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Potassium in PDB 4res: Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium

Enzymatic activity of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium

All present enzymatic activity of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium:
3.6.3.9;

Protein crystallography data

The structure of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium, PDB code: 4res was solved by M.Laursen, L.Yatime, J.L.Gregersen, P.Nissen, N.U.Fedosova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.90 / 3.41
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.910, 240.270, 152.700, 90.00, 102.28, 90.00
R / Rfree (%) 24.5 / 28.8

Other elements in 4res:

The structure of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium (pdb code 4res). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium, PDB code: 4res:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 4res

Go back to Potassium Binding Sites List in 4res
Potassium binding site 1 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K2003

b:0.3
occ:1.00
OD1 A:ASN776 2.7 64.2 1.0
O A:THR772 2.8 78.8 1.0
OD1 A:ASP804 2.9 85.6 1.0
OG A:SER775 2.9 65.2 1.0
CG A:ASN776 3.1 64.3 1.0
ND2 A:ASN776 3.2 64.9 1.0
OG1 A:THR772 3.3 79.8 1.0
CG A:ASP804 3.7 86.3 1.0
C A:THR772 3.7 79.0 1.0
OD2 A:ASP804 3.8 86.8 1.0
OE1 A:GLU779 3.9 94.3 1.0
N A:ASN776 4.0 62.4 1.0
CB A:PRO326 4.0 53.4 1.0
CB A:ASN776 4.2 64.2 1.0
CB A:SER775 4.3 64.6 1.0
CA A:ASN776 4.3 63.2 1.0
C A:SER775 4.4 65.4 1.0
CA A:PRO326 4.4 53.9 1.0
OE2 A:GLU779 4.4 95.5 1.0
CB A:THR772 4.4 79.5 1.0
CA A:THR772 4.5 78.8 1.0
CD A:GLU779 4.5 94.7 1.0
N A:LEU773 4.6 65.0 1.0
CA A:LEU773 4.7 65.5 1.0
CA A:SER775 4.7 64.8 1.0
N A:SER775 4.9 65.1 1.0
K A:K2004 5.0 54.9 1.0
O A:SER775 5.0 65.4 1.0
CB A:ASP804 5.0 86.8 1.0
CG A:PRO326 5.0 54.3 1.0

Potassium binding site 2 out of 6 in 4res

Go back to Potassium Binding Sites List in 4res
Potassium binding site 2 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K2004

b:54.9
occ:1.00
O A:ALA323 2.6 75.3 1.0
O A:VAL325 2.9 77.3 1.0
OE2 A:GLU327 2.9 85.5 1.0
O24 A:BUF2001 2.9 93.8 1.0
OD2 A:ASP804 3.2 86.8 1.0
C A:ALA323 3.5 76.4 1.0
OD1 A:ASN776 3.7 64.2 1.0
C A:VAL325 3.7 77.6 1.0
CD A:GLU327 3.8 85.5 1.0
C24 A:BUF2001 3.8 94.2 1.0
CA A:ALA323 3.9 76.8 1.0
OE2 A:GLU779 4.0 95.5 1.0
O A:VAL322 4.0 83.5 1.0
OE1 A:GLU327 4.2 84.6 1.0
N A:VAL325 4.2 78.4 1.0
N A:PRO326 4.4 54.9 1.0
O21 A:BUF2001 4.4 95.5 1.0
CG A:ASP804 4.4 86.3 1.0
CA A:PRO326 4.5 53.9 1.0
N A:ASN324 4.5 65.4 1.0
CA A:VAL325 4.6 78.8 1.0
C23 A:BUF2001 4.7 93.5 1.0
C A:ASN324 4.8 65.4 1.0
CG A:ASN776 4.8 64.3 1.0
C A:VAL322 4.9 84.1 1.0
CB A:ALA323 4.9 76.5 1.0
N A:ALA323 4.9 78.4 1.0
K A:K2003 5.0 0.3 1.0
CA A:ASN324 5.0 65.3 1.0
N A:GLU327 5.0 85.9 1.0
CG A:GLU327 5.0 87.1 1.0

Potassium binding site 3 out of 6 in 4res

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Potassium binding site 3 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K2005

b:0.8
occ:1.00
O A:LYS719 2.6 95.8 1.0
OD2 A:ASP740 2.7 0.4 1.0
OD1 A:ASP740 2.8 99.9 1.0
CG A:ASP740 3.1 99.9 1.0
C A:LYS719 3.5 96.5 1.0
O A:SER718 3.7 99.0 1.0
O A:ALA738 3.7 76.5 1.0
CA A:LYS719 3.8 96.0 1.0
O A:ALA721 3.8 56.5 1.0
CA A:GLY272 3.9 0.6 1.0
CD A:LYS719 4.0 95.4 1.0
C A:SER718 4.6 99.8 1.0
CB A:ASP740 4.6 99.5 1.0
CG A:LYS719 4.6 96.4 1.0
CE A:LYS719 4.7 95.7 1.0
N A:LYS719 4.7 96.4 1.0
N A:GLY272 4.8 1.0 1.0
N A:LYS720 4.8 86.8 1.0
CB A:LYS719 4.8 96.5 1.0
N A:GLY724 4.8 86.5 1.0
N A:ASP740 4.8 99.9 1.0
C A:ALA738 4.9 76.5 1.0
O A:GLY272 4.9 0.1 1.0
C A:GLY272 4.9 0.8 1.0

Potassium binding site 4 out of 6 in 4res

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Potassium binding site 4 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1104

b:92.6
occ:1.00
OD1 C:ASP804 2.8 70.5 1.0
OD1 C:ASN776 2.8 52.4 1.0
OG C:SER775 2.8 60.6 1.0
O C:THR772 2.8 0.2 1.0
CG C:ASN776 3.1 52.4 1.0
ND2 C:ASN776 3.3 52.7 1.0
OG1 C:THR772 3.3 0.9 1.0
CG C:ASP804 3.5 71.4 1.0
OD2 C:ASP804 3.7 72.2 1.0
C C:THR772 3.8 0.1 1.0
OE1 C:GLU779 3.9 66.5 1.0
N C:ASN776 4.0 50.2 1.0
CB C:PRO326 4.1 61.2 1.0
CB C:SER775 4.2 60.0 1.0
CB C:ASN776 4.2 52.3 1.0
CA C:ASN776 4.3 51.4 1.0
C C:SER775 4.3 61.3 1.0
OE2 C:GLU779 4.4 68.1 1.0
CA C:PRO326 4.4 62.0 1.0
CD C:GLU779 4.5 67.2 1.0
CB C:THR772 4.5 0.2 1.0
CA C:THR772 4.5 0.5 1.0
N C:LEU773 4.6 56.0 1.0
CA C:SER775 4.7 60.4 1.0
CA C:LEU773 4.7 56.9 1.0
N C:SER775 4.9 60.4 1.0
CB C:ASP804 4.9 71.7 1.0
K C:K1105 4.9 60.9 1.0
O C:SER775 4.9 61.5 1.0

Potassium binding site 5 out of 6 in 4res

Go back to Potassium Binding Sites List in 4res
Potassium binding site 5 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1105

b:60.9
occ:1.00
O C:ALA323 2.6 65.0 1.0
O C:VAL325 2.8 63.8 1.0
OE2 C:GLU327 2.9 90.0 1.0
O24 C:BUF1102 3.1 90.2 1.0
OD2 C:ASP804 3.3 72.2 1.0
C C:ALA323 3.4 66.3 1.0
C C:VAL325 3.6 63.9 1.0
OD1 C:ASN776 3.7 52.4 1.0
CD C:GLU327 3.8 89.8 1.0
C24 C:BUF1102 3.9 90.8 1.0
CA C:ALA323 3.9 67.0 1.0
O C:VAL322 4.0 68.7 1.0
OE2 C:GLU779 4.0 68.1 1.0
N C:VAL325 4.1 65.3 1.0
OE1 C:GLU327 4.2 88.7 1.0
N C:PRO326 4.3 63.3 1.0
CA C:PRO326 4.4 62.0 1.0
CG C:ASP804 4.5 71.4 1.0
N C:ASN324 4.5 78.3 1.0
CA C:VAL325 4.5 65.3 1.0
O21 C:BUF1102 4.5 92.4 1.0
C C:ASN324 4.7 77.7 1.0
CG C:ASN776 4.7 52.4 1.0
C23 C:BUF1102 4.8 90.3 1.0
C C:VAL322 4.9 69.6 1.0
CA C:ASN324 4.9 78.0 1.0
N C:ALA323 4.9 68.8 1.0
N C:GLU327 4.9 89.7 1.0
K C:K1104 4.9 92.6 1.0
CB C:ALA323 4.9 66.9 1.0

Potassium binding site 6 out of 6 in 4res

Go back to Potassium Binding Sites List in 4res
Potassium binding site 6 out of 6 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1106

b:69.5
occ:1.00
O C:LYS719 2.6 0.9 1.0
OD2 C:ASP740 2.7 99.9 1.0
OD1 C:ASP740 2.8 99.8 1.0
CG C:ASP740 3.1 99.7 1.0
C C:LYS719 3.5 0.3 1.0
O C:SER718 3.7 0.5 1.0
O C:ALA738 3.7 0.0 1.0
CA C:LYS719 3.7 0.9 1.0
O C:ALA721 3.9 68.2 1.0
CD C:LYS719 3.9 0.7 1.0
CA C:GLY272 4.0 0.2 1.0
C C:SER718 4.6 0.0 1.0
CB C:ASP740 4.6 99.5 1.0
CE C:LYS719 4.6 0.0 1.0
CG C:LYS719 4.6 0.4 1.0
N C:LYS719 4.7 0.1 1.0
N C:LYS720 4.7 76.6 1.0
CB C:LYS719 4.7 0.4 1.0
N C:GLY724 4.8 0.4 1.0
N C:ASP740 4.8 99.8 1.0
N C:GLY272 4.9 0.6 1.0
C C:ALA738 4.9 1.0 1.0

Reference:

M.Laursen, J.L.Gregersen, L.Yatime, P.Nissen, N.U.Fedosova. Structures and Characterization of Digoxin- and Bufalin-Bound Na+,K+-Atpase Compared with the Ouabain-Bound Complex. Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490
PubMed: 25624492
DOI: 10.1073/PNAS.1422997112
Page generated: Mon Aug 12 11:58:36 2024

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