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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 1xve:

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

Bromine (Br) 10 atoms
Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol Soaked Structure, PDB code: 1xve:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1xve

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Iron binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol 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: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1170

b:39.2
occ:1.00
 O A:HOH1177 1.9 38.0 1.0
OE2 A:GLU209 1.9 56.4 1.0
O5 A:3BB1172 2.1 78.7 1.0
ND1 A:HIS246 2.2 32.6 1.0
OE1 A:GLU243 2.6 63.9 1.0
OE1 A:GLU144 2.6 33.8 1.0
CE1 A:HIS246 3.0 32.7 1.0
C4 A:3BB1172 3.0 79.8 1.0
CD A:GLU209 3.1 55.0 1.0
FE A:FE1171 3.2 37.2 1.0
CG A:HIS246 3.4 33.2 1.0
CD A:GLU243 3.4 64.4 1.0
CD A:GLU144 3.6 31.3 1.0
NE2 A:GLN140 3.6 33.0 1.0
OE2 A:GLU243 3.6 64.7 1.0
OE2 A:GLU144 3.7 29.2 1.0
CG A:GLU209 3.8 53.9 1.0
CB A:HIS246 3.8 35.5 1.0
OE1 A:GLU209 4.1 53.8 1.0
NE2 A:HIS246 4.2 32.6 1.0
C3 A:3BB1172 4.2 82.0 1.0
O A:HOH1176 4.2 34.1 1.0
CD2 A:HIS246 4.4 31.4 1.0
CD A:GLN140 4.4 34.7 1.0
ND1 A:HIS147 4.6 32.2 1.0
CG A:GLN140 4.6 31.8 1.0
CE1 A:HIS147 4.7 33.4 1.0
OE1 A:GLU114 4.7 38.4 1.0
CG A:GLU243 4.8 63.5 1.0
CB A:GLU209 4.9 53.9 1.0
CG A:GLU144 5.0 27.6 1.0

Iron binding site 2 out of 4 in 1xve

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Iron binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol 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: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1171

b:37.2
occ:1.00
 OE1 A:GLU114 1.9 38.4 1.0
ND1 A:HIS147 2.2 32.2 1.0
O5 A:3BB1172 2.2 78.7 1.0
O A:HOH1177 2.4 38.0 1.0
O A:HOH1176 2.4 34.1 1.0
OE2 A:GLU144 2.5 29.2 1.0
CD A:GLU114 2.8 38.5 1.0
C4 A:3BB1172 2.9 79.8 1.0
OE2 A:GLU114 2.9 40.8 1.0
CE1 A:HIS147 3.1 33.4 1.0
CG A:HIS147 3.2 31.9 1.0
FE A:FE1170 3.2 39.2 1.0
CD A:GLU144 3.5 31.3 1.0
CB A:HIS147 3.5 30.4 1.0
OE1 A:GLU144 3.7 33.8 1.0
C3 A:3BB1172 3.9 82.0 1.0
CG A:GLU114 4.2 37.1 1.0
NE2 A:HIS147 4.2 32.9 1.0
OE2 A:GLU243 4.3 64.7 1.0
CD2 A:HIS147 4.3 31.9 1.0
CE1 A:HIS246 4.4 32.7 1.0
ND1 A:HIS246 4.6 32.6 1.0
CG2 A:ILE239 4.6 19.5 1.0
CB A:GLU114 4.6 32.6 1.0
OE1 A:GLU243 4.7 63.9 1.0
CA A:GLU114 4.8 28.9 1.0
CA A:GLU144 4.8 24.2 1.0
CG A:GLU144 4.9 27.6 1.0
OE2 A:GLU209 4.9 56.4 1.0
CD A:GLU243 4.9 64.4 1.0
C2 A:3BB1172 5.0 84.0 1.0

Iron binding site 3 out of 4 in 1xve

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Iron binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol 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: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1174

b:44.8
occ:1.00
 O5 B:3BB1176 2.0 0.9 1.0
ND1 B:HIS246 2.0 44.9 1.0
O B:HOH1180 2.1 33.0 1.0
OE1 B:GLU209 2.2 59.9 1.0
OE1 B:GLU144 2.6 41.8 1.0
OE1 B:GLU243 2.7 40.8 1.0
CE1 B:HIS246 2.8 44.6 1.0
FE B:FE1175 3.0 37.3 1.0
C4 B:3BB1176 3.0 0.2 1.0
CD B:GLU209 3.1 60.2 1.0
CG B:HIS246 3.2 44.5 1.0
CD B:GLU144 3.5 39.5 1.0
OE2 B:GLU144 3.6 39.3 1.0
CD B:GLU243 3.6 44.2 1.0
CB B:HIS246 3.7 44.9 1.0
CG B:GLU209 3.8 58.6 1.0
OE2 B:GLU243 3.9 44.1 1.0
NE2 B:HIS246 4.0 45.0 1.0
NE2 B:GLN140 4.0 37.1 1.0
OE2 B:GLU209 4.0 59.9 1.0
O B:HOH1179 4.0 34.9 1.0
C3 B:3BB1176 4.1 0.1 1.0
O B:HOH1232 4.1 64.0 1.0
CD2 B:HIS246 4.2 43.2 1.0
CD B:GLN140 4.5 35.1 1.0
ND1 B:HIS147 4.5 31.0 1.0
CE1 B:HIS147 4.6 31.2 1.0
CG B:GLN140 4.6 34.5 1.0
OE1 B:GLU114 4.7 39.5 1.0
CG B:GLU144 4.9 38.8 1.0
CG B:GLU243 5.0 44.7 1.0
CB B:GLU209 5.0 56.9 1.0

Iron binding site 4 out of 4 in 1xve

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Iron binding site 4 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 3-Bromo-3- Butenol 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: 3-Bromo-3- Butenol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1175

b:37.3
occ:1.00
 OE1 B:GLU114 2.0 39.5 1.0
O B:HOH1179 2.0 34.9 1.0
O5 B:3BB1176 2.0 0.9 1.0
ND1 B:HIS147 2.1 31.0 1.0
O B:HOH1180 2.3 33.0 1.0
OE2 B:GLU144 2.4 39.3 1.0
C4 B:3BB1176 2.8 0.2 1.0
CE1 B:HIS147 3.0 31.2 1.0
FE B:FE1174 3.0 44.8 1.0
CD B:GLU114 3.0 38.4 1.0
CG B:HIS147 3.3 30.1 1.0
CD B:GLU144 3.3 39.5 1.0
OE2 B:GLU114 3.4 42.6 1.0
OE1 B:GLU144 3.5 41.8 1.0
CB B:HIS147 3.7 27.6 1.0
C3 B:3BB1176 3.9 0.1 1.0
CE1 B:HIS246 4.0 44.6 1.0
O B:HOH1232 4.1 64.0 1.0
NE2 B:HIS147 4.1 30.6 1.0
ND1 B:HIS246 4.2 44.9 1.0
CD2 B:HIS147 4.3 28.8 1.0
CG B:GLU114 4.4 35.1 1.0
OE2 B:GLU243 4.4 44.1 1.0
CA B:GLU144 4.6 27.1 1.0
OE1 B:GLU243 4.6 40.8 1.0
CB B:GLU114 4.7 32.6 1.0
CG2 B:ILE239 4.7 32.6 1.0
CG B:GLU144 4.7 38.8 1.0
CA B:GLU114 4.8 36.3 1.0
OE1 B:GLU209 4.8 59.9 1.0
CD B:GLU243 4.9 44.2 1.0
C2 B:3BB1176 5.0 0.7 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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