Chlorine in PDB 4rv9: Crystal Structure of Mtmc in Complex with Sah

The structure of Crystal Structure of Mtmc in Complex with Sah, PDB code: 4rv9 was solved by C.Hou, J.-M.Chen, J.Rohr, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.20
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	134.245, 134.245, 130.010, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.1

The structure of Crystal Structure of Mtmc in Complex with Sah also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Mtmc in Complex with Sah (pdb code 4rv9). 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 Crystal Structure of Mtmc in Complex with Sah, PDB code: 4rv9:

Chlorine binding site 1 out of 1 in the Crystal Structure of Mtmc in Complex with Sah


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 Mtmc in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:55.3 occ:1.00 NE2 A:HIS226 2.4 53.8 1.0 CE1 A:HIS182 2.8 47.8 1.0 NE2 A:HIS182 3.1 46.9 1.0 CE1 A:HIS226 3.4 53.5 1.0 CD2 A:HIS226 3.4 52.4 1.0 OH A:TYR223 3.8 55.9 1.0 ND1 A:HIS182 4.1 47.5 1.0 CB A:HIS178 4.3 58.7 1.0 CD2 A:HIS182 4.4 44.6 1.0 ND1 A:HIS226 4.5 51.1 1.0 ND1 A:HIS178 4.5 68.7 1.0 CG A:HIS226 4.5 49.9 1.0 CG A:HIS178 4.8 65.9 1.0 CZ A:TYR223 4.8 52.6 1.0 CG A:HIS182 5.0 44.8 1.0 O A:HIS178 5.0 56.5 1.0

J.M.Chen, C.Hou, G.Wang, O.V.Tsodikov, J.Rohr. Structural Insight Into Mtmc, A Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25587924
DOI: 10.1021/BI501462G