Chlorine in PDB 6vk6: Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase

Protein crystallography data

The structure of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase, PDB code: 6vk6 was solved by J.C.Jones, R.Banerjee, K.Shi, H.Aihara, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.01 / 1.52
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 63.071, 292.634, 141.786, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 16.4

Other elements in 6vk6:

The structure of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase (pdb code 6vk6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase, PDB code: 6vk6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6vk6

Go back to Chlorine Binding Sites List in 6vk6
Chlorine binding site 1 out of 4 in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:71.6
occ:1.00
HG12 B:VAL207 3.4 26.2 1.0
O B:PRO208 3.6 24.5 1.0
H21 B:EDO404 3.6 50.3 1.0
HA3 B:GLY209 3.7 33.0 1.0
C B:GLY209 3.7 26.8 1.0
OD2 B:ASP145 3.8 30.0 1.0
HH21 B:ARG144 3.8 31.7 1.0
HA B:PHE210 3.8 24.6 1.0
O B:GLY209 3.8 26.5 1.0
N B:PHE210 3.9 22.1 1.0
HB2 B:PHE210 3.9 22.5 1.0
HG11 B:VAL207 4.0 26.2 1.0
CG1 B:VAL207 4.1 21.8 1.0
OD1 B:ASP145 4.1 23.8 1.0
H22 B:EDO404 4.1 50.3 1.0
CG B:ASP145 4.2 24.4 1.0
H B:PHE210 4.2 26.6 1.0
CA B:GLY209 4.2 27.5 1.0
CA B:PHE210 4.2 20.5 1.0
O B:HOH583 4.3 44.6 1.0
NH2 B:ARG144 4.3 26.4 1.0
HG13 B:VAL207 4.4 26.2 1.0
C2 B:EDO404 4.4 41.9 1.0
HD2 B:PHE210 4.4 25.1 1.0
HH22 B:ARG144 4.5 31.7 1.0
C B:PRO208 4.5 23.8 1.0
CB B:PHE210 4.6 18.7 1.0
HE B:ARG144 4.8 26.0 1.0
N B:GLY209 4.8 27.1 1.0

Chlorine binding site 2 out of 4 in 6vk6

Go back to Chlorine Binding Sites List in 6vk6
Chlorine binding site 2 out of 4 in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:57.6
occ:1.00
HD1 B:PHE41 3.1 19.1 1.0
O A:HOH1189 3.2 26.3 1.0
HD21 B:LEU70 3.4 27.1 1.0
OH B:TYR58 3.6 19.8 1.0
HD11 B:LEU70 3.9 25.8 1.0
CD1 B:PHE41 3.9 15.9 1.0
HH B:TYR58 3.9 23.8 1.0
HD22 B:LEU70 4.0 27.1 1.0
O B:PHE41 4.1 19.3 1.0
CD2 B:LEU70 4.1 22.6 1.0
O B:HOH520 4.1 55.2 1.0
HB2 B:PHE41 4.2 21.2 1.0
HE1 B:PHE41 4.2 22.6 1.0
O B:HOH845 4.3 50.8 1.0
CZ B:TYR58 4.3 17.5 1.0
HE2 B:TYR58 4.3 23.5 1.0
HD13 B:LEU70 4.4 25.8 1.0
HH11 A:ARG173 4.5 22.4 1.0
CE1 B:PHE41 4.5 18.8 1.0
CD1 B:LEU70 4.5 21.5 1.0
CE2 B:TYR58 4.6 19.6 1.0
HG3 B:GLN43 4.7 50.8 1.0
O B:HOH678 4.7 22.5 1.0
HD23 B:LEU70 4.8 27.1 1.0
O B:HOH543 4.9 19.5 1.0
CG B:PHE41 4.9 15.4 1.0
C B:PHE41 5.0 19.5 1.0
CB B:PHE41 5.0 17.7 1.0
OE1 B:GLN43 5.0 55.0 1.0
HA B:ILE42 5.0 20.6 1.0
CG B:LEU70 5.0 18.0 1.0

Chlorine binding site 3 out of 4 in 6vk6

Go back to Chlorine Binding Sites List in 6vk6
Chlorine binding site 3 out of 4 in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:69.0
occ:1.00
HB2 C:SER47 3.4 26.9 1.0
HB1 C:ALA39 3.4 24.3 1.0
HB2 C:LYS46 3.6 24.7 1.0
HB3 C:SER47 3.7 26.9 1.0
HH C:TYR40 4.0 29.0 1.0
HB3 C:LYS46 4.0 24.7 1.0
CB C:SER47 4.0 22.5 1.0
HE1 C:TYR40 4.2 22.7 1.0
CB C:LYS46 4.2 20.6 1.0
CB C:ALA39 4.3 20.3 1.0
OH C:TYR40 4.3 24.1 1.0
HB2 C:ALA39 4.4 24.3 1.0
CE1 C:TYR40 4.4 18.9 1.0
HG C:SER47 4.5 30.2 1.0
CZ C:TYR40 4.5 23.1 1.0
HA C:ALA39 4.7 21.5 1.0
OG C:SER47 4.8 25.2 1.0
C C:LYS46 4.9 20.4 1.0
HB3 C:ALA39 4.9 24.3 1.0
HG3 C:LYS46 4.9 35.8 1.0
O C:ALA39 4.9 18.1 1.0
N C:SER47 5.0 18.5 1.0
O C:LYS46 5.0 23.0 1.0

Chlorine binding site 4 out of 4 in 6vk6

Go back to Chlorine Binding Sites List in 6vk6
Chlorine binding site 4 out of 4 in the Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Methylosinus Trichosporium OB3B Soluble Methane Monooxygenase Hydroxylase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:63.9
occ:1.00
O C:HOH419 2.8 25.9 1.0
HG2 C:GLU86 3.0 24.1 1.0
HA C:GLU86 3.1 22.3 1.0
CG C:GLU86 3.8 20.1 1.0
O C:HOH455 3.8 50.0 1.0
CA C:GLU86 3.9 18.6 1.0
HG3 C:GLU86 4.0 24.1 1.0
HB3 C:GLU86 4.1 22.2 1.0
H C:ASP87 4.1 23.0 1.0
CB C:GLU86 4.2 18.5 1.0
O C:HOH469 4.3 42.6 1.0
O C:GLY85 4.7 25.9 1.0
N C:GLU86 4.7 20.4 1.0
N C:ASP87 4.8 19.2 1.0
C C:GLU86 5.0 19.9 1.0

Reference:

J.C.Jones, R.Banerjee, K.Shi, H.Aihara, J.D.Lipscomb. Structural Studies of Themethylosinus TRICHOSPORIUMOB3B Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal A Transient Substrate Tunnel. Biochemistry V. 59 2946 2020.
ISSN: ISSN 0006-2960
PubMed: 32692178
DOI: 10.1021/ACS.BIOCHEM.0C00459
Page generated: Sat Dec 12 14:20:13 2020

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