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

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

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

Iron

(Fe)

2 atoms

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 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 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 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 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

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