Calcium in PDB 1hsr: Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase

All present enzymatic activity of Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase:
1.11.1.7;

The structure of Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase, PDB code: 1hsr was solved by K.Fukuyama, H.Itakura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.500, 74.500, 118.010, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / n/a

The structure of Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase (pdb code 1hsr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase, PDB code: 1hsr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca346 b:10.4 occ:1.00 OD1 A:ASP57 2.3 10.0 1.0 O A:HOH424 2.4 10.6 1.0 O A:ASP57 2.5 10.2 1.0 O A:HOH425 2.5 8.0 1.0 OD1 A:ASP77 2.5 11.0 1.0 OG A:SER79 2.5 10.6 1.0 O A:GLY75 2.6 10.2 1.0 C A:ASP57 3.3 10.1 1.0 CG A:ASP57 3.4 13.2 1.0 CG A:ASP77 3.6 12.8 1.0 CB A:SER79 3.7 10.4 1.0 CA A:ASP57 3.7 10.3 1.0 C A:GLY75 3.8 11.0 1.0 N A:SER79 3.9 10.7 1.0 OD2 A:ASP77 4.0 14.0 1.0 CB A:ASP57 4.2 10.2 1.0 N A:ASP77 4.2 10.6 1.0 OD2 A:ASP57 4.2 10.6 1.0 O A:HOH363 4.2 12.9 1.0 CA A:SER79 4.3 9.9 1.0 N A:GLY75 4.4 12.9 1.0 N A:ALA58 4.5 9.8 1.0 CA A:GLY75 4.5 10.8 1.0 N A:ILE80 4.5 10.3 1.0 N A:GLY78 4.6 9.3 1.0 O A:GLY60 4.6 12.0 1.0 OE2 A:GLU87 4.7 10.5 1.0 CB A:ASP77 4.7 11.1 1.0 OE1 A:GLU87 4.7 10.6 1.0 N A:ALA76 4.7 10.3 1.0 CA A:ASP77 4.8 11.2 1.0 C A:SER79 4.8 10.7 1.0 O A:HIS56 4.9 12.0 1.0 CA A:ALA76 4.9 10.4 1.0 CA A:ALA58 4.9 10.6 1.0 C A:GLY78 5.0 8.9 1.0 C A:ASP77 5.0 11.2 1.0 CB A:SER148 5.0 11.5 1.0

Calcium binding site 2 out of 2 in the Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca347 b:9.0 occ:1.00 OD1 A:ASP209 2.4 6.8 1.0 OD2 A:ASP202 2.4 8.6 1.0 O A:THR204 2.5 10.4 1.0 O A:SER185 2.5 8.7 1.0 OG1 A:THR204 2.5 9.6 1.0 OG A:SER185 2.5 5.8 1.0 O A:VAL207 2.5 7.9 1.0 OD1 A:ASP202 2.7 9.5 1.0 CG A:ASP202 2.9 8.9 1.0 C A:THR204 3.3 9.7 1.0 CG A:ASP209 3.4 5.9 1.0 C A:SER185 3.4 7.9 1.0 CB A:THR204 3.6 9.3 1.0 CB A:SER185 3.6 7.2 1.0 CA A:SER185 3.7 7.4 1.0 OD2 A:ASP209 3.7 8.1 1.0 C A:VAL207 3.8 8.7 1.0 CA A:THR204 3.9 8.8 1.0 N A:ASP209 4.1 9.0 1.0 N A:THR204 4.2 9.3 1.0 N A:PRO205 4.3 10.2 1.0 N A:VAL207 4.4 9.9 1.0 CB A:ASP202 4.5 9.1 1.0 O A:ASP209 4.5 7.0 1.0 CA A:VAL207 4.5 9.5 1.0 O A:HOH515 4.6 13.3 1.0 CB A:ASP209 4.6 8.1 1.0 N A:LEU186 4.6 7.8 1.0 CA A:PRO205 4.6 10.5 1.0 CB A:GLN211 4.7 7.9 1.0 CB A:VAL207 4.7 10.5 1.0 N A:PHE208 4.7 7.5 1.0 CA A:ASP209 4.8 8.2 1.0 CA A:PHE208 4.8 8.8 1.0 C A:ASP209 4.9 8.9 1.0 CG2 A:THR204 4.9 10.5 1.0 CD1 A:LEU186 4.9 10.8 1.0 C A:PHE208 5.0 9.0 1.0

H.Itakura, Y.Oda, K.Fukuyama. Binding Mode of Benzhydroxamic Acid to Arthromyces Ramosus Peroxidase Shown By X-Ray Crystallographic Analysis of the Complex at 1.6 A Resolution. Febs Lett. V. 412 107 1997.
ISSN: ISSN 0014-5793
PubMed: 9257700
DOI: 10.1016/S0014-5793(97)00751-5