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Magnesium in PDB 2iub: Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.

Protein crystallography data

The structure of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution., PDB code: 2iub was solved by S.Eshaghi, D.Niegowski, A.Kohl, D.Martinez Molina, S.A.Lesley, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.9
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 116.230, 151.460, 143.320, 90.00, 98.88, 90.00
R / Rfree (%) 26 / 29.1

Other elements in 2iub:

The structure of Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. also contains other interesting chemical elements:

Chlorine (Cl) 7 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. (pdb code 2iub). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 21 binding sites of Magnesium where determined in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution., PDB code: 2iub:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 21 in 2iub

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Magnesium binding site 1 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1351

b:47.4
occ:1.00
OD1 B:ASP89 2.2 57.8 1.0
O A:HOH2002 2.3 29.5 1.0
OD1 A:ASP253 2.3 52.0 1.0
CG B:ASP89 3.4 53.6 1.0
CG A:ASP253 3.4 49.7 1.0
CE1 A:HIS257 3.6 53.3 1.0
OD2 A:ASP253 3.8 51.5 1.0
OD2 B:ASP89 4.0 56.5 1.0
NE2 A:HIS257 4.0 53.9 1.0
OE2 B:GLU88 4.1 53.4 1.0
CB B:ASP89 4.5 50.1 1.0
CA B:ASP89 4.5 49.2 1.0
ND1 A:HIS257 4.6 54.5 1.0
CB A:ASP253 4.7 48.3 1.0
N B:ASP89 4.7 48.9 1.0
OE1 B:GLN95 4.7 64.8 1.0
CD B:GLU88 4.9 52.4 1.0
O B:LEU85 5.0 50.6 1.0

Magnesium binding site 2 out of 21 in 2iub

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Magnesium binding site 2 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1352

b:35.4
occ:1.00
O B:HOH2001 2.2 18.5 1.0
O A:HOH2001 3.1 27.2 1.0
OD2 A:ASP175 3.2 51.3 1.0
O B:LEU12 3.3 64.0 1.0
OD1 A:ASP175 3.9 52.2 1.0
CG A:ASP175 4.0 48.6 1.0
CA B:PRO14 4.0 61.8 1.0
OD2 A:ASP179 4.1 61.2 1.0
N B:PRO14 4.1 62.0 1.0
C B:PRO13 4.3 62.3 1.0
O B:PRO13 4.4 62.3 1.0
C B:LEU12 4.4 63.6 1.0
CD B:PRO14 4.5 62.3 1.0
OE1 B:GLU88 4.5 52.8 1.0
OH A:TYR171 4.6 46.8 1.0
O B:PRO14 4.8 62.7 1.0
C B:PRO14 4.9 62.0 1.0
CG B:PRO14 4.9 61.6 1.0

Magnesium binding site 3 out of 21 in 2iub

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Magnesium binding site 3 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1351

b:56.2
occ:1.00
O B:HOH2002 2.7 41.7 1.0
O C:LEU12 3.5 64.2 1.0
OD2 B:ASP175 3.6 50.9 1.0
OD2 B:ASP179 3.8 61.4 1.0
OD1 B:ASP175 3.9 52.5 1.0
CG B:ASP175 4.2 48.4 1.0
CA C:PRO14 4.3 61.8 1.0
OE1 C:GLU88 4.3 52.7 1.0
N C:PRO14 4.4 62.1 1.0
C C:PRO13 4.6 62.2 1.0
O C:PRO13 4.6 61.9 1.0
C C:LEU12 4.6 63.8 1.0
CG B:ASP179 4.7 58.6 1.0
OD1 B:ASP179 4.7 62.9 1.0
NE2 B:HIS257 4.7 53.8 1.0
OD2 B:ASP253 4.8 51.3 1.0
OE2 C:GLU88 4.9 53.6 1.0
CD C:PRO14 4.9 62.2 1.0
O C:PRO14 4.9 62.4 1.0
OH B:TYR171 4.9 46.9 1.0
CD C:GLU88 5.0 52.5 1.0

Magnesium binding site 4 out of 21 in 2iub

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Magnesium binding site 4 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1350

b:43.3
occ:1.00
OD1 C:ASP89 1.9 58.0 1.0
OD1 B:ASP253 2.0 52.3 1.0
O B:HOH2003 2.8 34.5 1.0
CG C:ASP89 3.0 53.8 1.0
CG B:ASP253 3.1 49.8 1.0
OD2 C:ASP89 3.5 56.6 1.0
OE2 C:GLU88 3.6 53.6 1.0
OD2 B:ASP253 3.8 51.3 1.0
O C:LEU85 3.8 50.7 1.0
CB B:ASP253 4.2 48.7 1.0
CB C:ASP89 4.4 50.1 1.0
N C:ASP89 4.4 48.8 1.0
CE1 B:HIS257 4.5 53.3 1.0
CA C:ASP89 4.6 49.2 1.0
CD C:GLU88 4.6 52.5 1.0
CD2 C:LEU85 4.6 50.9 1.0
O C:HOH2001 4.7 27.4 1.0
NE2 B:HIS257 4.8 53.8 1.0
C C:LEU85 4.8 50.7 1.0
CB C:GLU88 4.9 47.9 1.0
CG C:GLU88 4.9 49.4 1.0
CA B:ASP253 4.9 48.5 1.0

Magnesium binding site 5 out of 21 in 2iub

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Magnesium binding site 5 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1351

b:38.5
occ:1.00
OD1 C:ASP253 1.8 52.4 1.0
OD1 E:ASP89 2.1 58.2 1.0
CG E:ASP89 2.8 53.6 1.0
OD2 E:ASP89 2.9 56.2 1.0
CG C:ASP253 3.0 50.0 1.0
CB C:ASP253 3.8 48.7 1.0
OD2 C:ASP253 4.0 51.9 1.0
O E:LEU85 4.0 50.7 1.0
NZ E:LYS98 4.1 50.9 1.0
CB E:ASP89 4.4 49.9 1.0
CA C:ASP253 4.4 48.5 1.0
OD2 C:ASP256 4.7 58.2 1.0
OE2 E:GLU88 4.8 53.9 1.0
CD2 E:LEU85 4.8 51.0 1.0
O C:ASP253 4.8 49.0 1.0
CE1 C:HIS257 4.9 53.1 1.0
CA E:ASP89 4.9 49.2 1.0
C E:LEU85 5.0 51.0 1.0

Magnesium binding site 6 out of 21 in 2iub

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Magnesium binding site 6 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1352

b:71.0
occ:1.00
OD2 E:ASP277 2.7 82.3 1.0
OD2 D:ASP277 2.7 82.4 1.0
OD1 D:ASP277 3.0 81.6 1.0
CG D:ASP277 3.2 79.9 1.0
CG E:ASP277 3.9 80.0 1.0
OD1 E:ASP277 4.5 81.6 1.0
CB D:ASP277 4.7 77.7 1.0
OD2 A:ASP277 4.9 82.3 1.0
CB E:ASP277 5.0 77.7 1.0

Magnesium binding site 7 out of 21 in 2iub

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Magnesium binding site 7 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1353

b:65.1
occ:1.00
OD1 D:ASP89 2.0 58.0 1.0
OD1 E:ASP253 2.0 52.8 1.0
CG D:ASP89 3.1 53.9 1.0
CG E:ASP253 3.3 50.0 1.0
OD2 D:ASP89 3.6 56.7 1.0
CE1 E:HIS257 4.0 53.1 1.0
OD2 E:ASP253 4.1 51.7 1.0
CB E:ASP253 4.3 48.5 1.0
CB D:ASP89 4.4 49.8 1.0
OE2 D:GLU88 4.4 53.8 1.0
NZ D:LYS98 4.5 50.2 1.0
O E:ASP253 4.6 48.8 1.0
NE2 E:HIS257 4.6 53.7 1.0
CA E:ASP253 4.6 48.5 1.0
CA D:ASP89 4.7 49.3 1.0
O D:LEU85 4.7 50.5 1.0
OE1 D:GLN95 4.7 65.0 1.0
ND1 E:HIS257 4.8 54.6 1.0
OD2 E:ASP256 4.8 57.8 1.0
CB E:ASP256 4.8 51.0 1.0
N D:ASP89 4.9 48.6 1.0

Magnesium binding site 8 out of 21 in 2iub

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Magnesium binding site 8 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1354

b:56.0
occ:1.00
OD2 D:ASP179 3.7 61.3 1.0
OD2 D:ASP175 3.8 50.5 1.0
OD1 D:ASP175 4.1 52.6 1.0
O A:LEU12 4.1 64.0 1.0
CG D:ASP175 4.4 48.1 1.0
NE2 D:HIS257 4.5 53.4 1.0
OD1 D:ASP179 4.5 63.1 1.0
OE1 A:GLU88 4.5 52.9 1.0
CG D:ASP179 4.5 58.4 1.0
OD2 D:ASP253 4.9 51.5 1.0

Magnesium binding site 9 out of 21 in 2iub

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Magnesium binding site 9 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1355

b:56.4
occ:1.00
O E:HOH2001 2.1 31.4 1.0
O D:LEU12 2.7 64.1 1.0
O D:PRO13 3.5 62.1 1.0
OE1 D:GLU88 3.6 52.5 1.0
C D:PRO13 3.7 62.1 1.0
C D:LEU12 3.7 63.6 1.0
N D:PRO14 3.8 62.0 1.0
CA D:PRO14 3.8 61.9 1.0
OD2 E:ASP175 4.0 51.4 1.0
O D:PRO14 4.3 62.8 1.0
C D:PRO14 4.4 62.0 1.0
N D:PRO13 4.5 62.9 1.0
CA D:PRO13 4.5 62.5 1.0
CA D:LEU12 4.5 64.0 1.0
CB D:LEU12 4.5 64.0 1.0
CD D:PRO14 4.6 62.2 1.0
CD D:GLU88 4.6 52.5 1.0
OD2 E:ASP179 4.7 61.5 1.0
OE2 D:GLU88 4.7 53.8 1.0
N D:LEU12 4.7 64.9 1.0
OD1 E:ASP175 4.8 52.4 1.0
CG E:ASP175 4.8 48.5 1.0

Magnesium binding site 10 out of 21 in 2iub

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Magnesium binding site 10 out of 21 in the Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 A Resolution.


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 A Divalent Metal Ion Transporter Cora at 2.9 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1356

b:46.7
occ:1.00
OD1 D:ASP253 1.7 52.1 1.0
OD1 A:ASP89 2.0 58.2 1.0
CG D:ASP253 2.9 49.6 1.0
CG A:ASP89 3.0 53.8 1.0
OD2 A:ASP89 3.3 56.3 1.0
OD2 D:ASP253 3.6 51.5 1.0
CB D:ASP253 4.0 48.6 1.0
CE1 D:HIS257 4.3 53.2 1.0
NZ A:LYS98 4.4 50.5 1.0
CA D:ASP253 4.4 48.3 1.0
CB A:ASP89 4.5 50.0 1.0
O A:LEU85 4.5 50.6 1.0
OE2 A:GLU88 4.5 53.7 1.0
O D:ASP253 4.6 48.5 1.0
NE2 D:HIS257 4.7 53.4 1.0
OD2 D:ASP256 4.7 58.0 1.0
CA A:ASP89 4.9 49.2 1.0
C D:ASP253 4.9 48.5 1.0
N A:ASP89 5.0 48.8 1.0

Reference:

S.Eshaghi, D.Niegowski, A.Kohl, D.Martinez Molina, S.A.Lesley, P.Nordlund. Crystal Structure of A Divalent Metal Ion Transporter Cora at 2.9 Angstrom Resolution. Science V. 313 354 2006.
ISSN: ISSN 0036-8075
PubMed: 16857941
DOI: 10.1126/SCIENCE.1127121
Page generated: Mon Dec 14 07:27:48 2020

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