Magnesium in PDB 3a1d: Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg

The structure of Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg, PDB code: 3a1d was solved by T.Tsuda, C.Toyoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.85
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.956, 89.956, 190.375, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.6

The binding sites of Magnesium atom in the Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg (pdb code 3a1d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg, PDB code: 3a1d:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg998 b:25.7 occ:1.00 O A:HOH1002 1.7 41.1 1.0 O A:HOH1001 1.7 40.0 1.0 O3B A:ADP997 2.0 39.8 1.0 O1A A:ADP997 2.2 35.4 1.0 O A:HOH1003 2.2 47.3 1.0 O A:HOH1004 2.3 52.5 1.0 PA A:ADP997 3.3 35.5 1.0 PB A:ADP997 3.3 36.8 1.0 O3A A:ADP997 3.6 36.0 1.0 NE2 A:HIS462 3.9 36.0 1.0 O A:HOH1146 4.0 48.8 1.0 O2A A:ADP997 4.0 33.7 1.0 O1B A:ADP997 4.0 37.7 1.0 O A:HOH1160 4.2 40.8 1.0 CD2 A:HIS462 4.2 36.3 1.0 O2B A:ADP997 4.5 35.5 1.0 O A:HOH1171 4.5 59.9 1.0 O A:HOH1177 4.5 55.5 1.0 O A:HOH1185 4.5 59.5 1.0 O A:HOH1169 4.6 51.3 1.0 O5' A:ADP997 4.6 35.3 1.0 NZ A:LYS600 4.9 42.8 1.0 CE1 A:HIS462 5.0 35.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the P- and N-Domains of Copa, A Copper- Transporting P-Type Atpase, Bound with Adp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg998 b:39.4 occ:1.00 O B:HOH1305 1.7 50.4 1.0 O B:HOH1509 1.9 51.2 1.0 O3B B:ADP997 2.1 48.1 1.0 O1A B:ADP997 2.2 50.9 1.0 O B:HOH1306 2.2 57.3 1.0 PA B:ADP997 3.3 48.4 1.0 PB B:ADP997 3.3 49.4 1.0 O3A B:ADP997 3.5 48.5 1.0 NE2 B:HIS462 3.6 56.4 1.0 CD2 B:HIS462 3.8 55.8 1.0 O B:HOH1480 3.8 54.2 1.0 O1B B:ADP997 4.0 49.5 1.0 O2A B:ADP997 4.1 49.7 1.0 O B:HOH1516 4.2 47.6 1.0 O B:HOH1482 4.5 44.9 1.0 O2B B:ADP997 4.5 48.0 1.0 O5' B:ADP997 4.6 47.5 1.0 CE1 B:HIS462 4.7 56.7 1.0

T.Tsuda, C.Toyoshima. Nucleotide Recognition By Copa, A Cu+-Transporting P-Type Atpase. Embo J. V. 28 1782 2009.
ISSN: ISSN 0261-4189
PubMed: 19478797
DOI: 10.1038/EMBOJ.2009.143