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Iron in PDB 1xvb: Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure

Enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure:
1.14.13.25;

Protein crystallography data

The structure of Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure, PDB code: 1xvb 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) 29.85 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.632, 171.867, 220.622, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 25.1

Other elements in 1xvb:

The structure of Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure also contains other interesting chemical elements:

Bromine (Br) 13 atoms
Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure (pdb code 1xvb). 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: 6-Bromohexanol Soaked Structure, PDB code: 1xvb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1xvb

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Iron binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol 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: 6-Bromohexanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1170

b:28.9
occ:1.00
 O A:HOH1309 1.8 21.5 1.0
OE2 A:GLU209 2.0 28.8 1.0
OE1 A:GLU243 2.1 32.5 1.0
O7 A:BHL1203 2.2 61.9 1.0
ND1 A:HIS246 2.2 29.8 1.0
OE1 A:GLU144 2.4 26.5 1.0
CE1 A:HIS246 3.0 28.8 1.0
CD A:GLU209 3.1 31.2 1.0
FE A:FE1171 3.1 25.1 1.0
CD A:GLU243 3.1 35.7 1.0
CD A:GLU144 3.3 24.2 1.0
CG A:HIS246 3.3 30.6 1.0
OE2 A:GLU243 3.3 37.7 1.0
C6 A:BHL1203 3.4 61.9 1.0
OE2 A:GLU144 3.5 26.8 1.0
NE2 A:GLN140 3.7 26.3 1.0
CB A:HIS246 3.8 31.5 1.0
CG A:GLU209 3.8 32.3 1.0
OE1 A:GLU209 4.0 33.3 1.0
C5 A:BHL1203 4.0 61.9 1.0
O A:HOH1308 4.1 28.0 1.0
NE2 A:HIS246 4.2 29.7 1.0
CD2 A:HIS246 4.4 27.2 1.0
CG A:GLU243 4.5 33.4 1.0
ND1 A:HIS147 4.5 24.7 1.0
C3 A:BHL1203 4.5 61.9 1.0
CD A:GLN140 4.5 26.2 1.0
CE1 A:HIS147 4.6 23.5 1.0
CG A:GLU144 4.7 23.0 1.0
CG A:GLN140 4.8 24.9 1.0
CB A:GLU209 4.8 32.7 1.0
OE1 A:GLU114 4.8 21.3 1.0
C4 A:BHL1203 4.9 61.9 1.0

Iron binding site 2 out of 4 in 1xvb

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Iron binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol 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: 6-Bromohexanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1171

b:25.1
occ:1.00
 O7 A:BHL1203 1.9 61.9 1.0
OE1 A:GLU114 2.0 21.3 1.0
O A:HOH1309 2.2 21.5 1.0
ND1 A:HIS147 2.2 24.7 1.0
O A:HOH1308 2.2 28.0 1.0
OE2 A:GLU144 2.2 26.8 1.0
C6 A:BHL1203 2.5 61.9 1.0
CD A:GLU114 3.0 23.6 1.0
CE1 A:HIS147 3.0 23.5 1.0
FE A:FE1170 3.1 28.9 1.0
CD A:GLU144 3.2 24.2 1.0
CG A:HIS147 3.3 24.4 1.0
OE2 A:GLU114 3.3 26.7 1.0
OE1 A:GLU144 3.4 26.5 1.0
CB A:HIS147 3.7 25.1 1.0
OE2 A:GLU243 3.9 37.7 1.0
C5 A:BHL1203 4.0 61.9 1.0
NE2 A:HIS147 4.2 22.6 1.0
OE1 A:GLU243 4.3 32.5 1.0
CD2 A:HIS147 4.3 24.5 1.0
CG A:GLU114 4.4 22.1 1.0
CE1 A:HIS246 4.4 28.8 1.0
ND1 A:HIS246 4.5 29.8 1.0
CD A:GLU243 4.6 35.7 1.0
CG A:GLU144 4.6 23.0 1.0
CG2 A:ILE239 4.6 26.4 1.0
CB A:GLU114 4.7 20.3 1.0
OE2 A:GLU209 4.7 28.8 1.0
C3 A:BHL1203 4.7 61.9 1.0
CA A:GLU114 4.7 23.9 1.0
CA A:GLU144 4.7 20.9 1.0
C4 A:BHL1203 4.7 61.9 1.0
CB A:GLU144 5.0 22.0 1.0

Iron binding site 3 out of 4 in 1xvb

Go back to Iron Binding Sites List in 1xvb
Iron binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol 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: 6-Bromohexanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1172

b:32.9
occ:1.00
 O B:HOH1295 1.9 28.2 1.0
OE1 B:GLU209 2.0 36.8 1.0
ND1 B:HIS246 2.1 32.9 1.0
OE1 B:GLU243 2.3 28.4 1.0
OE1 B:GLU144 2.3 23.1 1.0
O7 B:BHL1201 2.3 68.7 1.0
CE1 B:HIS246 2.9 33.9 1.0
CD B:GLU209 3.0 37.5 1.0
FE B:FE1173 3.1 28.5 1.0
CD B:GLU243 3.2 33.5 1.0
CD B:GLU144 3.3 24.6 1.0
CG B:HIS246 3.3 33.2 1.0
OE2 B:GLU243 3.4 35.3 1.0
OE2 B:GLU144 3.5 25.7 1.0
CG B:GLU209 3.6 36.3 1.0
C6 B:BHL1201 3.7 68.7 1.0
CB B:HIS246 3.8 32.8 1.0
NE2 B:GLN140 3.9 31.5 1.0
OE2 B:GLU209 4.0 37.8 1.0
O B:HOH1294 4.1 26.5 1.0
NE2 B:HIS246 4.1 33.8 1.0
CD2 B:HIS246 4.3 35.0 1.0
ND1 B:HIS147 4.5 23.6 1.0
C5 B:BHL1201 4.5 68.7 1.0
CD B:GLN140 4.5 31.9 1.0
CE1 B:HIS147 4.5 24.9 1.0
CG B:GLU243 4.6 31.7 1.0
CG B:GLU144 4.7 22.8 1.0
C3 B:BHL1201 4.7 68.7 1.0
CG B:GLN140 4.7 30.8 1.0
OE1 B:GLU114 4.8 22.2 1.0
CB B:GLU209 4.8 33.3 1.0

Iron binding site 4 out of 4 in 1xvb

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Iron binding site 4 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol 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: 6-Bromohexanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1173

b:28.5
occ:1.00
 OE1 B:GLU114 2.0 22.2 1.0
ND1 B:HIS147 2.1 23.6 1.0
O B:HOH1295 2.2 28.2 1.0
O B:HOH1294 2.2 26.5 1.0
OE2 B:GLU144 2.2 25.7 1.0
O7 B:BHL1201 2.3 68.7 1.0
CD B:GLU114 3.0 25.0 1.0
CE1 B:HIS147 3.0 24.9 1.0
C6 B:BHL1201 3.0 68.7 1.0
FE B:FE1172 3.1 32.9 1.0
CD B:GLU144 3.1 24.6 1.0
CG B:HIS147 3.2 23.4 1.0
OE1 B:GLU144 3.4 23.1 1.0
OE2 B:GLU114 3.4 28.4 1.0
CB B:HIS147 3.6 24.3 1.0
OE2 B:GLU243 4.0 35.3 1.0
NE2 B:HIS147 4.2 23.8 1.0
CD2 B:HIS147 4.3 23.1 1.0
CE1 B:HIS246 4.3 33.9 1.0
CG B:GLU114 4.3 24.5 1.0
ND1 B:HIS246 4.4 32.9 1.0
C5 B:BHL1201 4.5 68.7 1.0
CG B:GLU144 4.5 22.8 1.0
OE1 B:GLU243 4.5 28.4 1.0
CB B:GLU114 4.6 23.1 1.0
CA B:GLU144 4.6 23.9 1.0
CG2 B:ILE239 4.6 23.8 1.0
CA B:GLU114 4.7 24.8 1.0
CD B:GLU243 4.7 33.5 1.0
OE1 B:GLU209 4.8 36.8 1.0
CB B:GLU144 4.9 23.4 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 17:00:39 2024

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