Magnesium in PDB 6n7e: Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+

The structure of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+, PDB code: 6n7e was solved by Y.S.Chen, K.Gehring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.76 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	290.582, 111.139, 103.519, 90.00, 101.01, 90.00
R / Rfree (%)	28.2 / 28.2

The binding sites of Magnesium atom in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ (pdb code 6n7e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+, PDB code: 6n7e:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


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 Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:71.7 occ:1.00 O2B A:ANP901 2.0 53.7 1.0 O2A A:ANP901 2.0 99.8 1.0 O3G A:ANP901 2.0 67.0 1.0 OD2 A:ASP586 3.0 71.4 1.0 HG3 A:GLU570 3.2 0.1 1.0 PB A:ANP901 3.3 52.4 1.0 PA A:ANP901 3.4 56.4 1.0 PG A:ANP901 3.5 51.1 1.0 O3A A:ANP901 3.7 54.6 1.0 H A:ASP583 3.8 86.3 1.0 N3B A:ANP901 3.8 61.4 1.0 CG A:ASP586 3.9 90.0 1.0 HD13 A:ILE581 3.9 91.1 1.0 HB3 A:ASP583 4.1 86.5 1.0 O1A A:ANP901 4.1 57.1 1.0 CG A:GLU570 4.2 0.8 1.0 OD1 A:ASP586 4.2 70.8 1.0 H5'1 A:ANP901 4.2 67.4 1.0 O1G A:ANP901 4.3 78.1 1.0 HE2 D:HIS544 4.4 58.8 1.0 HD11 A:ILE581 4.4 91.1 1.0 HB2 A:ASP583 4.4 86.5 1.0 CD A:GLU570 4.4 85.3 1.0 O2G A:ANP901 4.4 48.9 1.0 O1B A:ANP901 4.4 71.7 1.0 CD1 A:ILE581 4.5 75.5 1.0 OE1 A:GLU570 4.5 80.4 1.0 O5' A:ANP901 4.5 58.2 1.0 N A:ASP583 4.6 71.5 1.0 HD12 A:ILE581 4.6 91.1 1.0 CB A:ASP583 4.7 71.6 1.0 HNB1 A:ANP901 4.7 74.2 1.0 C5' A:ANP901 4.7 58.4 1.0 HG2 A:GLU570 4.7 0.1 1.0 H5'2 A:ANP901 4.7 67.4 1.0 HA A:LEU582 4.7 67.5 1.0 O3G D:ANP901 4.9 98.2 1.0 HB3 A:GLU570 4.9 0.1 1.0

Magnesium binding site 2 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


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 Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:25.0 occ:1.00 OD2 D:ASP504 2.2 60.1 1.0 OD2 A:ASP504 2.5 53.1 1.0 CG A:ASP504 3.4 71.8 1.0 CG D:ASP504 3.4 51.4 1.0 OD1 D:ASP507 3.6 57.7 1.0 OD1 A:ASP504 3.6 57.3 1.0 OD2 A:ASP506 3.7 58.6 1.0 HB2 D:ASP504 3.9 39.9 1.0 HB2 A:ASP506 3.9 0.5 1.0 OD2 D:ASP507 4.1 29.0 1.0 CB D:ASP504 4.1 32.8 1.0 HB3 D:ASP504 4.1 39.9 1.0 HB2 D:ASP506 4.1 95.8 1.0 CG D:ASP507 4.2 28.0 1.0 OD1 D:ASP504 4.4 65.6 1.0 CG A:ASP506 4.6 70.0 1.0 CB A:ASP506 4.6 0.8 1.0 CB A:ASP504 4.7 84.2 1.0 HB2 A:ASP504 4.7 0.5 1.0 HG2 A:GLN623 4.8 30.7 1.0 HB3 A:ASP506 4.9 0.5 1.0

Magnesium binding site 3 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:0.6 occ:1.00 OE1 B:GLU584 1.9 95.2 1.0 O1A B:ANP901 2.0 0.6 1.0 O2G B:ANP901 2.0 0.3 1.0 O2B B:ANP901 2.0 0.3 1.0 CD B:GLU584 3.0 51.5 1.0 PA B:ANP901 3.4 87.0 1.0 PB B:ANP901 3.5 0.6 1.0 H B:GLU584 3.5 0.9 1.0 HB3 B:ASP583 3.5 54.7 1.0 PG B:ANP901 3.5 1.0 1.0 OE2 B:GLU584 3.6 45.8 1.0 OE1 B:GLU570 3.6 0.7 1.0 OE2 B:GLU570 3.9 82.3 1.0 HB2 B:GLU584 3.9 78.3 1.0 O3A B:ANP901 4.0 80.5 1.0 HB2 B:ASP583 4.1 54.7 1.0 CD B:GLU570 4.2 93.2 1.0 CG B:GLU584 4.2 55.5 1.0 N3B B:ANP901 4.2 96.7 1.0 H B:ASP583 4.2 0.5 1.0 O2A B:ANP901 4.3 84.0 1.0 CB B:ASP583 4.3 46.6 1.0 N B:GLU584 4.3 0.7 1.0 O3G B:ANP901 4.4 82.8 1.0 HG2 B:GLU584 4.4 67.2 1.0 O5' B:ANP901 4.4 87.0 1.0 O1G B:ANP901 4.4 85.4 1.0 CB B:GLU584 4.5 64.8 1.0 O1B B:ANP901 4.5 0.2 1.0 HNB1 B:ANP901 4.8 0.6 1.0 N B:ASP583 4.8 0.1 1.0 HH22 C:ARG480 4.9 55.6 1.0 HG3 B:GLU584 5.0 67.2 1.0 CA B:ASP583 5.0 73.4 1.0 CA B:GLU584 5.0 0.7 1.0

Magnesium binding site 4 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg903 b:20.5 occ:1.00 OD2 B:ASP506 2.4 67.1 1.0 OD2 C:ASP507 2.8 54.6 1.0 CG B:ASP506 3.6 71.5 1.0 CG C:ASP507 3.6 56.8 1.0 OD1 C:ASP507 3.7 74.3 1.0 OD1 B:ASP506 4.2 66.2 1.0 OD2 B:ASP504 4.4 56.5 1.0 OD1 B:ASP504 4.4 65.2 1.0 CB C:ASP504 4.5 29.0 1.0 HB2 B:ASP506 4.6 0.2 1.0 CB B:ASP506 4.7 0.6 1.0 CG B:ASP504 4.8 53.7 1.0

Magnesium binding site 5 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg904 b:22.7 occ:1.00 OD2 B:ASP504 2.3 56.5 1.0 OD2 C:ASP506 2.8 80.4 1.0 HB2 C:ASP506 3.1 79.2 1.0 CG B:ASP504 3.4 53.7 1.0 HB2 B:ASP504 3.6 88.3 1.0 CG C:ASP506 3.7 62.1 1.0 CB C:ASP506 3.8 65.6 1.0 CB C:ASP504 3.9 29.0 1.0 CB B:ASP504 4.0 73.2 1.0 HB3 C:ASP506 4.1 79.2 1.0 HB3 B:ASP504 4.2 88.3 1.0 OE1 C:GLN623 4.2 0.6 1.0 OD1 B:ASP507 4.3 0.2 1.0 H C:ASP506 4.4 0.5 1.0 OD1 B:ASP504 4.4 65.2 1.0 OD2 B:ASP507 4.5 64.6 1.0 HB2 B:ASP506 4.7 0.2 1.0 CG B:ASP507 4.8 74.8 1.0 OD1 C:ASP506 4.9 55.7 1.0 HE22 C:GLN623 4.9 1.0 1.0 CD C:GLN623 4.9 74.6 1.0

Magnesium binding site 6 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg902 b:57.1 occ:1.00 O1B C:ANP901 2.0 74.8 1.0 O2G C:ANP901 2.0 77.0 1.0 O2A C:ANP901 2.0 0.8 1.0 OD2 C:ASP586 2.4 83.0 1.0 CG C:ASP586 3.2 88.5 1.0 OD1 C:ASP586 3.3 77.6 1.0 PB C:ANP901 3.3 66.9 1.0 PA C:ANP901 3.4 73.6 1.0 PG C:ANP901 3.4 93.5 1.0 HB3 C:ASP583 3.5 0.1 1.0 O3A C:ANP901 3.8 58.0 1.0 HB2 C:ASP583 4.0 0.1 1.0 N3B C:ANP901 4.0 81.4 1.0 H C:ASP583 4.0 71.1 1.0 O1G C:ANP901 4.1 45.1 1.0 O5' C:ANP901 4.2 55.9 1.0 CB C:ASP583 4.2 95.5 1.0 HE2 B:HIS544 4.3 58.0 1.0 O2B C:ANP901 4.5 61.0 1.0 O1A C:ANP901 4.5 54.8 1.0 O3G C:ANP901 4.6 74.4 1.0 N C:ASP583 4.6 58.9 1.0 CB C:ASP586 4.6 0.2 1.0 HNB1 C:ANP901 4.7 98.2 1.0 HB2 C:ASP586 4.8 0.2 1.0 HB3 C:ASP586 5.0 0.2 1.0 HA C:LEU582 5.0 76.7 1.0

Magnesium binding site 7 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg902 b:99.9 occ:1.00 O2B D:ANP901 2.0 0.3 1.0 O2A D:ANP901 2.0 98.8 1.0 O2G D:ANP901 2.1 0.8 1.0 OE1 D:GLU584 2.5 55.3 1.0 OE2 D:GLU570 2.6 99.0 1.0 OE1 D:GLU570 3.0 0.7 1.0 CD D:GLU570 3.1 0.9 1.0 OE2 D:GLU584 3.1 50.9 1.0 CD D:GLU584 3.1 55.4 1.0 PA D:ANP901 3.4 75.2 1.0 PB D:ANP901 3.4 1.0 1.0 PG D:ANP901 3.5 89.6 1.0 HE2 A:HIS544 3.8 79.1 1.0 O3A D:ANP901 3.9 75.5 1.0 H5'1 D:ANP901 4.1 0.7 1.0 O1A D:ANP901 4.1 78.0 1.0 N3B D:ANP901 4.1 87.5 1.0 O1G D:ANP901 4.2 98.0 1.0 HD2 A:HIS544 4.2 66.0 1.0 H D:ASP583 4.3 0.3 1.0 HB3 D:ASP583 4.3 61.5 1.0 CG D:GLU570 4.4 78.3 1.0 HG3 D:GLU570 4.4 94.5 1.0 HNB1 D:ANP901 4.4 0.6 1.0 O1B D:ANP901 4.5 0.8 1.0 NE2 A:HIS544 4.5 65.5 1.0 H D:GLU584 4.5 0.2 1.0 O5' D:ANP901 4.6 76.6 1.0 CG D:GLU584 4.6 53.1 1.0 O3G D:ANP901 4.6 98.2 1.0 C5' D:ANP901 4.6 0.5 1.0 HG22 D:ILE581 4.7 99.8 1.0 H5'2 D:ANP901 4.7 0.7 1.0 CD2 A:HIS544 4.7 57.2 1.0 HH22 A:ARG480 4.8 61.2 1.0 HG3 D:GLU584 4.8 64.2 1.0 HB2 D:GLU570 4.9 91.0 1.0

Magnesium binding site 8 out of 8 in the Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of the Cytosolic Domain of Human CNNM2 in Complex with Amp-Pnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg903 b:26.9 occ:1.00 OD2 D:ASP506 2.2 54.4 1.0 CG D:ASP506 3.3 98.4 1.0 OD2 A:ASP507 3.3 38.6 1.0 OD1 D:ASP506 3.7 88.4 1.0 HB3 D:GLN611 4.1 0.6 1.0 HB2 A:ASP504 4.1 0.5 1.0 OD1 D:ASP504 4.3 65.6 1.0 CG A:ASP507 4.3 36.2 1.0 HB3 A:ASP504 4.4 0.5 1.0 HB2 D:ASP506 4.5 95.8 1.0 CB D:ASP506 4.5 79.4 1.0 OD1 A:ASP507 4.6 48.3 1.0 CB A:ASP504 4.7 84.2 1.0 OD2 A:ASP504 4.7 53.1 1.0 OD2 D:ASP504 4.9 60.1 1.0 HB3 D:ASP506 4.9 95.8 1.0

Y.S.Chen, G.Kozlov, R.Fakih, M.Yang, Z.Zhang, E.L.Kovrigin, K.Gehring. MG2+ -Atp Sensing in Cnnm, A Putative Magnesium Transporter To Be Published 2019.