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Potassium in PDB 1pcq: Crystal Structure of Groel-Groes

Protein crystallography data

The structure of Crystal Structure of Groel-Groes, PDB code: 1pcq was solved by C.Chaudhry, G.W.Farr, M.J.Todd, H.S.Rye, A.T.Brunger, P.D.Adams, A.L.Horwich, P.B.Sigler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.39 / 2.81
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 255.546, 266.855, 187.049, 90.00, 90.00, 90.00
R / Rfree (%) 26.2 / 27.8

Other elements in 1pcq:

The structure of Crystal Structure of Groel-Groes also contains other interesting chemical elements:

Fluorine (F) 21 atoms
Magnesium (Mg) 7 atoms
Aluminium (Al) 7 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Groel-Groes (pdb code 1pcq). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 7 binding sites of Potassium where determined in the Crystal Structure of Groel-Groes, PDB code: 1pcq:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7;

Potassium binding site 1 out of 7 in 1pcq

Go back to Potassium Binding Sites List in 1pcq
Potassium binding site 1 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K603

b:24.8
occ:1.00
 O A:LYS51 2.8 2.7 1.0
F3 A:AF3602 2.9 5.5 1.0
OG1 A:THR30 3.1 2.0 1.0
OG1 A:THR90 3.1 2.4 1.0
O A:THR30 3.1 3.6 1.0
O1A A:ADP600 3.3 2.0 1.0
O3A A:ADP600 3.4 3.8 1.0
PA A:ADP600 3.6 2.9 1.0
CB A:THR30 3.6 2.1 1.0
C A:THR30 3.7 2.6 1.0
O2A A:ADP600 3.7 2.2 1.0
C A:LYS51 3.9 3.0 1.0
AL A:AF3602 3.9 12.2 1.0
NZ A:LYS51 4.0 2.0 1.0
CG A:LYS51 4.0 2.6 1.0
CB A:THR90 4.0 2.1 1.0
F1 A:AF3602 4.0 7.3 1.0
O3B A:ADP600 4.2 2.9 1.0
N A:GLY53 4.2 2.6 1.0
N A:LEU31 4.3 2.8 1.0
CA A:THR30 4.4 2.0 1.0
CA A:LEU31 4.4 2.2 1.0
PB A:ADP600 4.4 2.6 1.0
CG2 A:THR90 4.6 2.0 1.0
CB A:LYS51 4.7 2.7 1.0
N A:ASP52 4.7 2.7 1.0
CA A:ASP52 4.7 2.5 1.0
CA A:LYS51 4.8 2.7 1.0
CE A:LYS51 4.8 2.0 1.0
CA A:GLY53 4.8 2.8 1.0
CG2 A:THR30 4.9 2.5 1.0
C A:ASP52 4.9 2.2 1.0

Potassium binding site 2 out of 7 in 1pcq

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Potassium binding site 2 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K703

b:24.4
occ:1.00
 O B:LYS51 2.8 2.4 1.0
F3 B:AF3702 2.9 5.3 1.0
OG1 B:THR90 3.1 2.6 1.0
O B:THR30 3.1 3.7 1.0
OG1 B:THR30 3.2 2.0 1.0
O1A B:ADP700 3.4 2.0 1.0
O3A B:ADP700 3.4 3.5 1.0
PA B:ADP700 3.6 2.7 1.0
O2A B:ADP700 3.7 2.2 1.0
CB B:THR30 3.7 2.2 1.0
C B:THR30 3.8 2.8 1.0
AL B:AF3702 3.8 12.2 1.0
NZ B:LYS51 3.9 2.0 1.0
C B:LYS51 3.9 2.9 1.0
F1 B:AF3702 4.0 7.5 1.0
CG B:LYS51 4.0 2.7 1.0
CB B:THR90 4.1 2.0 1.0
O3B B:ADP700 4.1 2.7 1.0
N B:GLY53 4.2 2.6 1.0
PB B:ADP700 4.4 2.5 1.0
CA B:THR30 4.4 2.1 1.0
N B:LEU31 4.4 2.7 1.0
CA B:LEU31 4.5 2.2 1.0
CG2 B:THR90 4.6 2.0 1.0
CB B:LYS51 4.7 2.4 1.0
CA B:ASP52 4.7 2.5 1.0
CE B:LYS51 4.8 2.1 1.0
N B:ASP52 4.8 2.6 1.0
CA B:LYS51 4.9 2.6 1.0
CA B:GLY53 4.9 2.7 1.0
C B:ASP52 5.0 2.3 1.0
CG2 B:THR30 5.0 2.4 1.0
CD B:LYS51 5.0 2.0 1.0

Potassium binding site 3 out of 7 in 1pcq

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Potassium binding site 3 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K803

b:24.4
occ:1.00
 O C:LYS51 2.8 2.6 1.0
F3 C:AF3802 2.9 5.2 1.0
O C:THR30 3.0 3.8 1.0
OG1 C:THR30 3.1 2.0 1.0
OG1 C:THR90 3.1 2.3 1.0
O1A C:ADP800 3.3 2.0 1.0
O3A C:ADP800 3.4 3.7 1.0
PA C:ADP800 3.6 2.5 1.0
CB C:THR30 3.6 2.1 1.0
C C:THR30 3.7 2.7 1.0
O2A C:ADP800 3.8 2.0 1.0
AL C:AF3802 3.8 12.4 1.0
C C:LYS51 3.9 2.8 1.0
CG C:LYS51 3.9 2.4 1.0
NZ C:LYS51 4.0 2.0 1.0
F1 C:AF3802 4.0 7.3 1.0
CB C:THR90 4.1 2.0 1.0
N C:GLY53 4.3 2.5 1.0
O3B C:ADP800 4.3 2.7 1.0
CA C:THR30 4.3 2.0 1.0
N C:LEU31 4.4 2.8 1.0
CA C:LEU31 4.4 2.2 1.0
PB C:ADP800 4.5 2.1 1.0
CG2 C:THR90 4.6 2.0 1.0
CB C:LYS51 4.6 2.3 1.0
N C:ASP52 4.7 2.6 1.0
CE C:LYS51 4.8 2.1 1.0
CA C:ASP52 4.8 2.7 1.0
CA C:LYS51 4.8 2.6 1.0
CG2 C:THR30 4.9 2.5 1.0
CA C:GLY53 4.9 2.7 1.0
CD C:LYS51 4.9 2.0 1.0
C C:ASP52 5.0 2.2 1.0

Potassium binding site 4 out of 7 in 1pcq

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Potassium binding site 4 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K903

b:24.5
occ:1.00
 O D:LYS51 2.9 2.5 1.0
F3 D:AF3902 3.0 5.6 1.0
O D:THR30 3.0 3.3 1.0
OG1 D:THR90 3.2 2.8 1.0
OG1 D:THR30 3.2 2.0 1.0
O1A D:ADP900 3.3 2.0 1.0
O3A D:ADP900 3.5 3.4 1.0
PA D:ADP900 3.6 2.3 1.0
O2A D:ADP900 3.7 2.0 1.0
CB D:THR30 3.7 2.1 1.0
C D:THR30 3.7 2.5 1.0
CG D:LYS51 3.9 2.6 1.0
NZ D:LYS51 3.9 2.0 1.0
AL D:AF3902 3.9 12.3 1.0
C D:LYS51 3.9 2.8 1.0
F1 D:AF3902 3.9 7.7 1.0
CB D:THR90 4.1 2.0 1.0
O3B D:ADP900 4.2 2.6 1.0
N D:GLY53 4.3 2.5 1.0
N D:LEU31 4.4 2.6 1.0
CA D:THR30 4.4 2.0 1.0
PB D:ADP900 4.4 2.0 1.0
CA D:LEU31 4.4 2.2 1.0
CB D:LYS51 4.6 2.6 1.0
CG2 D:THR90 4.7 2.0 1.0
CE D:LYS51 4.7 2.0 1.0
CA D:ASP52 4.7 2.6 1.0
N D:ASP52 4.7 2.7 1.0
CA D:LYS51 4.8 2.7 1.0
CD D:LYS51 4.9 2.0 1.0
CA D:GLY53 4.9 2.8 1.0
CG2 D:THR30 5.0 2.2 1.0
C D:ASP52 5.0 2.2 1.0

Potassium binding site 5 out of 7 in 1pcq

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Potassium binding site 5 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K1003

b:24.4
occ:1.00
 O E:LYS51 2.6 2.9 1.0
F3 E:AF31002 2.8 5.4 1.0
OG1 E:THR90 3.1 2.4 1.0
OG1 E:THR30 3.1 2.0 1.0
O E:THR30 3.3 3.6 1.0
O1A E:ADP1000 3.5 2.0 1.0
O3A E:ADP1000 3.5 3.4 1.0
CB E:THR30 3.7 2.0 1.0
PA E:ADP1000 3.7 2.8 1.0
AL E:AF31002 3.8 12.1 1.0
O2A E:ADP1000 3.8 2.3 1.0
C E:LYS51 3.8 3.0 1.0
C E:THR30 3.9 2.7 1.0
F1 E:AF31002 3.9 7.5 1.0
CG E:LYS51 4.0 2.6 1.0
N E:GLY53 4.0 2.5 1.0
NZ E:LYS51 4.0 2.0 1.0
CB E:THR90 4.0 2.0 1.0
O3B E:ADP1000 4.2 2.8 1.0
PB E:ADP1000 4.4 2.1 1.0
CA E:THR30 4.5 2.0 1.0
N E:LEU31 4.5 2.7 1.0
CA E:ASP52 4.6 2.6 1.0
CG2 E:THR90 4.6 2.0 1.0
CA E:LEU31 4.6 2.2 1.0
N E:ASP52 4.6 2.7 1.0
CB E:LYS51 4.6 2.4 1.0
CA E:GLY53 4.7 2.7 1.0
CA E:LYS51 4.8 2.6 1.0
C E:ASP52 4.8 2.2 1.0
CE E:LYS51 4.9 2.0 1.0
CG2 E:THR30 4.9 2.4 1.0
CD E:LYS51 5.0 2.1 1.0

Potassium binding site 6 out of 7 in 1pcq

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Potassium binding site 6 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K1103

b:24.0
occ:1.00
 O F:LYS51 2.8 2.7 1.0
F3 F:AF31102 2.9 5.7 1.0
O F:THR30 3.1 3.5 1.0
OG1 F:THR90 3.3 2.4 1.0
OG1 F:THR30 3.3 2.0 1.0
O1A F:ADP1100 3.4 2.0 1.0
O3A F:ADP1100 3.5 3.4 1.0
PA F:ADP1100 3.6 2.6 1.0
O2A F:ADP1100 3.6 2.1 1.0
AL F:AF31102 3.8 12.1 1.0
CB F:THR30 3.8 2.0 1.0
C F:THR30 3.9 2.5 1.0
C F:LYS51 3.9 2.8 1.0
F1 F:AF31102 3.9 7.6 1.0
NZ F:LYS51 3.9 2.0 1.0
CG F:LYS51 3.9 2.6 1.0
CB F:THR90 4.2 2.0 1.0
N F:GLY53 4.2 2.5 1.0
O3B F:ADP1100 4.2 2.7 1.0
PB F:ADP1100 4.4 2.0 1.0
CA F:THR30 4.5 2.1 1.0
N F:LEU31 4.6 2.6 1.0
CA F:LEU31 4.6 2.1 1.0
CB F:LYS51 4.6 2.5 1.0
CA F:ASP52 4.7 2.6 1.0
N F:ASP52 4.7 2.6 1.0
CG2 F:THR90 4.7 2.0 1.0
CE F:LYS51 4.8 2.0 1.0
CA F:LYS51 4.8 2.6 1.0
CD F:LYS51 4.9 2.0 1.0
CA F:GLY53 4.9 2.5 1.0
C F:ASP52 4.9 2.2 1.0
MG F:MG1101 5.0 2.0 1.0

Potassium binding site 7 out of 7 in 1pcq

Go back to Potassium Binding Sites List in 1pcq
Potassium binding site 7 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K1203

b:24.4
occ:1.00
 O G:LYS51 2.8 2.5 1.0
F3 G:AF31202 2.8 5.3 1.0
OG1 G:THR90 3.0 2.5 1.0
OG1 G:THR30 3.1 2.0 1.0
O G:THR30 3.2 3.7 1.0
O1A G:ADP1200 3.4 2.0 1.0
O3A G:ADP1200 3.5 3.5 1.0
PA G:ADP1200 3.7 2.4 1.0
CB G:THR30 3.7 2.1 1.0
O2A G:ADP1200 3.8 2.0 1.0
AL G:AF31202 3.8 12.2 1.0
C G:THR30 3.8 2.8 1.0
C G:LYS51 3.8 2.8 1.0
F1 G:AF31202 4.0 7.4 1.0
CG G:LYS51 4.0 2.6 1.0
CB G:THR90 4.0 2.0 1.0
N G:GLY53 4.1 2.7 1.0
NZ G:LYS51 4.2 2.0 1.0
O3B G:ADP1200 4.2 2.7 1.0
PB G:ADP1200 4.4 2.3 1.0
CA G:THR30 4.4 2.1 1.0
N G:LEU31 4.5 2.8 1.0
CA G:LEU31 4.5 2.2 1.0
CG2 G:THR90 4.6 2.0 1.0
CB G:LYS51 4.7 2.7 1.0
CA G:ASP52 4.7 2.6 1.0
N G:ASP52 4.7 2.6 1.0
CA G:LYS51 4.8 2.6 1.0
CA G:GLY53 4.8 2.7 1.0
CE G:LYS51 4.8 2.1 1.0
C G:ASP52 4.9 2.2 1.0
CG2 G:THR30 4.9 2.5 1.0

Reference:

C.Chaudhry, G.W.Farr, M.J.Todd, H.S.Rye, A.T.Brunger, P.D.Adams, A.L.Horwich, P.B.Sigler. Role of the Gamma-Phosphate of Atp in Triggering Protein Folding By Groel-Groes: Function, Structure and Energetics. Embo J. V. 22 4877 2003.
ISSN: ISSN 0261-4189
PubMed: 14517228
DOI: 10.1093/EMBOJ/CDG477
Page generated: Mon Aug 12 05:11:08 2024

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