Chlorine in PDB 6mro: Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.

Protein crystallography data

The structure of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53., PDB code: 6mro was solved by S.Singh, F.Forouhar, C.Wang, J.F.Hunt, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.99 / 1.60
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 40.990, 40.990, 104.850, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 21

Other elements in 6mro:

The structure of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. (pdb code 6mro). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53., PDB code: 6mro:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6mro

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Chlorine binding site 1 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


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 Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:80.1
occ:1.00
OXT A:LYS194 2.9 53.3 1.0
CE1 A:HIS125 3.4 35.2 1.0
C A:LYS194 3.7 49.1 1.0
CG A:LYS194 3.9 36.1 1.0
O A:LYS194 4.0 56.8 1.0
NE2 A:HIS125 4.1 39.6 1.0
O A:LEU165 4.4 38.0 1.0
ND1 A:HIS125 4.5 35.0 1.0
CE A:LYS194 4.7 35.4 1.0
CA A:LYS194 4.7 39.6 1.0
CB A:LYS194 4.9 35.3 1.0
CD A:LYS194 4.9 34.6 1.0

Chlorine binding site 2 out of 8 in 6mro

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Chlorine binding site 2 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


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 Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:51.9
occ:1.00
O A:PRO18 3.0 18.3 1.0
O A:HOH351 3.1 46.0 1.0
CB A:GLN23 3.8 22.2 1.0
C A:PRO18 3.9 18.0 1.0
CD2 A:HIS17 4.0 24.0 1.0
CA A:PRO20 4.1 21.3 1.0
N A:PRO20 4.1 18.0 1.0
CD A:PRO18 4.2 21.6 1.0
CG A:GLN23 4.3 34.4 1.0
CB A:PRO18 4.3 19.5 1.0
C A:GLN19 4.3 17.2 1.0
O A:GLN19 4.3 19.4 1.0
N A:PRO18 4.4 19.1 1.0
CG A:PRO20 4.4 25.3 1.0
CD A:PRO20 4.4 19.8 1.0
CA A:PRO18 4.4 18.0 1.0
CG A:PRO18 4.6 23.7 1.0
CB A:HIS17 4.7 23.5 1.0
CB A:PRO20 4.7 24.0 1.0
CG A:HIS17 4.7 20.9 1.0
N A:GLN19 4.8 18.5 1.0
OE1 A:GLN23 4.9 46.2 1.0

Chlorine binding site 3 out of 8 in 6mro

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Chlorine binding site 3 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


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 Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:73.7
occ:1.00
ND2 A:ASN87 3.1 30.9 1.0
O A:HOH440 3.5 42.3 1.0
CB A:ASN87 3.5 26.9 1.0
OE1 A:GLU90 3.5 56.1 1.0
CG A:ASN87 3.8 27.0 1.0
OE2 A:GLU90 3.9 57.6 1.0
CD2 A:LEU62 3.9 35.9 1.0
CD A:GLU90 4.0 54.9 1.0
O A:HOH422 4.2 46.5 1.0
CA A:ASN87 4.7 26.1 1.0
N A:ASN87 4.9 27.7 1.0

Chlorine binding site 4 out of 8 in 6mro

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Chlorine binding site 4 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


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 Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:79.4
occ:1.00
O A:SER178 3.5 23.8 1.0
CB A:ASP177 3.9 21.4 1.0
CE1 A:HIS17 4.0 23.4 1.0
CG A:ASP177 4.1 23.5 1.0
N A:SER178 4.1 18.9 1.0
O A:GLY183 4.1 40.5 1.0
OD2 A:ASP177 4.2 23.2 1.0
C A:SER178 4.3 25.4 1.0
CG2 A:ILE15 4.4 23.8 1.0
NE2 A:HIS17 4.4 25.7 1.0
O A:HOH413 4.4 27.3 1.0
CA A:ASP177 4.5 18.5 1.0
OD1 A:ASP177 4.6 27.0 1.0
C A:ASP177 4.6 19.0 1.0
CA A:SER178 4.8 23.1 1.0
C A:GLY183 4.9 42.4 1.0

Chlorine binding site 5 out of 8 in 6mro

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Chlorine binding site 5 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:84.3
occ:1.00
O A:GLU115 4.7 46.8 0.6
O A:GLU115 4.7 46.9 0.4
OE2 A:GLU116 4.7 63.5 1.0

Chlorine binding site 6 out of 8 in 6mro

Go back to Chlorine Binding Sites List in 6mro
Chlorine binding site 6 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:74.2
occ:1.00
O A:HOH307 3.1 50.2 1.0
CG A:GLU90 4.2 49.1 1.0
CB A:GLU90 5.0 42.2 1.0

Chlorine binding site 7 out of 8 in 6mro

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Chlorine binding site 7 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:65.3
occ:1.00
O A:HOH301 2.9 47.1 1.0
N A:GLU146 3.1 32.9 1.0
CA A:GLU146 3.8 34.7 1.0
CB A:GLU146 3.9 36.4 1.0
CE2 A:TYR147 3.9 52.9 1.0
C A:GLU146 4.0 39.5 1.0
CZ A:TYR147 4.1 54.5 1.0
C A:GLY145 4.2 35.0 1.0
CD2 A:TYR147 4.2 49.4 1.0
CA A:GLY145 4.2 36.2 1.0
N A:TYR147 4.3 44.1 1.0
O A:GLU146 4.3 38.2 1.0
CE1 A:TYR147 4.5 52.4 1.0
OH A:TYR147 4.5 60.1 1.0
CG A:TYR147 4.6 48.5 1.0
CD1 A:TYR147 4.7 49.7 1.0
CG A:GLU146 4.9 35.7 1.0

Chlorine binding site 8 out of 8 in 6mro

Go back to Chlorine Binding Sites List in 6mro
Chlorine binding site 8 out of 8 in the Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution, Northeast Structural Genomics Consortium (Nesg) Target MVR53. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:52.4
occ:1.00
OG1 A:THR96 3.8 45.7 1.0
N A:THR96 4.0 32.9 1.0
NH1 A:ARG35 4.1 45.3 1.0
CA A:PHE95 4.3 28.9 1.0
OE2 A:GLU99 4.4 34.1 1.0
CG A:GLU99 4.4 32.6 1.0
CD A:GLU99 4.5 34.5 1.0
O A:LEU94 4.6 34.1 1.0
C A:PHE95 4.7 35.1 1.0
CB A:THR96 4.7 41.8 1.0
CG2 A:THR96 4.8 47.1 1.0
CB A:PHE95 4.9 24.8 1.0
NH2 A:ARG35 4.9 42.1 1.0
CA A:THR96 5.0 34.7 1.0
CZ A:ARG35 5.0 40.6 1.0

Reference:

S.Singh, F.Forouhar, C.Wang, S.M.Vorobiev, M.J.Neky, J.F.Hunt. Crystal Structure of A Methyl Transferase From Methanosarcina Acetivorans at 1.6 Angstroms Resolution. To Be Published.
Page generated: Sat Dec 12 13:22:03 2020

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