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Potassium in PDB 4ki8: Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State

Protein crystallography data

The structure of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State, PDB code: 4ki8 was solved by X.Fei, D.Yang, N.Laronde-Leblanc, G.H.Lorimer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.17 / 2.72
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 235.222, 141.655, 156.693, 90.00, 113.84, 90.00
R / Rfree (%) 16.6 / 20.3

Other elements in 4ki8:

The structure of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms
Calcium (Ca) 11 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State (pdb code 4ki8). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 9 binding sites of Potassium where determined in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State, PDB code: 4ki8:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Potassium binding site 1 out of 9 in 4ki8

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Potassium binding site 1 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K603

b:58.1
occ:1.00
O1A A:ADP601 2.5 60.9 1.0
O A:THR30 2.6 35.3 1.0
O A:HOH768 2.6 47.4 1.0
O A:HOH770 2.6 61.2 1.0
O A:LYS51 2.7 31.9 1.0
O A:HOH720 2.8 95.1 1.0
O A:HOH742 2.8 91.5 1.0
PA A:ADP601 3.7 51.8 1.0
C A:LYS51 3.8 32.1 1.0
C A:THR30 3.8 37.1 1.0
O A:HOH771 3.9 66.6 1.0
O A:GLY32 4.1 42.1 1.0
O2A A:ADP601 4.1 39.7 1.0
ND2 A:ASN153 4.2 86.2 1.0
N A:GLY32 4.2 35.0 1.0
CB A:LYS51 4.3 30.8 1.0
OD1 A:ASN153 4.4 87.0 1.0
CB A:THR30 4.5 32.8 1.0
OG1 A:THR30 4.6 31.4 1.0
CA A:LYS51 4.6 38.1 1.0
CA A:LEU31 4.6 27.4 1.0
N A:ASP52 4.6 27.8 1.0
CA A:ASP52 4.6 25.7 1.0
N A:LEU31 4.6 41.5 1.0
CA A:THR30 4.7 23.0 1.0
CG A:ASN153 4.7 76.9 1.0
C A:LEU31 4.7 34.5 1.0
O5' A:ADP601 4.8 55.7 1.0
O3A A:ADP601 4.8 75.2 1.0
C A:GLY32 4.9 39.2 1.0
N A:GLY53 4.9 37.5 1.0

Potassium binding site 2 out of 9 in 4ki8

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Potassium binding site 2 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K603

b:62.2
occ:1.00
O1A B:ADP601 2.5 62.7 1.0
O B:LYS51 2.6 43.4 1.0
O B:HOH782 2.7 48.5 1.0
O B:HOH783 2.7 60.5 0.9
O B:THR30 2.7 35.3 1.0
O B:HOH784 3.1 62.0 1.0
PA B:ADP601 3.5 43.0 1.0
C B:LYS51 3.7 32.0 1.0
O B:HOH758 3.8 51.2 1.0
C B:THR30 3.9 37.7 1.0
O2A B:ADP601 3.9 30.3 1.0
O3A B:ADP601 4.2 0.6 1.0
O B:HOH761 4.2 63.4 1.0
OG1 B:THR30 4.2 32.5 1.0
CA B:ASP52 4.2 27.2 1.0
CB B:THR30 4.3 36.9 1.0
N B:ASP52 4.4 27.8 1.0
ND2 B:ASN153 4.4 67.3 1.0
N B:GLY53 4.4 29.1 1.0
CB B:LYS51 4.6 29.2 1.0
N B:GLY32 4.6 35.8 1.0
O B:GLY32 4.6 38.2 1.0
CA B:THR30 4.7 31.8 1.0
CA B:LYS51 4.7 28.5 1.0
N B:LEU31 4.8 38.5 1.0
CA B:LEU31 4.8 23.6 1.0
O5' B:ADP601 4.9 46.3 1.0
O B:HOH728 4.9 66.5 1.0
C B:ASP52 4.9 33.5 1.0

Potassium binding site 3 out of 9 in 4ki8

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Potassium binding site 3 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K603

b:79.3
occ:1.00
O C:THR30 2.7 37.1 1.0
O C:HOH766 2.7 54.8 1.0
O C:HOH721 2.9 42.8 0.6
O2A C:ADP601 2.9 60.6 1.0
O C:LYS51 3.0 48.2 1.0
O C:HOH767 3.1 68.2 1.0
O C:GLY32 3.6 55.4 1.0
C C:THR30 3.9 31.6 1.0
PA C:ADP601 4.1 48.9 1.0
C C:LYS51 4.1 36.1 1.0
O1A C:ADP601 4.4 43.7 1.0
CB C:LYS51 4.4 32.0 1.0
N C:GLY32 4.4 34.1 1.0
CB C:THR30 4.5 31.9 1.0
OD1 C:ASN153 4.6 88.3 1.0
C C:GLY32 4.6 40.2 1.0
OG1 C:THR30 4.7 36.4 1.0
CA C:THR30 4.7 29.1 1.0
N C:LEU31 4.8 32.3 1.0
CA C:LEU31 4.8 27.5 1.0
C C:LEU31 4.8 34.9 1.0
CA C:LYS51 4.9 38.9 1.0
CG C:ASN153 5.0 80.4 1.0
O5' C:ADP601 5.0 64.6 1.0
N C:ASP52 5.0 30.3 1.0

Potassium binding site 4 out of 9 in 4ki8

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Potassium binding site 4 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K603

b:64.8
occ:1.00
O D:HOH767 2.5 52.2 0.9
O1A D:ADP601 2.5 70.5 1.0
O D:HOH766 2.6 54.6 1.0
O D:LYS51 2.6 46.5 1.0
O D:HOH768 2.6 66.3 1.0
O D:THR30 2.7 40.2 1.0
O D:HOH783 3.1 69.2 0.9
ND2 D:ASN153 3.4 0.4 1.0
O D:HOH716 3.4 74.9 1.0
C D:LYS51 3.6 35.7 1.0
PA D:ADP601 3.8 54.7 1.0
C D:THR30 3.8 38.1 1.0
CB D:LYS51 4.1 38.0 1.0
O2A D:ADP601 4.2 36.1 1.0
CA D:ASP52 4.3 29.5 1.0
N D:ASP52 4.4 29.7 1.0
CB D:THR30 4.4 28.6 1.0
N D:GLY32 4.5 43.8 1.0
CA D:LYS51 4.5 33.1 1.0
OG1 D:THR30 4.6 39.6 1.0
CG D:ASN153 4.6 0.7 1.0
CA D:THR30 4.7 30.1 1.0
CA D:LEU31 4.7 39.6 1.0
N D:LEU31 4.7 48.4 1.0
O5' D:ADP601 4.8 42.2 1.0
N D:GLY53 4.8 31.6 1.0
O D:GLY32 4.8 57.7 1.0
O3A D:ADP601 4.9 80.7 1.0
C D:LEU31 4.9 41.5 1.0

Potassium binding site 5 out of 9 in 4ki8

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Potassium binding site 5 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K603

b:89.4
occ:1.00
O E:THR30 2.6 48.7 1.0
O E:HOH714 2.8 87.5 1.0
O1A E:ADP601 2.9 60.0 1.0
O E:HOH712 3.0 0.5 1.0
O E:HOH713 3.0 89.5 1.0
O E:GLY32 3.1 62.0 1.0
O E:HOH746 3.4 63.1 1.0
O E:HOH747 3.7 80.6 1.0
C E:THR30 3.8 47.2 1.0
N E:GLY32 4.0 41.4 1.0
O E:LYS51 4.0 52.5 1.0
C E:GLY32 4.1 50.9 1.0
PA E:ADP601 4.2 57.8 1.0
OD1 E:ASN153 4.3 93.7 1.0
C E:LEU31 4.4 49.9 1.0
CA E:GLY32 4.6 47.2 1.0
O2A E:ADP601 4.6 64.2 1.0
CA E:LEU31 4.7 49.2 1.0
CB E:THR30 4.7 42.6 1.0
N E:LEU31 4.7 51.8 1.0
CA E:THR30 4.8 39.9 1.0
OG1 E:THR30 4.8 44.7 1.0

Potassium binding site 6 out of 9 in 4ki8

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Potassium binding site 6 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


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 A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K603

b:60.9
occ:1.00
O F:HOH745 2.5 85.8 1.0
O F:HOH743 2.6 47.4 1.0
O F:THR30 2.6 37.5 1.0
O F:HOH744 2.6 55.6 1.0
O F:LYS51 2.7 53.4 1.0
O1A F:ADP601 2.7 51.6 1.0
PA F:ADP601 3.7 51.5 1.0
C F:THR30 3.8 35.4 1.0
C F:LYS51 3.8 32.6 1.0
O2A F:ADP601 3.9 38.1 1.0
O F:HOH708 3.9 71.2 1.0
O F:GLY32 4.3 50.0 1.0
O3A F:ADP601 4.3 74.4 1.0
CB F:THR30 4.4 30.6 1.0
CB F:LYS51 4.4 27.7 1.0
N F:GLY32 4.4 37.5 1.0
OG1 F:THR30 4.4 39.0 1.0
CA F:ASP52 4.6 38.2 1.0
N F:ASP52 4.6 32.7 1.0
CA F:THR30 4.6 26.8 1.0
OD1 F:ASN153 4.6 0.7 1.0
CG F:ASN153 4.7 0.6 1.0
CA F:LYS51 4.7 35.0 1.0
N F:LEU31 4.7 31.2 1.0
CA F:LEU31 4.7 34.5 1.0
ND2 F:ASN153 4.8 0.9 1.0
C F:LEU31 4.8 41.4 1.0
N F:GLY53 4.8 37.6 1.0

Potassium binding site 7 out of 9 in 4ki8

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Potassium binding site 7 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K605

b:0.7
occ:1.00
O F:HOH759 2.8 85.1 1.0
OE1 F:GLU483 2.8 0.1 1.0
OE2 F:GLU460 3.2 73.5 1.0
O G:HOH785 3.3 86.4 1.0
O G:HOH768 3.5 69.8 1.0
CD F:GLU460 3.8 69.1 1.0
OE1 F:GLU460 4.0 70.8 1.0
CD F:GLU483 4.1 0.5 1.0
OE2 F:GLU483 4.8 99.2 1.0
CG F:GLU460 5.0 55.2 1.0

Potassium binding site 8 out of 9 in 4ki8

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Potassium binding site 8 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K603

b:65.6
occ:1.00
O1A G:ADP601 2.5 64.1 1.0
O G:HOH766 2.6 57.3 1.0
O G:HOH762 2.6 51.1 1.0
O G:THR30 2.7 34.0 1.0
O G:LYS51 2.7 42.5 1.0
O G:HOH765 2.7 77.5 1.0
O G:HOH763 2.9 66.3 1.0
PA G:ADP601 3.7 47.5 1.0
O G:HOH779 3.8 71.5 1.0
C G:LYS51 3.8 38.0 1.0
C G:THR30 3.8 41.9 1.0
O2A G:ADP601 4.1 42.2 1.0
CB G:THR30 4.3 31.6 1.0
OG1 G:THR30 4.3 27.9 1.0
CA G:ASP52 4.4 29.6 1.0
N G:GLY53 4.4 30.5 1.0
OD1 G:ASN153 4.5 77.4 1.0
N G:ASP52 4.5 32.4 1.0
CB G:LYS51 4.6 29.9 1.0
O3A G:ADP601 4.7 94.7 1.0
CA G:THR30 4.7 25.9 1.0
N G:LEU31 4.7 31.1 1.0
CA G:LEU31 4.7 31.9 1.0
O G:HOH733 4.8 54.2 1.0
N G:GLY32 4.8 34.5 1.0
O G:GLY32 4.8 45.2 1.0
CA G:LYS51 4.8 42.5 1.0
O5' G:ADP601 4.9 60.0 1.0
O G:HOH772 4.9 57.7 1.0
C G:ASP52 5.0 37.3 1.0

Potassium binding site 9 out of 9 in 4ki8

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Potassium binding site 9 out of 9 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K608

b:0.6
occ:1.00
OE2 G:GLU460 3.4 85.0 1.0
OE1 G:GLU483 3.4 0.5 1.0
O G:HOH775 3.5 84.9 1.0
O A:HOH739 3.5 89.7 1.0
OE2 G:GLU483 3.8 0.6 1.0
OD2 A:ASP115 3.9 63.6 1.0
ND2 A:ASN433 4.0 53.9 1.0
CD G:GLU483 4.0 1.0 1.0
CD G:GLU460 4.2 79.5 1.0
OE1 G:GLU460 4.3 82.2 1.0
CG A:ASN433 4.9 64.4 1.0
CG A:ASP115 4.9 56.4 1.0

Reference:

X.Fei, D.Yang, N.Laronde-Leblanc, G.H.Lorimer. Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State at 2.7 A Resolution. Proc.Natl.Acad.Sci.Usa V. 110 E2958 2013.
ISSN: ISSN 0027-8424
PubMed: 23861496
DOI: 10.1073/PNAS.1311996110
Page generated: Mon Aug 12 11:11:49 2024

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