Magnesium in PDB 3edv: Crystal Structure of Repeats 14-16 of BETA2-Spectrin

The structure of Crystal Structure of Repeats 14-16 of BETA2-Spectrin, PDB code: 3edv was solved by P.Michaely, D.R.Tomchick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.335, 56.415, 261.611, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 25

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin (pdb code 3edv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 13 binding sites of Magnesium where determined in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin, PDB code: 3edv:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:30.0 occ:1.00 O A:HOH309 2.2 51.1 1.0 O A:HOH492 2.3 30.0 1.0 O A:HOH162 2.4 47.3 1.0 CE A:MET1845 3.6 24.5 1.0 SD A:MET1845 4.2 26.2 1.0 O A:HOH174 4.6 44.3 1.0 OE2 A:GLU1831 4.9 37.1 1.0 CD2 A:LEU1842 5.0 20.5 1.0

Magnesium binding site 2 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1005 b:30.0 occ:1.00 O A:HOH243 2.9 49.2 1.0 CA A:GLY1955 3.4 9.0 1.0 O A:HOH91 3.8 41.0 1.0 O A:HOH520 3.9 30.0 1.0 O A:HOH203 4.0 36.6 1.0 O A:HOH81 4.0 33.6 1.0 N A:GLY1955 4.2 8.3 1.0 O A:ASN1951 4.4 8.5 1.0 C A:GLY1955 4.5 9.2 1.0 O A:GLY1955 4.8 8.7 1.0

Magnesium binding site 3 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1006 b:30.0 occ:1.00 NE2 A:GLN1737 3.9 27.8 1.0 NH2 A:ARG1741 3.9 39.9 1.0 O A:HOH69 4.1 36.6 1.0 O A:HOH98 4.3 47.2 1.0 CZ A:TYR1805 4.3 29.3 1.0 NH1 A:ARG1741 4.3 35.9 1.0 OH A:TYR1805 4.3 30.4 1.0 CE2 A:TYR1805 4.4 29.9 1.0 O A:HOH437 4.6 30.0 1.0 CZ A:ARG1741 4.6 37.5 1.0 CE1 A:TYR1805 4.7 31.8 1.0 CD A:GLN1737 4.8 29.5 1.0 CD2 A:TYR1805 4.9 28.9 1.0

Magnesium binding site 4 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1007 b:30.0 occ:1.00 O A:HOH127 2.5 44.6 1.0 OG A:SER1918 4.2 11.3 0.5 NE2 A:GLN1836 4.2 28.5 1.0 CG A:MET1919 4.2 15.4 1.0 CG A:ARG1915 4.2 20.8 1.0 OE1 A:GLN1836 4.4 27.7 1.0 O A:HOH234 4.4 29.6 1.0 CE A:MET1919 4.5 19.3 1.0 O A:ARG1915 4.5 16.9 1.0 CB A:SER1918 4.6 10.8 0.5 CB A:SER1918 4.7 11.3 0.5 CD A:GLN1836 4.7 25.1 1.0 O A:HOH108 4.7 52.6 1.0 N A:MET1919 4.9 13.2 1.0 CD A:ARG1915 4.9 21.8 1.0 OD2 A:ASP1922 5.0 16.7 1.0

Magnesium binding site 5 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1008 b:30.0 occ:1.00 OE2 A:GLU1947 3.1 23.9 0.5 OE1 A:GLU1947 3.6 21.1 0.5 CD A:GLU1947 3.7 20.5 0.5

Magnesium binding site 6 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1011 b:30.0 occ:1.00 OE2 A:GLU1778 3.9 36.9 1.0 CD A:GLU1778 4.7 31.5 1.0 OE1 A:GLU1778 4.9 37.7 1.0

Magnesium binding site 7 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1000 b:62.4 occ:1.00 O B:HOH294 2.2 52.9 1.0 O B:HOH296 2.3 53.9 1.0 OE1 B:GLU1718 2.6 39.7 1.0 O B:HOH297 2.6 52.1 1.0 O B:HOH295 2.9 52.5 1.0 OE2 B:GLU1718 3.3 39.7 1.0 CD B:GLU1718 3.3 35.5 1.0 O B:HOH236 3.8 37.2 1.0 O B:HOH353 4.2 30.0 1.0 CG B:GLU1718 4.8 30.3 1.0 O B:HOH88 4.8 34.0 1.0

Magnesium binding site 8 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


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 Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:57.0 occ:1.00 O B:HOH301 1.9 40.6 1.0 O B:HOH299 1.9 42.3 1.0 OD2 B:ASP1729 2.4 20.5 1.0 O B:HOH300 2.5 39.5 1.0 O B:HOH182 2.5 36.7 1.0 CG B:ASP1729 3.3 25.2 1.0 OD1 B:ASP1729 3.5 25.0 1.0 OE1 B:GLU1731 3.9 28.1 1.0 CB B:ASP1729 4.6 26.9 1.0 CB B:GLU1731 4.8 25.2 1.0 CD B:GLU1731 4.9 28.3 1.0

Magnesium binding site 9 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:73.8 occ:1.00 O B:HOH305 1.8 61.9 1.0 O B:HOH306 1.9 64.7 1.0 O B:HOH304 2.0 53.6 1.0 O B:HOH307 2.5 54.7 1.0 O B:HOH308 2.9 70.0 1.0 O B:HOH232 3.0 51.0 1.0 OE2 B:GLU1935 3.7 31.9 1.0 O B:HOH453 4.0 30.0 1.0 OE1 B:GLU1935 4.1 30.1 1.0 CD B:GLU1935 4.3 29.3 1.0

Magnesium binding site 10 out of 13 in the Crystal Structure of Repeats 14-16 of BETA2-Spectrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Repeats 14-16 of BETA2-Spectrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1003 b:30.0 occ:1.00 O B:HOH678 2.8 30.0 1.0 O A:HOH500 3.0 30.0 1.0 OD2 B:ASP1756 4.0 18.5 1.0 OE1 A:GLU1865 4.0 33.1 1.0 OE1 A:GLN1862 4.1 20.6 1.0 OE2 A:GLU1865 4.2 31.6 1.0 OD1 B:ASP1756 4.5 18.6 1.0 CD A:GLU1865 4.5 29.9 1.0 CG B:ASP1756 4.6 17.2 1.0 NE2 B:GLN1752 4.8 15.9 1.0 CG B:GLN1752 4.8 16.8 1.0

L.Davis, K.Abdi, M.Machius, C.Brautigam, D.R.Tomchick, V.Bennett, P.Michaely. Localization and Structure of the Ankyrin-Binding Site on BETA2-Spectrin J.Biol.Chem. V. 284 6982 2009.
ISSN: ISSN 0021-9258
PubMed: 19098307
DOI: 10.1074/JBC.M809245200