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Chlorine 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:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure (pdb code 1xvf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure, PDB code: 1xvf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1xvf

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Chlorine binding site 1 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1300

b:46.9
occ:1.00
 CL5 A:3CL1300 0.0 46.9 1.0
C4 A:3CL1300 1.5 46.9 1.0
C3 A:3CL1300 2.5 46.9 1.0
CD2 A:LEU286 3.4 58.6 1.0
CG1 A:VAL285 3.5 21.1 1.0
C2 A:3CL1300 3.7 46.9 1.0
CD1 A:PHE282 3.8 54.9 1.0
N A:LEU286 3.8 31.5 1.0
CE1 A:PHE282 3.9 57.9 1.0
CB A:VAL285 4.0 21.7 1.0
CE2 A:TYR281 4.0 21.6 1.0
CA A:LEU286 4.1 34.4 1.0
CG A:LEU286 4.3 55.9 1.0
CB A:LEU286 4.3 51.7 1.0
C A:VAL285 4.3 23.1 1.0
CD1 A:LEU286 4.3 55.9 1.0
CD1 A:LEU289 4.4 22.4 1.0
CD2 A:TYR281 4.4 20.1 1.0
CA A:VAL285 4.8 19.9 1.0
SD A:MET184 4.8 25.2 1.0
O A:VAL285 4.8 20.6 1.0
O1 A:3CL1300 4.8 46.9 1.0
CG A:PHE282 4.8 51.5 1.0
CA A:PHE282 4.8 29.4 1.0

Chlorine binding site 2 out of 8 in 1xvf

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Chlorine binding site 2 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1301

b:28.5
occ:1.00
 CL5 A:3CL1301 0.0 28.5 1.0
C4 A:3CL1301 1.8 28.5 1.0
C3 A:3CL1301 2.7 28.5 1.0
CE1 A:TYR347 3.5 26.4 1.0
CG A:MET288 3.6 28.5 1.0
CE A:MET288 3.6 26.6 1.0
CD1 A:TYR347 3.8 25.0 1.0
O A:MET288 3.9 29.3 1.0
CD2 A:LEU289 3.9 23.4 1.0
CD2 A:LEU361 4.0 24.3 1.0
C2 A:3CL1301 4.0 28.5 1.0
SD A:MET288 4.1 27.0 1.0
C A:MET288 4.2 30.2 1.0
CA A:LEU289 4.2 26.5 1.0
N A:LEU289 4.4 26.0 1.0
CB A:TYR292 4.5 23.3 1.0
CB A:MET288 4.7 26.2 1.0
CG A:LEU289 4.7 24.7 1.0
CZ A:TYR347 4.8 25.2 1.0
N A:GLY293 4.8 24.4 1.0
C A:TYR292 4.9 23.5 1.0

Chlorine binding site 3 out of 8 in 1xvf

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Chlorine binding site 3 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1302

b:63.4
occ:0.50
 CL5 A:3CL1302 0.0 63.4 0.5
C4 A:3CL1302 1.7 63.4 0.5
C4 A:3CL2002 2.3 62.6 0.5
C3 A:3CL2002 2.6 62.6 0.5
C3 A:3CL1302 2.6 63.4 0.5
C2 A:3CL1302 2.9 63.4 0.5
C2 A:3CL2002 3.0 62.6 0.5
CG A:GLU209 3.0 32.5 1.0
OG1 A:THR213 3.2 44.9 1.0
CD1 A:LEU204 3.5 21.7 1.0
CZ A:PHE192 3.6 20.3 1.0
CL5 A:3CL2002 3.6 62.6 0.5
O1 A:3CL2002 3.7 62.6 0.5
O1 A:3CL1302 3.8 63.4 0.5
CD A:GLU209 3.9 33.1 1.0
O A:LEU204 3.9 23.4 1.0
N A:GLU209 3.9 31.5 1.0
CB A:THR213 4.0 42.9 1.0
CE1 A:PHE192 4.0 21.1 1.0
OE2 A:GLU209 4.0 31.4 1.0
C A:GLY208 4.1 30.0 1.0
CB A:GLU209 4.2 33.0 1.0
CA A:GLU209 4.2 32.5 1.0
CG2 A:THR213 4.3 44.6 1.0
CE1 A:PHE188 4.3 38.4 1.0
O A:GLY208 4.5 28.7 1.0
CE2 A:PHE192 4.5 22.3 1.0
CA A:GLY208 4.6 30.2 1.0
CZ A:PHE188 4.6 37.5 1.0
CG A:LEU204 4.7 22.1 1.0
C A:LEU204 4.8 22.8 1.0
OE1 A:GLU209 4.9 32.7 1.0
CD1 A:PHE188 4.9 35.2 1.0
CA A:LEU204 5.0 23.0 1.0

Chlorine binding site 4 out of 8 in 1xvf

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Chlorine binding site 4 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2002

b:62.6
occ:0.50
 CL5 A:3CL2002 0.0 62.6 0.5
C4 A:3CL2002 1.7 62.6 0.5
C4 A:3CL1302 2.0 63.4 0.5
C3 A:3CL2002 2.5 62.6 0.5
C3 A:3CL1302 2.6 63.4 0.5
CE2 A:PHE188 2.9 37.3 1.0
CZ A:PHE188 3.0 37.5 1.0
CD1 A:LEU110 3.1 22.5 1.0
CD2 A:PHE188 3.4 36.0 1.0
CE1 A:PHE188 3.6 38.4 1.0
CL5 A:3CL1302 3.6 63.4 0.5
CA A:GLY113 3.7 18.5 1.0
C2 A:3CL2002 3.8 62.6 0.5
C2 A:3CL1302 3.8 63.4 0.5
CG A:PHE188 3.9 33.9 1.0
C A:GLY113 3.9 20.7 1.0
CD1 A:PHE188 3.9 35.2 1.0
OG1 A:THR213 4.1 44.9 1.0
O A:LEU110 4.1 23.0 1.0
N A:GLU114 4.1 23.5 1.0
CG A:LEU110 4.5 21.6 1.0
CE1 A:PHE192 4.5 21.1 1.0
O A:GLY113 4.5 19.9 1.0
CG2 A:THR213 4.6 44.6 1.0
N A:GLY113 4.6 19.8 1.0
CZ A:PHE192 4.7 20.3 1.0
O1 A:3CL2002 4.7 62.6 0.5
CA A:LEU110 4.7 22.1 1.0
CD A:GLU114 4.7 21.2 1.0
OE2 A:GLU114 4.7 22.7 1.0
O1 A:3CL1302 4.8 63.4 0.5
C A:LEU110 4.8 22.5 1.0
OE1 A:GLU114 5.0 22.4 1.0
CB A:THR213 5.0 42.9 1.0
CB A:PHE188 5.0 30.8 1.0

Chlorine binding site 5 out of 8 in 1xvf

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Chlorine binding site 5 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1303

b:45.7
occ:1.00
 CL5 B:3CL1303 0.0 45.7 1.0
C4 B:3CL1303 1.8 45.7 1.0
OG1 B:THR213 2.2 55.9 1.0
C3 B:3CL1303 2.6 45.7 1.0
CB B:THR213 3.1 52.5 1.0
CG2 B:THR213 3.2 54.9 1.0
CZ B:PHE188 3.3 30.0 1.0
CE1 B:PHE188 3.5 31.4 1.0
C2 B:3CL1303 3.7 45.7 1.0
O B:HOH1537 3.7 46.2 1.0
CG B:GLU209 4.0 30.9 1.0
O B:GLY208 4.1 35.6 1.0
C B:GLY208 4.1 34.9 1.0
CZ B:PHE192 4.1 23.1 1.0
N B:GLU209 4.3 27.4 1.0
CE2 B:PHE188 4.3 31.8 1.0
CA B:THR213 4.4 38.1 1.0
CA B:GLU209 4.4 27.2 1.0
O1 B:3CL1303 4.5 45.7 1.0
CD1 B:PHE188 4.5 29.8 1.0
CE1 B:PHE192 4.6 24.3 1.0
CA B:GLY208 4.7 33.1 1.0
N B:THR213 4.7 35.2 1.0
CB B:GLU209 4.9 31.2 1.0
O B:LEU204 4.9 26.7 1.0
CD1 B:LEU204 4.9 26.9 1.0

Chlorine binding site 6 out of 8 in 1xvf

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Chlorine binding site 6 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1304

b:20.5
occ:1.00
 CL5 B:3CL1304 0.0 20.5 1.0
C4 B:3CL1304 1.8 20.5 1.0
C3 B:3CL1304 2.8 20.5 1.0
CD2 B:LEU289 3.6 24.3 1.0
CE1 B:TYR347 3.8 20.8 1.0
CG B:MET288 3.8 22.9 1.0
O B:MET288 3.8 19.3 1.0
CA B:LEU289 4.0 23.4 1.0
CD1 B:TYR347 4.1 18.1 1.0
CE B:MET288 4.1 21.6 1.0
C2 B:3CL1304 4.2 20.5 1.0
C B:MET288 4.2 20.4 1.0
CD2 B:LEU361 4.2 20.6 1.0
N B:LEU289 4.3 23.2 1.0
CB B:TYR292 4.4 20.7 1.0
SD B:MET288 4.4 21.8 1.0
O1 B:3CL1304 4.4 20.5 1.0
N B:GLY293 4.5 20.5 1.0
C B:TYR292 4.5 21.6 1.0
CG B:LEU289 4.6 23.6 1.0
CA B:GLY293 4.6 21.2 1.0
O B:TYR292 4.7 22.1 1.0
CB B:LEU289 4.8 21.4 1.0
CB B:MET288 4.9 21.3 1.0
CZ B:TYR347 5.0 21.1 1.0
O B:LEU289 5.0 22.9 1.0
C B:LEU289 5.0 22.8 1.0

Chlorine binding site 7 out of 8 in 1xvf

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Chlorine binding site 7 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1305

b:41.0
occ:1.00
 CL5 B:3CL1305 0.0 41.0 1.0
C4 B:3CL1305 1.8 41.0 1.0
C3 B:3CL1305 2.7 41.0 1.0
CD2 B:LEU286 3.3 39.9 1.0
CD1 B:PHE282 3.4 41.0 1.0
CE1 B:PHE282 3.5 43.3 1.0
CG1 B:VAL285 3.6 16.3 1.0
CG B:LEU286 4.0 39.2 1.0
C2 B:3CL1305 4.1 41.0 1.0
N B:LEU286 4.1 18.6 1.0
CE2 B:TYR281 4.1 21.9 1.0
CD1 B:LEU289 4.1 21.1 1.0
CA B:LEU286 4.2 20.7 1.0
CB B:LEU286 4.2 33.1 1.0
CB B:VAL285 4.3 18.8 1.0
CD2 B:TYR281 4.6 21.3 1.0
C B:VAL285 4.6 21.4 1.0
SD B:MET184 4.6 25.6 1.0
CG B:PHE282 4.7 38.1 1.0
CZ B:PHE282 4.8 44.1 1.0

Chlorine binding site 8 out of 8 in 1xvf

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Chlorine binding site 8 out of 8 in the Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1306

b:53.6
occ:1.00
 CL5 D:3CL1306 0.0 53.6 1.0
C4 D:3CL1306 1.8 53.6 1.0
C3 D:3CL1306 2.8 53.6 1.0
CB D:ASP121 3.1 30.4 1.0
CG D:ASP121 3.4 33.4 1.0
OD1 D:ASP121 3.5 34.7 1.0
CA D:ARG118 3.7 28.7 1.0
O D:HOH1322 3.8 28.6 1.0
O D:HOH1404 3.9 35.6 1.0
CG D:ARG118 4.0 32.7 1.0
CB D:ARG118 4.1 29.7 1.0
CD D:ARG118 4.1 34.5 1.0
C2 D:3CL1306 4.1 53.6 1.0
OD2 D:ASP121 4.2 34.3 1.0
O D:ARG118 4.2 30.3 1.0
O D:TRP117 4.3 21.2 1.0
C D:ARG118 4.4 29.1 1.0
N D:ARG118 4.4 25.9 1.0
O D:HOH1350 4.5 30.9 1.0
CA D:ASP121 4.6 26.2 1.0
C D:TRP117 4.7 21.8 1.0
NH1 D:ARG118 4.9 34.0 1.0
N D:ASP121 5.0 27.0 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 Jul 20 04:03:46 2024

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