Chlorine in PDB 6y1x: X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme

The structure of X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme, PDB code: 6y1x was solved by A.Sosa-Fajardo, P.Legrand, L.Paya-Tormo, L.Martin, M.T.Pellicer-Martinez, C.Echavarri-Erasun, X.Vernede, L.M.Rubio, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.75 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.180, 48.680, 80.380, 78.81, 87.73, 89.94
R / Rfree (%)	17.7 / 21.2

The structure of X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme also contains other interesting chemical elements:

Iron

(Fe)

16 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme (pdb code 6y1x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme, PDB code: 6y1x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:66.7 occ:1.00 N A:ARG22 3.1 62.5 1.0 CB A:LEU21 3.4 75.9 1.0 CB A:ARG22 3.7 60.8 1.0 N A:ARG23 3.9 49.1 1.0 CA A:ARG22 3.9 58.0 1.0 NE A:ARG23 4.0 70.1 1.0 C A:LEU21 4.0 63.9 1.0 CA A:LEU21 4.1 75.2 1.0 NH1 A:ARG23 4.2 75.0 1.0 C A:ARG22 4.4 51.0 1.0 CG A:LEU21 4.4 76.4 1.0 CZ A:ARG23 4.6 74.4 1.0 CG A:ARG23 4.7 59.8 1.0 CB A:ARG23 4.7 49.6 1.0 CA A:ARG23 4.9 47.8 1.0 CD A:ARG23 4.9 66.6 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Radical Sam Protein Nifb, A Key Nitrogenase Maturating Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:74.9 occ:1.00 N B:ARG22 3.3 57.3 1.0 CB B:ARG22 3.7 63.1 1.0 N B:ARG23 4.0 47.7 1.0 NE B:ARG23 4.0 72.7 1.0 CA B:ARG22 4.0 56.9 1.0 CD2 B:LEU21 4.1 71.5 1.0 O B:HOH401 4.2 52.9 1.0 C B:LEU21 4.3 61.0 1.0 NH1 B:ARG23 4.3 80.6 1.0 CA B:LEU21 4.4 66.6 1.0 C B:ARG22 4.5 49.6 1.0 CB B:LEU21 4.6 68.6 1.0 CZ B:ARG23 4.6 76.9 1.0 CG B:ARG23 4.7 58.5 1.0 CB B:ARG23 4.8 49.3 1.0 CG B:LEU21 5.0 72.5 1.0 CD B:ARG23 5.0 66.6 1.0

A.Sosa Fajardo, P.Legrand, L.Paya-Tormo, L.Martin, M.T.Pellicer Martinez, C.Echavarri-Erasun, X.Vernede, L.M.Rubio, Y.Nicolet. Structural Insights Into the Mechanism of the Radical Sam Carbide Synthase Nifb, A Key Nitrogenase Cofactor Maturating Enzyme. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 32476412
DOI: 10.1021/JACS.0C02243