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Sodium in PDB 8dq2: X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7

Protein crystallography data

The structure of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7, PDB code: 8dq2 was solved by J.J.Jung, C.-Y.Lin, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.11 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.107, 108.658, 44.697, 90, 90.02, 90
R / Rfree (%) 19 / 20.9

Other elements in 8dq2:

The structure of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 also contains other interesting chemical elements:

Lanthanum (La) 12 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 (pdb code 8dq2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7, PDB code: 8dq2:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 8dq2

Go back to Sodium Binding Sites List in 8dq2
Sodium binding site 1 out of 4 in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na204

b:28.0
occ:1.00
O A:LYS113 2.3 35.1 1.0
OD1 A:ASN109 2.3 39.0 1.0
OD1 A:ASP107 2.4 20.3 1.0
OD1 A:ASP111 2.5 23.7 1.0
OE2 A:GLU118 2.5 33.3 1.0
OE1 A:GLU118 2.5 29.8 1.0
O A:HOH322 2.7 28.9 1.0
CD A:GLU118 2.9 30.8 1.0
CG A:ASP111 3.3 25.4 1.0
CG A:ASN109 3.4 37.1 1.0
C A:LYS113 3.5 31.9 1.0
CG A:ASP107 3.6 19.9 1.0
OD2 A:ASP111 3.6 25.9 1.0
ND2 A:ASN109 3.9 39.4 1.0
CA A:ASP107 4.1 18.1 1.0
O A:HOH349 4.2 36.9 1.0
N A:LYS113 4.2 24.8 1.0
N A:ALA108 4.3 29.9 1.0
OD2 A:ASP107 4.4 20.9 1.0
N A:ASN109 4.4 33.4 1.0
N A:ASP111 4.4 24.6 1.0
CG A:GLU118 4.4 25.2 1.0
CA A:LYS113 4.4 25.0 1.0
CB A:ASP107 4.4 18.3 1.0
C A:ASP107 4.4 19.8 1.0
N A:LEU114 4.5 17.9 1.0
N A:LYS110 4.6 42.4 1.0
CA A:LEU114 4.6 17.3 1.0
CB A:ASP111 4.6 25.8 1.0
CD2 A:LEU114 4.7 15.1 1.0
CB A:ASN109 4.7 36.7 1.0
CB A:LYS113 4.8 24.6 1.0
N A:GLY112 4.9 32.4 1.0
CA A:ASN109 4.9 36.5 1.0
CA A:ASP111 4.9 25.1 1.0

Sodium binding site 2 out of 4 in 8dq2

Go back to Sodium Binding Sites List in 8dq2
Sodium binding site 2 out of 4 in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na205

b:28.0
occ:1.00
OD1 B:ASP111 2.4 30.7 1.0
O B:LYS113 2.4 32.5 1.0
OE1 B:GLU118 2.5 29.6 1.0
OD1 B:ASP107 2.5 21.7 1.0
OE2 B:GLU118 2.6 32.3 1.0
CD B:GLU118 2.9 29.8 1.0
O B:HOH315 3.0 22.1 1.0
CG B:ASP111 3.4 32.0 1.0
CB B:ASN109 3.6 46.0 1.0
N B:ASN109 3.6 43.0 1.0
CG B:ASP107 3.6 21.3 1.0
C B:LYS113 3.7 29.9 1.0
OD2 B:ASP111 3.8 32.8 1.0
CA B:ASN109 4.0 46.5 1.0
CA B:ASP107 4.1 18.9 1.0
N B:ALA108 4.1 23.1 1.0
N B:LYS110 4.1 41.2 1.0
C B:ASP107 4.2 21.6 1.0
N B:ASP111 4.2 28.1 1.0
N B:LYS113 4.3 24.4 1.0
C B:ASN109 4.4 46.3 1.0
CG B:GLU118 4.4 27.4 1.0
CB B:ASP107 4.4 17.4 1.0
CG B:ASN109 4.5 54.6 1.0
OD2 B:ASP107 4.5 22.1 1.0
CA B:LYS113 4.5 24.5 1.0
CB B:ASP111 4.6 28.9 1.0
N B:LEU114 4.6 18.7 1.0
C B:ALA108 4.7 26.5 1.0
CA B:LEU114 4.7 17.0 1.0
CD2 B:LEU114 4.8 15.0 1.0
OD1 B:ASN109 4.9 57.0 1.0
N B:GLY112 4.9 30.7 1.0
CA B:ASP111 4.9 28.4 1.0
CA B:ALA108 4.9 24.0 1.0
CB B:LYS113 4.9 26.3 1.0
O B:ASP107 4.9 21.8 1.0

Sodium binding site 3 out of 4 in 8dq2

Go back to Sodium Binding Sites List in 8dq2
Sodium binding site 3 out of 4 in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na204

b:28.0
occ:1.00
O C:LYS113 2.3 27.9 1.0
OD1 C:ASN109 2.4 49.5 1.0
OD1 C:ASP111 2.4 33.4 1.0
OD1 C:ASP107 2.4 32.5 1.0
OE2 C:GLU118 2.4 27.8 1.0
O C:HOH325 2.6 21.3 1.0
OE1 C:GLU118 2.7 30.1 1.0
CD C:GLU118 2.9 28.5 1.0
CG C:ASP111 3.3 33.9 1.0
CG C:ASN109 3.5 45.9 1.0
CG C:ASP107 3.5 33.0 1.0
C C:LYS113 3.5 21.4 1.0
OD2 C:ASP111 3.6 34.2 1.0
ND2 C:ASN109 4.0 43.7 1.0
N C:LYS113 4.2 29.4 1.0
CA C:ASP107 4.2 29.1 1.0
N C:ASP111 4.3 34.4 1.0
OD2 C:ASP107 4.3 34.1 1.0
N C:ALA108 4.3 28.7 1.0
CA C:LYS113 4.4 22.6 1.0
N C:ASN109 4.4 45.2 1.0
CG C:GLU118 4.4 26.0 1.0
CB C:ASP107 4.4 31.9 1.0
N C:LEU114 4.5 22.6 1.0
C C:ASP107 4.5 31.4 1.0
N C:LYS110 4.5 44.4 1.0
CB C:ASP111 4.5 32.9 1.0
CA C:LEU114 4.6 22.8 1.0
CD2 C:LEU114 4.7 18.8 1.0
CB C:ASN109 4.8 45.9 1.0
CB C:LYS113 4.8 25.1 1.0
CA C:ASP111 4.8 32.5 1.0
N C:GLY112 4.9 30.2 1.0
CA C:ASN109 4.9 47.3 1.0
C C:ASN109 5.0 45.5 1.0

Sodium binding site 4 out of 4 in 8dq2

Go back to Sodium Binding Sites List in 8dq2
Sodium binding site 4 out of 4 in the X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of X-Ray Crystal Structure of Hansschlegelia Quercus Lanmodulin (Lanm) with Lanthanum (III) Bound at pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na205

b:28.0
occ:1.00
O D:LYS113 2.3 34.1 1.0
OD1 D:ASN109 2.3 37.8 1.0
OD1 D:ASP111 2.4 34.3 1.0
OD1 D:ASP107 2.4 30.9 1.0
OE2 D:GLU118 2.4 29.6 1.0
OE1 D:GLU118 2.7 27.7 1.0
CD D:GLU118 2.9 27.2 1.0
O D:HOH317 2.9 32.7 1.0
CG D:ASP111 3.4 33.2 1.0
CG D:ASN109 3.4 38.9 1.0
C D:LYS113 3.5 28.1 1.0
CG D:ASP107 3.5 29.9 1.0
OD2 D:ASP111 3.8 35.6 1.0
ND2 D:ASN109 4.0 42.8 1.0
CA D:ASP107 4.1 30.0 1.0
N D:LYS113 4.1 33.2 1.0
N D:ALA108 4.1 30.0 1.0
N D:ASN109 4.2 33.8 1.0
N D:ASP111 4.2 36.3 1.0
C D:ASP107 4.3 31.1 1.0
OD2 D:ASP107 4.3 32.5 1.0
CA D:LYS113 4.3 29.9 1.0
CB D:ASP107 4.4 30.6 1.0
CG D:GLU118 4.4 25.1 1.0
N D:LYS110 4.4 43.3 1.0
N D:LEU114 4.5 27.1 1.0
CB D:ASP111 4.6 34.3 1.0
CA D:LEU114 4.6 25.7 1.0
CB D:ASN109 4.7 35.7 1.0
CD2 D:LEU114 4.7 29.3 1.0
CA D:ASN109 4.8 34.4 1.0
CB D:LYS113 4.8 30.9 1.0
N D:GLY112 4.8 31.5 1.0
CA D:ASP111 4.8 34.5 1.0
C D:ASN109 4.8 34.7 1.0

Reference:

J.A.Mattocks, J.J.Jung, C.Y.Lin, Z.Dong, N.H.Yennawar, E.R.Featherston, C.S.Kang-Yun, T.A.Hamilton, D.M.Park, A.K.Boal, J.A.Cotruvo. Enhanced Rare-Earth Separation with A Metal-Sensitive Lanmodulin Dimer Nature V. 618 87 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-05945-5
Page generated: Wed Oct 9 11:32:12 2024

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