Chlorine in PDB 2bry: Crystal Structure of the Native Monooxygenase Domain of Mical at 1.45 A Resolution

The structure of Crystal Structure of the Native Monooxygenase Domain of Mical at 1.45 A Resolution, PDB code: 2bry 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)	76.03 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.588, 89.548, 83.458, 90.00, 114.35, 90.00
R / Rfree (%)	18 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of the Native Monooxygenase Domain of Mical at 1.45 A Resolution (pdb code 2bry). 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 Native Monooxygenase Domain of Mical at 1.45 A Resolution, PDB code: 2bry:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Native Monooxygenase Domain of Mical at 1.45 A Resolution


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 Native Monooxygenase Domain of Mical at 1.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1490 b:12.7 occ:1.00 N A:CYS23 3.1 20.6 1.0 O A:HOH2271 3.1 24.0 1.0 N A:PHE119 3.2 19.2 1.0 NH2 A:ARG158 3.2 18.9 1.0 O A:HOH2055 3.3 20.6 1.0 CB A:LYS118 3.6 20.6 1.0 CB A:CYS23 3.7 22.1 0.5 O A:PHE119 3.7 19.7 1.0 CB A:CYS23 3.7 22.6 0.5 CA A:LEU22 3.7 17.5 1.0 C A:LEU22 3.9 18.0 1.0 CA A:LYS118 3.9 20.0 1.0 SG A:CYS23 4.0 21.9 0.5 CA A:CYS23 4.0 21.9 1.0 CD2 A:LEU22 4.0 15.1 1.0 CA A:PHE119 4.1 19.6 1.0 C A:LYS118 4.1 20.0 1.0 CB A:PHE119 4.1 19.5 1.0 C A:PHE119 4.2 19.4 1.0 CB A:LEU22 4.2 17.4 1.0 CZ A:ARG158 4.4 19.1 1.0 CG A:LYS118 4.6 21.3 1.0 O A:GLN21 4.7 18.1 1.0 CG A:PHE119 4.7 20.0 1.0 CG A:LEU22 4.8 16.1 1.0 NE A:ARG158 4.8 16.8 1.0 CD2 A:PHE119 4.9 20.2 1.0 O A:HOH2121 4.9 33.6 1.0 N A:LEU22 4.9 17.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Native Monooxygenase Domain of Mical at 1.45 A Resolution


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 Native Monooxygenase Domain of Mical at 1.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1490 b:16.6 occ:1.00 O B:HOH2104 3.0 28.7 1.0 N B:CYS23 3.1 13.7 1.0 N B:PHE119 3.2 9.5 1.0 NH2 B:ARG158 3.2 9.4 1.0 O B:HOH2040 3.3 15.5 1.0 CB B:LYS118 3.6 11.9 1.0 O B:PHE119 3.7 10.1 1.0 CB B:CYS23 3.7 14.5 1.0 CA B:LEU22 3.8 12.5 1.0 CA B:LYS118 3.9 11.8 1.0 C B:LEU22 4.0 12.8 1.0 CA B:PHE119 4.0 9.2 1.0 CA B:CYS23 4.0 14.2 1.0 C B:LYS118 4.0 10.2 1.0 CD2 B:LEU22 4.1 13.0 1.0 C B:PHE119 4.1 9.5 1.0 CB B:PHE119 4.1 8.6 1.0 CB B:LEU22 4.3 11.8 1.0 CZ B:ARG158 4.4 9.2 1.0 CG B:LYS118 4.7 14.4 1.0 O B:GLN21 4.7 13.2 1.0 NE B:ARG158 4.7 7.8 1.0 CG B:PHE119 4.8 8.3 1.0 CG B:LEU22 4.8 11.8 1.0 O B:HOH2036 4.9 37.8 1.0 CD2 B:PHE119 4.9 8.3 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