Molybdenum in PDB 6a71: Crystal Structure of Human ATP7B and Tm Complex

The structure of Crystal Structure of Human ATP7B and Tm Complex, PDB code: 6a71 was solved by W.B.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.87 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	46.267, 87.740, 78.440, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.5

The structure of Crystal Structure of Human ATP7B and Tm Complex also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Molybdenum atom in the Crystal Structure of Human ATP7B and Tm Complex (pdb code 6a71). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of Human ATP7B and Tm Complex, PDB code: 6a71:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of Human ATP7B and Tm Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Human ATP7B and Tm Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo101 b:18.9 occ:1.00 MO1 B:9UX101 0.0 18.9 1.0 O1 B:9UX101 1.6 17.1 1.0 S1 B:9UX101 2.3 16.9 1.0 S2 B:9UX101 2.3 17.6 1.0 MO2 B:9UX101 2.9 19.7 1.0 O2 B:9UX101 3.5 16.6 1.0 O B:HOH202 3.8 12.9 1.0 OG1 B:THR13 3.9 21.5 1.0 SG B:CYS14 4.8 21.1 1.0 SG B:CYS17 4.9 19.8 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Human ATP7B and Tm Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Human ATP7B and Tm Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo101 b:19.7 occ:1.00 MO2 B:9UX101 0.0 19.7 1.0 O2 B:9UX101 1.5 16.6 1.0 S1 B:9UX101 2.3 16.9 1.0 S2 B:9UX101 2.3 17.6 1.0 SG B:CYS14 2.4 21.1 1.0 SG B:CYS17 2.5 19.8 1.0 MO1 B:9UX101 2.9 18.9 1.0 CB B:CYS17 3.5 19.8 1.0 CB B:CYS14 3.6 19.1 1.0 O1 B:9UX101 3.6 17.1 1.0 O B:HOH202 3.8 12.9 1.0 OG1 B:THR13 3.8 21.5 1.0 N B:CYS14 3.9 19.6 1.0 CA B:CYS14 4.3 19.6 1.0 C B:THR13 4.3 23.9 1.0 N B:THR13 4.4 22.2 1.0 CA B:CYS17 4.7 19.0 1.0 N B:CYS17 4.7 21.9 1.0 CA B:THR13 4.8 22.9 1.0 O B:HOH220 4.8 42.0 1.0 O B:GLY11 4.8 24.3 1.0 O B:THR13 4.9 25.8 1.0 O B:CYS14 4.9 22.5 1.0 CB B:THR13 4.9 20.7 1.0 C B:CYS14 5.0 23.1 1.0

T.Fang, W.Chen, Y.Sheng, S.Yuan, Q.Tang, G.Li, G.Huang, J.Su, X.Zhang, J.Zang, Y.Liu. Tetrathiomolybdate Induces Dimerization of the Metal-Binding Domain of Atpase and Inhibits Platination of the Protein. Nat Commun V. 10 186 2019.
ISSN: ESSN 2041-1723
PubMed: 30643139
DOI: 10.1038/S41467-018-08102-Z