnb Esterase (pdb code 1c7i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Thermophylic Pnb Esterase, PDB code: 1c7i:

Calcium binding site 1 out of 1 in the Thermophylic Pnb Esterase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thermophylic Pnb Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca746 b:18.6 occ:1.00 ND1 A:HIS3 2.0 27.9 1.0 N A:THR2 2.2 31.9 1.0 N A:HIS3 2.2 30.9 1.0 O A:HOH583 2.6 32.2 1.0 O A:HOH616 2.9 35.1 1.0 CE1 A:HIS3 3.0 27.6 1.0 C A:THR2 3.0 31.6 1.0 CA A:THR2 3.0 31.4 1.0 CG A:HIS3 3.1 27.9 1.0 CA A:HIS3 3.3 30.0 1.0 CB A:HIS3 3.5 28.9 1.0 N A:GLN4 3.8 30.1 1.0 C A:HIS3 4.0 29.9 1.0 O A:HOH580 4.1 29.7 1.0 NE2 A:HIS3 4.1 27.2 1.0 O A:THR2 4.2 32.1 1.0 CD2 A:HIS3 4.2 27.5 1.0 CB A:THR2 4.3 31.9 1.0 OG1 A:THR2 4.4 31.4 1.0

B.Spiller, A.Gershenson, F.H.Arnold, R.C.Stevens. A Structural View of Evolutionary Divergence. Proc.Natl.Acad.Sci.Usa V. 96 12305 1999.
ISSN: ISSN 0027-8424
PubMed: 10535917
DOI: 10.1073/PNAS.96.22.12305