Chlorine in PDB 2c4c: Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical

The structure of Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical, PDB code: 2c4c was solved by C.Siebold, N.Berrow, T.S.Walter, K.Harlos, R.J.Owens, J.R.Terman, D.I.Stuart, A.L.Kolodkin, R.J.Pasterkamp, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.709, 89.915, 83.573, 90.00, 113.82, 90.00
R / Rfree (%)	24.3 / 29.4

The binding sites of Chlorine atom in the Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical (pdb code 2c4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical, PDB code: 2c4c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical


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 the Nadph-Treated Monooxygenase Domain of Mical within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:64.7 occ:1.00 N A:CYS23 3.1 81.8 1.0 N A:PHE119 3.2 76.8 1.0 CB A:CYS23 3.3 81.9 1.0 CB A:LYS118 3.4 77.1 1.0 O A:PHE119 3.5 76.5 1.0 CA A:CYS23 3.8 82.0 1.0 NH2 A:ARG158 3.8 71.7 1.0 CA A:LYS118 3.9 77.0 1.0 CA A:PHE119 4.0 76.5 1.0 C A:LYS118 4.0 76.9 1.0 C A:PHE119 4.1 76.4 1.0 C A:LEU22 4.1 81.5 1.0 CA A:LEU22 4.2 81.3 1.0 CB A:PHE119 4.3 76.6 1.0 CD2 A:LEU22 4.3 81.3 1.0 CG A:LYS118 4.6 77.6 1.0 CD A:LYS118 4.6 78.6 1.0 N A:GLN24 4.7 82.4 1.0 CB A:LEU22 4.8 81.3 1.0 C A:CYS23 4.8 82.2 1.0 SG A:CYS23 4.9 82.0 1.0 CG A:PHE119 4.9 76.5 1.0 CD2 A:PHE119 4.9 76.3 1.0 CZ A:ARG158 4.9 72.0 1.0 O A:GLN21 5.0 80.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Nadph-Treated Monooxygenase Domain of Mical


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 the Nadph-Treated Monooxygenase Domain of Mical within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:65.2 occ:1.00 O B:PHE119 2.9 75.1 1.0 NH2 B:ARG158 3.1 69.7 1.0 N B:CYS23 3.1 82.3 1.0 N B:PHE119 3.3 75.0 1.0 CB B:CYS23 3.5 82.4 1.0 C B:PHE119 3.7 75.0 1.0 CG B:LYS118 3.8 75.0 1.0 CA B:PHE119 3.9 75.0 1.0 CA B:CYS23 3.9 82.4 1.0 CB B:PHE119 4.0 75.2 1.0 CA B:LEU22 4.0 81.9 1.0 C B:LEU22 4.1 82.0 1.0 CZ B:ARG158 4.2 70.6 1.0 CB B:LYS118 4.2 74.8 1.0 C B:LYS118 4.3 74.8 1.0 CA B:LYS118 4.3 74.8 1.0 NE B:ARG158 4.4 71.0 1.0 CB B:LEU22 4.6 82.0 1.0 CD B:LYS118 4.7 75.3 1.0 O B:GLN21 4.8 81.6 1.0 CG B:PHE119 4.8 75.5 1.0 N B:SER120 4.9 74.8 1.0 CG B:LEU22 5.0 82.0 1.0

C.Siebold, N.Berrow, T.S.Walter, K.Harlos, R.J.Owens, D.I.Stuart, J.R.Terman, A.L.Kolodkin, R.J.Pasterkamp, E.Y.Jones. High-Resolution Structure of the Catalytic Region of Mical (Molecule Interacting with Casl), A Multidomain Flavoenzyme-Signaling Molecule. Proc.Natl.Acad.Sci.Usa V. 102 16836 2005.
ISSN: ISSN 0027-8424
PubMed: 16275925
DOI: 10.1073/PNAS.0504997102