Chlorine in PDB 7zr4: Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State

The structure of Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State, PDB code: 7zr4 was solved by U.Ermler, I.Aziz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.49 / 1.70
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.67, 115.67, 234.49, 90, 90, 120
R / Rfree (%)	21.8 / 24

The structure of Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State also contains other interesting chemical elements:

Tungsten	(W)	39 atoms
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State (pdb code 7zr4). 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 Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State, PDB code: 7zr4:

Chlorine binding site 1 out of 1 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:30.0 occ:1.00 O A:HOH425 3.2 30.9 1.0 NH2 A:ARG169 3.2 31.3 1.0 O B:HOH526 3.2 48.3 1.0 N A:ARG230 3.5 39.2 1.0 CG2 B:THR18 3.6 35.2 1.0 NH1 A:ARG169 3.6 31.2 1.0 CB A:ARG230 3.7 42.8 1.0 CZ A:ARG169 3.9 31.1 1.0 O A:HOH485 3.9 31.9 1.0 CA B:THR18 3.9 31.2 1.0 CG A:ARG230 3.9 45.2 1.0 CB B:THR18 4.1 34.1 1.0 CA A:ARG230 4.2 39.5 1.0 NE2 B:GLN23 4.3 34.8 1.0 O B:LEU17 4.3 36.3 1.0 O A:HOH535 4.3 36.2 1.0 N B:THR18 4.4 32.8 1.0 O B:HOH538 4.4 42.9 1.0 C A:ASP229 4.5 35.8 1.0 CA A:ASP229 4.6 36.4 1.0 C B:LEU17 4.6 34.9 1.0 N A:ALA231 4.9 36.2 1.0 CD A:ARG230 5.0 57.3 1.0

I.Aziz, S.Kaltwasser, K.Kayastha, R.Khera, J.Vonck, U.Ermler. The Molybdenum Storage Protein Forms and Deposits Distinct Polynuclear Tungsten Oxygen Aggregates. J.Inorg.Biochem. V. 234 11904 2022.
ISSN: ISSN 0162-0134
PubMed: 35779405
DOI: 10.1016/J.JINORGBIO.2022.111904