Chlorine in PDB 2y98: Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group

The structure of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group, PDB code: 2y98 was solved by S.Li, P.M.Kells, D.H.Sherman, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	162.02 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.285, 162.025, 50.394, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 20.6

The structure of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group (pdb code 2y98). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group, PDB code: 2y98:

Chlorine binding site 1 out of 1 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in P21212 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1398 b:44.7 occ:1.00 O A:HOH2156 3.0 44.3 1.0 ND1 A:HIS158 3.1 21.4 1.0 NH1 A:ARG145 3.4 19.4 1.0 O A:HOH2184 3.5 35.8 1.0 CD A:ARG145 3.5 15.4 1.0 CB A:ARG145 3.7 13.6 1.0 CG A:ARG145 3.7 15.1 1.0 CE1 A:HIS158 4.0 24.5 1.0 CG A:HIS158 4.0 19.2 1.0 CB A:HIS158 4.1 18.8 1.0 CZ A:ARG145 4.3 18.6 1.0 NE A:ARG145 4.3 17.7 1.0 CG1 A:ILE117 4.4 17.1 1.0 CD1 A:ILE117 4.4 16.8 1.0 CG2 A:ILE117 4.5 18.3 1.0 NH2 A:ARG113 4.6 34.1 1.0 CA A:ARG145 4.7 14.2 1.0 OE1 A:GLU120 4.8 35.8 1.0 O A:HOH2164 5.0 40.6 1.0

S.Li, D.R.Tietz, F.U.Rutaganira, P.M.Kells, Y.Anzai, F.Kato, T.C.Pochapsky, D.H.Sherman, L.M.Podust. Substrate Recognition By the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem. V. 287 37880 2012.
ISSN: ISSN 0021-9258
PubMed: 22952225
DOI: 10.1074/JBC.M112.410340