Magnesium in PDB 4eed: Cora Coiled-Coil Mutant Under MG2+ Presence

The structure of Cora Coiled-Coil Mutant Under MG2+ Presence, PDB code: 4eed was solved by R.Pfoh, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.79 / 3.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	121.700, 132.500, 179.100, 90.00, 90.00, 90.00
R / Rfree (%)	29.7 / 35.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Magnesium atom in the Cora Coiled-Coil Mutant Under MG2+ Presence (pdb code 4eed). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 14 binding sites of Magnesium where determined in the Cora Coiled-Coil Mutant Under MG2+ Presence, PDB code: 4eed:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:75.3 occ:1.00 OD2 A:ASP175 2.9 0.4 1.0 OD1 A:ASP175 3.1 0.9 1.0 OD2 A:ASP179 3.4 0.3 1.0 CG A:ASP175 3.4 0.3 1.0 OD1 A:ASP179 3.5 0.4 1.0 CG A:ASP179 3.9 0.3 1.0 NE2 A:HIS257 4.0 0.0 1.0 CD2 A:HIS257 4.4 0.2 1.0 CB A:ASP175 4.9 0.2 1.0 OE2 B:GLU88 4.9 0.9 1.0

Magnesium binding site 2 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:45.9 occ:1.00 OD1 A:ASP189 2.5 0.5 1.0 NH1 B:ARG216 3.4 0.7 1.0 CG A:ASP189 3.4 0.7 1.0 OD2 A:ASP193 3.5 0.1 1.0 OD1 A:ASP193 3.5 0.9 1.0 OD2 A:ASP189 3.5 0.2 1.0 CG A:ASP193 3.9 0.4 1.0 CZ B:ARG216 4.3 0.5 1.0 CB A:ASP189 4.8 0.7 1.0 NH2 B:ARG216 5.0 0.1 1.0

Magnesium binding site 3 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:23.6 occ:1.00 OG B:SER284 2.7 86.3 1.0 OG A:SER284 3.4 86.1 1.0 OG C:SER284 3.6 85.2 1.0 CB B:SER284 3.6 86.3 1.0 CB A:SER284 4.5 86.5 1.0 CD1 C:LEU280 4.6 81.5 1.0 OG D:SER284 4.8 86.0 1.0 OG E:SER284 4.8 85.9 1.0 CA B:SER284 4.8 86.6 1.0 CB C:SER284 4.8 85.1 1.0

Magnesium binding site 4 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:88.0 occ:1.00 OD2 A:ASP89 1.8 0.2 1.0 OD1 E:ASP253 2.5 1.0 1.0 CG A:ASP89 2.7 0.5 1.0 OD2 E:ASP253 2.8 0.7 1.0 CG E:ASP253 2.9 0.3 1.0 OD1 A:ASP89 3.0 0.7 1.0 O A:LEU85 3.4 0.7 1.0 CB A:ASP89 4.1 0.7 1.0 OE1 A:GLU88 4.1 0.6 1.0 C A:LEU85 4.2 0.3 1.0 CB E:ASP253 4.2 0.7 1.0 N A:ASP89 4.3 0.6 1.0 CB A:LEU85 4.3 0.7 1.0 CA A:ASP89 4.5 0.6 1.0 OE1 A:GLN95 4.5 0.7 1.0 CA A:LEU85 4.6 0.8 1.0 NZ A:LYS98 4.6 0.9 1.0 CB A:GLU88 4.8 0.6 1.0 CD A:GLU88 4.8 0.8 1.0 CD1 A:LEU85 4.9 0.9 1.0

Magnesium binding site 5 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:90.3 occ:1.00 OD2 A:ASP253 2.2 0.5 1.0 OD2 B:ASP89 2.4 0.3 1.0 CG B:ASP89 2.8 0.8 1.0 OD1 B:ASP89 2.8 0.2 1.0 CG A:ASP253 3.1 0.9 1.0 OE1 B:GLN95 3.1 0.2 1.0 OD1 A:ASP253 3.5 0.6 1.0 NZ B:LYS98 3.5 0.3 1.0 CD B:GLN95 4.1 0.8 1.0 CB B:ASP89 4.1 1.0 1.0 NE2 B:GLN95 4.3 0.5 1.0 CE1 A:HIS257 4.3 0.9 1.0 CB A:ASP253 4.3 0.4 1.0 O B:LEU85 4.6 0.8 1.0 O A:ASP253 4.7 0.2 1.0 CA B:ASP89 4.8 0.9 1.0 NE2 A:HIS257 4.8 0.0 1.0 CE B:LYS98 4.8 0.7 1.0 CA A:ASP253 4.9 0.1 1.0

Magnesium binding site 6 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:58.0 occ:1.00 OD2 B:ASP179 3.5 0.3 1.0 OE2 C:GLU88 3.6 0.2 1.0 OD2 B:ASP175 4.0 0.8 1.0 NE2 B:HIS257 4.2 0.8 1.0 OD1 B:ASP179 4.3 0.5 1.0 CG B:ASP179 4.4 0.7 1.0 OD1 B:ASP175 4.5 0.7 1.0 CD C:GLU88 4.6 0.4 1.0 CG B:ASP175 4.7 0.5 1.0 OE1 C:GLU88 4.8 0.9 1.0

Magnesium binding site 7 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:22.7 occ:1.00 OD2 C:ASP277 3.3 91.1 1.0 OD2 B:ASP277 3.4 92.8 1.0 OD1 C:ASP277 4.0 91.6 1.0 CG C:ASP277 4.0 91.2 1.0 CG B:ASP277 4.4 93.2 1.0 OD2 A:ASP277 4.6 92.8 1.0 OD1 B:ASP277 4.7 93.5 1.0 OD1 D:ASP277 4.7 91.1 1.0

Magnesium binding site 8 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:79.2 occ:1.00 OD1 B:ASP253 2.4 0.8 1.0 OD2 C:ASP89 2.8 0.6 1.0 OE1 C:GLU88 3.3 0.9 1.0 OE1 C:GLN95 3.3 0.2 1.0 CG B:ASP253 3.3 0.5 1.0 OD2 B:ASP253 3.6 0.3 1.0 CG C:ASP89 3.7 0.1 1.0 CE1 B:HIS257 3.8 0.4 1.0 OD1 C:ASP89 4.1 0.4 1.0 CD C:GLU88 4.2 0.4 1.0 NE2 B:HIS257 4.2 0.8 1.0 CD C:GLN95 4.5 0.5 1.0 NZ C:LYS98 4.6 0.6 1.0 CB B:ASP253 4.7 0.8 1.0 CB C:ASP89 4.7 0.9 1.0 ND1 B:HIS257 4.7 0.8 1.0 OE2 C:GLU88 4.8 0.2 1.0 O B:ASP253 4.9 0.4 1.0 CA C:ASP89 4.9 0.2 1.0 O C:LEU85 4.9 0.0 1.0 N C:ASP89 5.0 0.7 1.0 NE2 C:GLN95 5.0 0.4 1.0

Magnesium binding site 9 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:47.2 occ:1.00 OD2 C:ASP179 2.9 0.9 1.0 OD2 C:ASP175 3.6 0.4 1.0 CG C:ASP179 3.8 0.8 1.0 OD1 C:ASP179 4.0 0.4 1.0 OD1 C:ASP175 4.0 0.9 1.0 NE2 C:HIS257 4.0 0.0 1.0 OE2 D:GLU88 4.1 1.0 1.0 CG C:ASP175 4.2 0.4 1.0 CD2 C:HIS257 4.7 0.3 1.0

Magnesium binding site 10 out of 14 in the Cora Coiled-Coil Mutant Under MG2+ Presence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Cora Coiled-Coil Mutant Under MG2+ Presence within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:1.0 occ:1.00 OD2 C:ASP253 2.0 0.7 1.0 NZ D:LYS98 2.6 0.3 1.0 OD1 D:ASP89 2.8 1.0 1.0 CG C:ASP253 2.9 0.6 1.0 OD2 D:ASP89 3.0 0.2 1.0 CG D:ASP89 3.1 0.0 1.0 OD1 C:ASP253 3.4 0.2 1.0 OE1 D:GLN95 3.5 1.0 1.0 NE2 D:GLN95 3.9 0.6 1.0 CE D:LYS98 4.0 0.8 1.0 OD2 C:ASP256 4.1 0.4 1.0 CB C:ASP253 4.1 0.5 1.0 CD D:GLN95 4.1 0.4 1.0 CB D:ASP89 4.3 0.7 1.0 CB C:ASP256 4.6 0.1 1.0 CE1 C:HIS257 4.7 0.2 1.0 CA C:ASP253 4.7 0.5 1.0 CG C:ASP256 4.8 1.0 1.0

R.Pfoh, A.Li, N.Chakrabarti, J.Payandeh, R.Pomes, E.F.Pai. Structural Asymmetry in the Magnesium Channel Cora Points to Sequential Allosteric Regulation. Proc.Natl.Acad.Sci.Usa V. 109 18809 2012.
ISSN: ISSN 0027-8424
PubMed: 23112165
DOI: 10.1073/PNAS.1209018109