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Bromine in PDB 1xvc: Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure

Enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure:
1.14.13.25;

Protein crystallography data

The structure of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure, PDB code: 1xvc 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) 29.79 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.411, 171.031, 221.434, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 23.4

Other elements in 1xvc:

The structure of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure (pdb code 1xvc). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure, PDB code: 1xvc:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1xvc

Go back to Bromine Binding Sites List in 1xvc
Bromine binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1028

b:81.4
occ:1.00
 CD2 A:LEU405 3.7 56.5 1.0
CB A:CYS517 3.8 50.4 1.0
CE2 A:PHE519 3.8 35.8 1.0
CZ A:PHE519 3.8 36.1 1.0
CD2 A:PHE519 3.9 38.0 1.0
CE1 A:PHE519 3.9 36.1 1.0
CG A:PHE519 3.9 38.9 1.0
CD1 A:PHE519 3.9 35.5 1.0
C A:VAL518 4.0 42.8 1.0
N A:PHE519 4.0 40.9 1.0
C A:CYS517 4.1 46.6 1.0
O A:VAL518 4.2 41.7 1.0
O A:CYS517 4.2 45.8 1.0
N A:VAL518 4.2 44.5 1.0
CA A:PHE519 4.3 39.4 1.0
CB A:LEU478 4.4 35.8 1.0
CA A:VAL518 4.6 43.5 1.0
CA A:CYS517 4.6 48.5 1.0
CD2 A:LEU478 4.6 34.3 1.0
CD1 A:LEU478 4.6 34.9 1.0
CB A:PHE519 4.7 40.2 1.0
CG A:LEU478 4.8 37.2 1.0
O A:HOH1698 4.8 36.2 1.0

Bromine binding site 2 out of 4 in 1xvc

Go back to Bromine Binding Sites List in 1xvc
Bromine binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1628

b:73.3
occ:1.00
 BR1 A:5BR1628 0.0 73.3 1.0
C1 A:5BR1628 1.9 73.3 1.0
C2 A:5BR1628 2.8 73.3 1.0
CD2 A:LEU286 4.1 38.2 1.0
CD1 A:LEU289 4.2 48.9 1.0
C3 A:5BR1628 4.2 73.3 1.0
CA A:VAL106 4.3 27.1 1.0
CG2 A:VAL106 4.6 26.1 1.0
O A:VAL106 4.6 26.2 1.0
CG1 A:VAL106 4.6 27.0 1.0
CE1 A:PHE282 4.6 41.3 1.0
CB A:PHE109 4.7 25.7 1.0
CD2 A:LEU216 4.7 49.8 1.0
CB A:VAL106 4.7 28.2 1.0
SD A:MET184 4.8 31.1 1.0
C A:VAL106 5.0 25.6 1.0

Bromine binding site 3 out of 4 in 1xvc

Go back to Bromine Binding Sites List in 1xvc
Bromine binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1701

b:64.0
occ:1.00
 CE1 B:PHE519 3.7 40.9 1.0
CD1 B:PHE519 3.7 41.2 1.0
CZ B:PHE519 3.7 39.6 1.0
CB B:CYS517 3.8 46.2 1.0
CG B:PHE519 3.9 40.6 1.0
CE2 B:PHE519 3.9 40.0 1.0
CD2 B:PHE519 3.9 40.9 1.0
C B:VAL518 3.9 40.6 1.0
N B:PHE519 4.0 39.9 1.0
C B:CYS517 4.0 43.1 1.0
O B:VAL518 4.1 39.3 1.0
O B:CYS517 4.1 42.8 1.0
N B:VAL518 4.1 42.1 1.0
CA B:PHE519 4.2 40.5 1.0
CB B:LEU478 4.3 38.2 1.0
CD2 B:LEU405 4.3 39.3 1.0
CA B:VAL518 4.4 40.9 1.0
CA B:CYS517 4.5 44.4 1.0
CD2 B:LEU478 4.6 35.0 1.0
CB B:PHE519 4.7 40.9 1.0
CD1 B:LEU478 4.8 33.6 1.0
CG B:LEU478 4.8 36.7 1.0
CD1 B:LEU405 4.9 40.5 1.0

Bromine binding site 4 out of 4 in 1xvc

Go back to Bromine Binding Sites List in 1xvc
Bromine binding site 4 out of 4 in the Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1266

b:49.3
occ:1.00
 BR B:BMM1266 0.0 49.3 1.0
C1 B:BMM1266 1.9 49.3 1.0
CG1 B:VAL285 3.8 23.6 1.0
CB B:LEU180 3.8 30.4 1.0
CE B:MET288 3.9 31.0 1.0
CG1 B:VAL105 4.0 26.2 1.0
CD1 B:LEU180 4.0 36.2 1.0
CD2 B:LEU180 4.1 34.5 1.0
CE2 B:PHE109 4.1 26.7 1.0
OH B:TYR281 4.1 28.1 1.0
CG B:LEU180 4.2 32.4 1.0
CD2 B:LEU289 4.4 34.9 1.0
CD2 B:PHE109 4.6 27.2 1.0
CG2 B:VAL285 4.6 24.7 1.0
CG B:LEU289 4.7 34.2 1.0
CB B:VAL285 4.8 26.6 1.0
CD1 B:LEU289 4.9 31.8 1.0
CZ B:PHE109 4.9 27.5 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: Wed Jul 10 17:31:04 2024

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