Calcium in PDB 1xve: Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure:
1.14.13.25;

The structure of Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure, PDB code: 1xve was solved by M.H.Sazinsky, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.470, 171.937, 220.504, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 26

The structure of Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure also contains other interesting chemical elements:

Bromine	(Br)	10 atoms
Iron	(Fe)	4 atoms

The binding sites of Calcium atom in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure (pdb code 1xve). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure, PDB code: 1xve:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca673 b:56.1 occ:1.00 OXT A:ASN527 2.8 54.4 1.0 C A:ASN527 3.5 46.5 1.0 CA A:ASN527 3.8 46.9 1.0 O A:PHE526 4.3 42.6 1.0 O A:ASN527 4.6 42.0 1.0 NH1 E:ARG162 4.7 53.8 1.0 CB A:ASN527 4.7 53.9 1.0 OE2 A:GLU440 4.7 70.6 1.0 N A:ASN527 4.9 46.4 1.0

Calcium binding site 2 out of 2 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca674 b:48.5 occ:1.00 OE1 C:GLU222 2.3 35.1 1.0 O C:HOH722 3.0 42.1 1.0 CD C:GLU222 3.5 33.2 1.0 OD1 C:ASP334 4.2 25.7 1.0 OE2 C:GLU222 4.3 36.4 1.0 O C:HOH712 4.4 34.5 1.0 CG C:GLU222 4.4 30.2 1.0 CD C:LYS225 4.5 27.3 1.0 CB C:GLU222 4.5 29.1 1.0 CG C:ASP334 4.6 26.9 1.0 OD2 C:ASP334 4.6 27.4 1.0 O C:GLU222 5.0 28.9 1.0 CE C:LYS225 5.0 30.4 1.0

M.H.Sazinsky, S.J.Lippard. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. V. 127 5814 2005.
ISSN: ISSN 0002-7863
PubMed: 15839679
DOI: 10.1021/JA044099B