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Iron in PDB 1xvf: Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure

Enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure

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

Protein crystallography data

The structure of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure, PDB code: 1xvf 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) 19.98 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.829, 171.467, 221.081, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 23

Other elements in 1xvf:

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

Chlorine (Cl) 8 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 4 in 1xvf

Go back to Iron Binding Sites List in 1xvf
Iron binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol 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: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1170

b:28.4
occ:1.00
 O A:HOH2004 1.8 25.1 1.0
OE2 A:GLU209 1.9 31.4 1.0
ND1 A:HIS246 2.1 28.1 1.0
O1 A:3CL1302 2.3 63.4 0.5
OE1 A:GLU243 2.3 35.8 1.0
O1 A:3CL2002 2.3 62.6 0.5
OE1 A:GLU144 2.3 22.7 1.0
CE1 A:HIS246 2.9 28.1 1.0
CD A:GLU209 3.0 33.1 1.0
CD A:GLU243 3.1 38.5 1.0
FE A:FE1171 3.1 23.1 1.0
CG A:HIS246 3.2 26.3 1.0
OE2 A:GLU243 3.3 41.0 1.0
CD A:GLU144 3.3 22.3 1.0
C2 A:3CL1302 3.5 63.4 0.5
C2 A:3CL2002 3.5 62.6 0.5
OE2 A:GLU144 3.5 22.3 1.0
NE2 A:GLN140 3.7 23.0 1.0
CB A:HIS246 3.8 27.3 1.0
OE1 A:GLU209 3.8 32.7 1.0
CG A:GLU209 3.8 32.5 1.0
NE2 A:HIS246 4.1 25.9 1.0
O A:HOH2003 4.2 30.0 1.0
CD2 A:HIS246 4.3 23.9 1.0
C3 A:3CL1302 4.3 63.4 0.5
C3 A:3CL2002 4.4 62.6 0.5
CD A:GLN140 4.5 24.6 1.0
CG A:GLU243 4.5 35.8 1.0
ND1 A:HIS147 4.6 17.1 1.0
CE1 A:HIS147 4.6 17.1 1.0
CG A:GLU144 4.7 21.1 1.0
CG A:GLN140 4.8 23.0 1.0
CB A:GLU209 4.8 33.0 1.0
OE1 A:GLU114 4.9 22.4 1.0

Iron binding site 2 out of 4 in 1xvf

Go back to Iron Binding Sites List in 1xvf
Iron binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol 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: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1171

b:23.1
occ:1.00
 O A:HOH2004 2.0 25.1 1.0
OE1 A:GLU114 2.0 22.4 1.0
OE2 A:GLU144 2.1 22.3 1.0
ND1 A:HIS147 2.2 17.1 1.0
O A:HOH2003 2.2 30.0 1.0
O1 A:3CL1302 2.3 63.4 0.5
O1 A:3CL2002 2.3 62.6 0.5
CD A:GLU114 3.0 21.2 1.0
CE1 A:HIS147 3.0 17.1 1.0
CD A:GLU144 3.1 22.3 1.0
FE A:FE1170 3.1 28.4 1.0
CG A:HIS147 3.3 17.8 1.0
OE2 A:GLU114 3.3 22.7 1.0
C2 A:3CL2002 3.4 62.6 0.5
OE1 A:GLU144 3.4 22.7 1.0
C2 A:3CL1302 3.4 63.4 0.5
CB A:HIS147 3.7 18.0 1.0
C3 A:3CL1302 3.7 63.4 0.5
C3 A:3CL2002 3.8 62.6 0.5
OE2 A:GLU243 4.0 41.0 1.0
NE2 A:HIS147 4.2 19.3 1.0
CE1 A:HIS246 4.3 28.1 1.0
CD2 A:HIS147 4.3 18.4 1.0
CG A:GLU114 4.4 19.3 1.0
ND1 A:HIS246 4.4 28.1 1.0
OE1 A:GLU243 4.5 35.8 1.0
CG A:GLU144 4.5 21.1 1.0
OE2 A:GLU209 4.6 31.4 1.0
CG2 A:ILE239 4.7 22.8 1.0
CA A:GLU144 4.7 19.8 1.0
CB A:GLU114 4.7 18.0 1.0
CD A:GLU243 4.7 38.5 1.0
CA A:GLU114 4.7 23.5 1.0
CB A:GLU144 4.9 18.8 1.0

Iron binding site 3 out of 4 in 1xvf

Go back to Iron Binding Sites List in 1xvf
Iron binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol 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: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1174

b:28.2
occ:1.00
 O B:HOH1307 1.7 25.9 1.0
OE1 B:GLU209 2.0 30.2 1.0
ND1 B:HIS246 2.1 30.5 1.0
OE1 B:GLU243 2.3 35.4 1.0
OE1 B:GLU144 2.4 21.8 1.0
O1 B:3CL1303 2.5 45.7 1.0
CE1 B:HIS246 2.9 30.4 1.0
CD B:GLU209 3.0 31.0 1.0
FE B:FE1175 3.1 22.7 1.0
CD B:GLU144 3.3 18.7 1.0
CG B:HIS246 3.3 29.4 1.0
CD B:GLU243 3.4 38.3 1.0
OE2 B:GLU144 3.5 20.7 1.0
O B:HOH1537 3.5 46.2 1.0
CG B:GLU209 3.7 30.9 1.0
OE2 B:GLU243 3.7 41.2 1.0
C2 B:3CL1303 3.8 45.7 1.0
CB B:HIS246 3.8 29.0 1.0
C3 B:3CL1303 3.9 45.7 1.0
OE2 B:GLU209 3.9 29.1 1.0
NE2 B:GLN140 4.0 30.2 1.0
NE2 B:HIS246 4.1 30.0 1.0
O B:HOH1306 4.1 20.2 1.0
CD2 B:HIS246 4.3 28.9 1.0
ND1 B:HIS147 4.5 16.9 1.0
CE1 B:HIS147 4.5 16.9 1.0
CD B:GLN140 4.6 31.3 1.0
CG B:GLU144 4.7 19.3 1.0
CG B:GLU243 4.7 36.2 1.0
CG B:GLN140 4.7 30.1 1.0
OE1 B:GLU114 4.8 21.3 1.0
CB B:GLU209 4.9 31.2 1.0

Iron binding site 4 out of 4 in 1xvf

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

b:22.7
occ:1.00
 O B:HOH1307 1.9 25.9 1.0
OE1 B:GLU114 2.0 21.3 1.0
ND1 B:HIS147 2.1 16.9 1.0
O1 B:3CL1303 2.1 45.7 1.0
OE2 B:GLU144 2.2 20.7 1.0
O B:HOH1306 2.3 20.2 1.0
CE1 B:HIS147 3.0 16.9 1.0
CD B:GLU114 3.0 20.9 1.0
FE B:FE1174 3.1 28.2 1.0
C2 B:3CL1303 3.1 45.7 1.0
CD B:GLU144 3.1 18.7 1.0
CG B:HIS147 3.2 14.6 1.0
OE2 B:GLU114 3.4 24.2 1.0
OE1 B:GLU144 3.4 21.8 1.0
CB B:HIS147 3.6 17.2 1.0
O B:HOH1537 3.8 46.2 1.0
C3 B:3CL1303 4.1 45.7 1.0
NE2 B:HIS147 4.1 19.4 1.0
CE1 B:HIS246 4.2 30.4 1.0
OE2 B:GLU243 4.2 41.2 1.0
CD2 B:HIS147 4.3 15.9 1.0
CG B:GLU114 4.4 21.1 1.0
ND1 B:HIS246 4.4 30.5 1.0
OE1 B:GLU243 4.5 35.4 1.0
CG B:GLU144 4.5 19.3 1.0
CA B:GLU144 4.6 20.0 1.0
CG2 B:ILE239 4.6 14.9 1.0
OE1 B:GLU209 4.6 30.2 1.0
CB B:GLU114 4.7 19.1 1.0
CA B:GLU114 4.8 21.2 1.0
CD B:GLU243 4.8 38.3 1.0
CB B:GLU144 4.9 17.4 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: Sun Dec 13 14:36:16 2020

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