Calcium in PDB 3unx: Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution

All present enzymatic activity of Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution:
3.4.21.62;

The structure of Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution, PDB code: 3unx was solved by S.J.Fisher, J.R.Helliwell, M.P.Blakeley, M.Cianci, S.Mcsweeny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.79 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.099, 55.159, 75.453, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 13.9

The structure of Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution (pdb code 3unx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution, PDB code: 3unx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca280 b:7.1 occ:1.00 O A:LEU75 2.3 7.8 1.0 O A:VAL81 2.4 7.3 1.0 O A:THR79 2.4 8.7 1.0 OD1 A:ASN77 2.4 9.7 1.0 NE2 A:GLN2 2.4 7.2 1.0 OD1 A:ASP41 2.4 7.2 1.0 OD2 A:ASP41 2.5 7.7 1.0 HE21 A:GLN2 2.5 8.6 1.0 CG A:ASP41 2.8 6.9 1.0 HG3 A:GLN2 3.3 12.4 1.0 CG A:ASN77 3.4 10.3 1.0 H A:VAL81 3.4 8.3 1.0 H A:ASN77 3.4 12.9 1.0 HD21 A:ASN77 3.5 12.7 1.0 CD A:GLN2 3.5 9.4 1.0 C A:VAL81 3.5 6.7 1.0 C A:LEU75 3.5 7.4 1.0 C A:THR79 3.6 9.2 1.0 N A:VAL81 3.7 6.9 1.0 H A:THR79 3.7 15.7 1.0 ND2 A:ASN77 3.8 10.6 1.0 HA3 A:GLY80 3.9 10.6 1.0 CG A:GLN2 3.9 10.3 1.0 N A:ASN77 4.0 10.8 1.0 HA A:ASP76 4.0 11.1 1.0 HB2 A:LEU75 4.1 8.6 1.0 HG23 A:THR79 4.1 20.5 1.0 C A:GLY80 4.2 8.0 1.0 HA A:LEU82 4.2 10.2 1.0 HB2 A:GLN2 4.2 12.9 1.0 HB1 A:ALA74 4.2 7.3 1.0 CA A:VAL81 4.2 7.0 1.0 HG22 A:THR79 4.2 20.5 1.0 CA A:GLY80 4.3 8.9 1.0 N A:LEU75 4.4 6.1 1.0 CB A:ASP41 4.4 6.6 1.0 H A:LEU75 4.4 7.3 1.0 N A:THR79 4.4 13.1 1.0 CA A:LEU75 4.4 6.6 1.0 N A:GLY80 4.4 9.4 1.0 N A:ASP76 4.5 8.1 1.0 CA A:THR79 4.6 13.1 1.0 N A:LEU82 4.6 7.5 1.0 CB A:ASN77 4.6 11.7 1.0 OE1 A:GLN2 4.6 12.7 1.0 CA A:ASP76 4.6 9.3 1.0 CG2 A:THR79 4.6 17.1 1.0 HD22 A:ASN77 4.6 12.7 1.0 CB A:GLN2 4.7 10.8 1.0 HG2 A:GLN2 4.7 12.4 1.0 CB A:LEU75 4.7 7.2 1.0 CA A:ASN77 4.7 12.0 1.0 HA A:VAL81 4.7 8.4 1.0 HB2 A:ASP41 4.7 7.9 1.0 C A:ASN77 4.7 14.3 1.0 HA A:ASP41 4.7 8.5 1.0 C A:ASP76 4.8 10.6 1.0 HB3 A:ASP41 4.8 7.9 1.0 C A:ALA74 4.8 5.8 1.0 O A:ASN77 4.8 15.6 1.0 CA A:LEU82 4.8 8.5 1.0 O A:GLY80 5.0 8.8 1.0 HB3 A:LEU75 5.0 8.6 1.0

Calcium binding site 2 out of 2 in the Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bond Length Analysis of Asp, Glu and His Residues in Subtilisin Carlsberg at 1.26A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca282 b:13.2 occ:1.00 H A:TYR6 2.6 7.9 1.0 HD2 A:TYR6 3.0 9.7 1.0 O A:HOH503 3.1 8.0 1.0 HA A:PRO5 3.1 8.3 1.0 HB3 A:TYR6 3.1 9.1 1.0 O A:HOH585 3.2 20.6 1.0 N A:TYR6 3.3 6.6 1.0 CD2 A:TYR6 3.9 8.1 1.0 CA A:PRO5 3.9 7.0 1.0 CB A:TYR6 3.9 7.6 1.0 C A:PRO5 4.1 6.6 1.0 CA A:TYR6 4.2 6.8 1.0 HB3 A:PRO5 4.2 9.1 1.0 CG A:TYR6 4.4 7.5 1.0 HB2 A:TYR206 4.4 7.0 1.0 HA A:TYR6 4.6 8.1 1.0 HB3 A:TYR206 4.6 7.0 1.0 O A:VAL4 4.7 7.7 1.0 CB A:PRO5 4.7 7.6 1.0 HB2 A:TYR6 4.7 9.1 1.0 O A:GLY204 4.8 8.3 1.0 H A:TYR206 4.8 7.0 1.0 CE2 A:TYR6 5.0 7.9 1.0

S.J.Fisher, M.P.Blakeley, M.Cianci, S.Mcsweeney, J.R.Helliwell. Protonation-State Determination in Proteins Using High-Resolution X-Ray Crystallography: Effects of Resolution and Completeness. Acta Crystallogr.,Sect.D V. 68 800 2012.
ISSN: ISSN 0907-4449
PubMed: 22751665
DOI: 10.1107/S0907444912012589