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Calcium in PDB 1xvg: Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure

Enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure:
1.14.13.25;

Protein crystallography data

The structure of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure, PDB code: 1xvg 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) 29.97 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.282, 171.538, 221.424, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 23

Other elements in 1xvg:

The structure of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure also contains other interesting chemical elements:

Bromine (Br) 12 atoms
Iron (Fe) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure (pdb code 1xvg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure, PDB code: 1xvg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1xvg

Go back to Calcium Binding Sites List in 1xvg
Calcium binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol 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: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1162

b:39.1
occ:1.00
 O A:HOH4029 2.5 27.4 1.0
O A:HOH3856 2.5 27.9 1.0
OXT A:ASN527 2.6 36.1 1.0
O A:HOH4112 3.1 41.4 1.0
C A:ASN527 3.6 26.4 1.0
NH1 E:ARG162 4.0 37.1 1.0
CA A:ASN527 4.1 26.1 1.0
O A:HOH4113 4.2 70.6 1.0
OE2 A:GLU440 4.2 46.3 1.0
OE1 A:GLU440 4.4 49.1 1.0
O A:ASN527 4.7 26.6 1.0
CD A:GLU440 4.7 44.1 1.0
O A:PHE526 4.7 27.7 1.0

Calcium binding site 2 out of 4 in 1xvg

Go back to Calcium Binding Sites List in 1xvg
Calcium binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol 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: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1111

b:27.6
occ:1.00
 OE1 C:GLU222 2.2 26.6 1.0
O C:HOH4077 2.4 17.8 1.0
O C:HOH3821 2.4 27.9 1.0
O C:HOH3818 2.5 26.6 1.0
O C:HOH4031 2.5 33.5 1.0
O C:HOH4022 2.7 32.4 1.0
CD C:GLU222 3.4 24.6 1.0
CG C:GLU222 4.2 21.5 1.0
CB C:GLU222 4.3 19.4 1.0
OE2 C:GLU222 4.4 27.9 1.0
OD1 C:ASP334 4.4 17.5 1.0
O C:HOH3819 4.5 21.4 1.0
OD2 C:ASP334 4.6 13.2 1.0
CD C:LYS225 4.6 20.9 1.0
CG C:ASP334 4.7 15.7 1.0
O C:GLU222 4.7 18.6 1.0
CA C:GLU222 4.8 18.2 1.0
O C:HOH3934 4.9 17.8 1.0
O C:HOH4076 4.9 47.4 1.0

Calcium binding site 3 out of 4 in 1xvg

Go back to Calcium Binding Sites List in 1xvg
Calcium binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1112

b:56.8
occ:1.00
 OD1 C:ASP348 2.5 31.5 1.0
O C:HOH4056 2.7 27.4 1.0
O C:HOH4057 2.7 35.2 1.0
CG C:ASP348 3.6 28.9 1.0
OD2 C:ASP348 4.0 29.7 1.0
OE1 C:GLU350 4.4 20.2 1.0
O C:HOH3948 4.7 20.5 1.0
CB C:ASP348 4.8 24.6 1.0
CB C:GLU350 5.0 19.3 1.0

Calcium binding site 4 out of 4 in 1xvg

Go back to Calcium Binding Sites List in 1xvg
Calcium binding site 4 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1218

b:42.7
occ:1.00
 O C:HOH4084 2.3 38.5 1.0
OD1 C:ASP378 2.5 26.7 1.0
OD2 C:ASP378 2.7 25.4 1.0
OD2 C:ASP376 2.7 31.6 1.0
OD1 C:ASP376 2.7 26.5 1.0
CG C:ASP378 2.9 25.1 1.0
CG C:ASP376 3.0 26.6 1.0
CB C:ASP378 4.4 20.8 1.0
CB C:ASP376 4.4 24.5 1.0
NE2 C:GLN379 4.6 53.5 1.0
N C:ASP378 4.7 15.9 1.0
CA C:ASP376 4.8 19.5 1.0
N C:GLN379 5.0 17.9 1.0

Reference:

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
Page generated: Fri Jul 12 07:47:38 2024

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