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Iron 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
Calcium (Ca) 4 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 4 in 1xvg

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Iron 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 Iron with other atoms in the Fe binding site number 1 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe528

b:20.4
occ:1.00
 OE1 A:GLU114 1.9 18.5 1.0
O A:HOH4099 2.0 15.2 1.0
OE2 A:GLU144 2.1 18.9 1.0
ND1 A:HIS147 2.2 16.9 1.0
OB1 A:BRJ3803 2.2 43.0 1.0
O A:HOH4001 2.3 22.2 1.0
CD A:GLU114 2.9 19.4 1.0
CE1 A:HIS147 3.0 17.3 1.0
CD A:GLU144 3.1 16.6 1.0
FE A:FE529 3.2 25.4 1.0
OE2 A:GLU114 3.2 21.0 1.0
CG A:HIS147 3.2 16.4 1.0
CB1 A:BRJ3803 3.2 43.0 1.0
OE1 A:GLU144 3.4 15.3 1.0
CB A:HIS147 3.6 15.0 1.0
O A:HOH4114 3.8 39.0 1.0
OE2 A:GLU243 4.1 43.4 1.0
NE2 A:HIS147 4.2 17.9 1.0
CG A:GLU114 4.3 16.7 1.0
CD2 A:HIS147 4.3 15.9 1.0
CE1 A:HIS246 4.4 18.0 1.0
CB A:BRJ3803 4.4 43.0 1.0
CG A:GLU144 4.5 15.3 1.0
ND1 A:HIS246 4.5 19.4 1.0
BR1 A:BRJ3803 4.6 43.0 1.0
CB A:GLU114 4.6 15.9 1.0
CG2 A:ILE239 4.7 16.9 1.0
CA A:GLU144 4.7 14.5 1.0
OE2 A:GLU209 4.7 29.1 1.0
CA A:GLU114 4.7 19.0 1.0
OE1 A:GLU243 4.8 36.1 1.0
CD A:GLU243 4.9 39.6 1.0
CB A:GLU144 4.9 13.3 1.0

Iron binding site 2 out of 4 in 1xvg

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Iron 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 Iron with other atoms in the Fe binding site number 2 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe529

b:25.4
occ:1.00
 OE2 A:GLU209 1.9 29.1 1.0
O A:HOH4099 2.0 15.2 1.0
ND1 A:HIS246 2.2 19.4 1.0
OE1 A:GLU144 2.3 15.3 1.0
OB1 A:BRJ3803 2.4 43.0 1.0
OE1 A:GLU243 2.4 36.1 1.0
CE1 A:HIS246 3.0 18.0 1.0
CD A:GLU209 3.0 29.4 1.0
CD A:GLU243 3.1 39.6 1.0
OE2 A:GLU243 3.2 43.4 1.0
FE A:FE528 3.2 20.4 1.0
CB1 A:BRJ3803 3.3 43.0 1.0
CG A:HIS246 3.3 19.6 1.0
CD A:GLU144 3.3 16.6 1.0
OE2 A:GLU144 3.5 18.9 1.0
O A:HOH4114 3.6 39.0 1.0
NE2 A:GLN140 3.7 15.2 1.0
CB A:HIS246 3.8 20.2 1.0
OE1 A:GLU209 3.9 29.8 1.0
CG A:GLU209 3.9 28.7 1.0
NE2 A:HIS246 4.2 19.9 1.0
O A:HOH4001 4.2 22.2 1.0
CB A:BRJ3803 4.3 43.0 1.0
CD2 A:HIS246 4.3 16.5 1.0
CD A:GLN140 4.5 17.8 1.0
ND1 A:HIS147 4.6 16.9 1.0
CG A:GLU243 4.6 36.8 1.0
CE1 A:HIS147 4.6 17.3 1.0
CG A:GLU144 4.7 15.3 1.0
CG A:GLN140 4.7 16.8 1.0
OE1 A:GLU114 4.9 18.5 1.0
CB A:GLU209 4.9 25.5 1.0

Iron binding site 3 out of 4 in 1xvg

Go back to Iron Binding Sites List in 1xvg
Iron 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 Iron with other atoms in the Fe binding site number 3 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe528

b:19.6
occ:1.00
 O B:HOH3816 1.9 22.0 1.0
OE1 B:GLU114 2.0 17.8 1.0
ND1 B:HIS147 2.2 13.8 1.0
OE2 B:GLU144 2.2 20.3 1.0
O B:HOH3882 2.2 21.6 1.0
OB1 B:BRJ3800 2.4 43.8 1.0
CD B:GLU114 3.0 17.7 1.0
CE1 B:HIS147 3.1 15.6 1.0
FE B:FE529 3.1 26.0 1.0
CD B:GLU144 3.1 19.8 1.0
CG B:HIS147 3.3 13.2 1.0
OE2 B:GLU114 3.3 20.0 1.0
OE1 B:GLU144 3.3 18.1 1.0
CB1 B:BRJ3800 3.4 43.8 1.0
CB B:HIS147 3.7 15.5 1.0
O B:HOH4086 3.8 35.1 1.0
OE2 B:GLU243 4.1 40.0 1.0
NE2 B:HIS147 4.2 17.3 1.0
CE1 B:HIS246 4.2 22.4 1.0
CD2 B:HIS147 4.3 14.5 1.0
CG B:GLU114 4.4 17.5 1.0
ND1 B:HIS246 4.4 23.1 1.0
CB B:BRJ3800 4.5 43.8 1.0
CG B:GLU144 4.6 15.8 1.0
OE1 B:GLU209 4.6 26.0 1.0
CG2 B:ILE239 4.7 14.4 1.0
BR1 B:BRJ3800 4.7 43.8 1.0
CA B:GLU144 4.7 14.9 1.0
CB B:GLU114 4.7 16.7 1.0
OE1 B:GLU243 4.7 34.8 1.0
CA B:GLU114 4.8 21.1 1.0
CD B:GLU243 4.9 37.2 1.0
CB B:GLU144 5.0 16.0 1.0

Iron binding site 4 out of 4 in 1xvg

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Iron 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 Iron with other atoms in the Fe binding site number 4 of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe529

b:26.0
occ:1.00
 O B:HOH3816 1.8 22.0 1.0
OE1 B:GLU209 2.0 26.0 1.0
ND1 B:HIS246 2.1 23.1 1.0
OB1 B:BRJ3800 2.4 43.8 1.0
OE1 B:GLU144 2.4 18.1 1.0
OE1 B:GLU243 2.4 34.8 1.0
CE1 B:HIS246 2.9 22.4 1.0
CD B:GLU209 3.0 26.9 1.0
FE B:FE528 3.1 19.6 1.0
CG B:HIS246 3.2 22.1 1.0
CD B:GLU243 3.2 37.2 1.0
CD B:GLU144 3.4 19.8 1.0
CB1 B:BRJ3800 3.4 43.8 1.0
OE2 B:GLU243 3.4 40.0 1.0
OE2 B:GLU144 3.6 20.3 1.0
O B:HOH4086 3.6 35.1 1.0
CB B:HIS246 3.7 20.7 1.0
CG B:GLU209 3.7 27.4 1.0
NE2 B:GLN140 3.8 19.2 1.0
OE2 B:GLU209 3.9 26.7 1.0
NE2 B:HIS246 4.1 21.1 1.0
O B:HOH3882 4.2 21.6 1.0
CD2 B:HIS246 4.3 21.0 1.0
CB B:BRJ3800 4.5 43.8 1.0
ND1 B:HIS147 4.5 13.8 1.0
CD B:GLN140 4.5 20.5 1.0
CE1 B:HIS147 4.6 15.6 1.0
CG B:GLU243 4.7 34.7 1.0
CG B:GLN140 4.7 18.7 1.0
CG B:GLU144 4.7 15.8 1.0
OE1 B:GLU114 4.8 17.8 1.0
CB B:GLU209 5.0 26.6 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: Sat Aug 3 17:04:12 2024

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