Atomistry » Magnesium » PDB 1ozf-1php » 1pcq
Atomistry »
  Magnesium »
    PDB 1ozf-1php »
      1pcq »

Magnesium 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
Aluminium (Al) 7 atoms
Potassium (K) 7 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 7 in 1pcq

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


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:2.1
occ:1.00
F1 A:AF3602 1.8 7.3 1.0
O2A A:ADP600 1.8 2.2 1.0
O1B A:ADP600 1.8 2.0 1.0
OD1 A:ASP87 2.5 2.4 1.0
PA A:ADP600 2.9 2.9 1.0
PB A:ADP600 3.0 2.6 1.0
O5' A:ADP600 3.1 3.4 1.0
OD2 A:ASP87 3.2 2.6 1.0
CG A:ASP87 3.3 2.8 1.0
O3A A:ADP600 3.4 3.8 1.0
AL A:AF3602 3.5 12.2 1.0
O3B A:ADP600 3.8 2.9 1.0
O1A A:ADP600 4.2 2.0 1.0
O2B A:ADP600 4.3 2.0 1.0
O A:SER151 4.4 2.4 1.0
C5' A:ADP600 4.5 4.4 1.0
N A:GLY88 4.5 2.0 1.0
F2 A:AF3602 4.7 8.7 1.0
CB A:ASP87 4.8 2.8 1.0
F3 A:AF3602 4.8 5.5 1.0
CA A:SER151 4.8 2.0 1.0
OD2 A:ASP398 4.9 9.2 1.0
C3' A:ADP600 5.0 6.1 1.0

Magnesium binding site 2 out of 7 in 1pcq

Go back to Magnesium Binding Sites List in 1pcq
Magnesium binding site 2 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:2.0
occ:1.00
F1 B:AF3702 1.8 7.5 1.0
O2A B:ADP700 1.8 2.2 1.0
O1B B:ADP700 2.1 2.0 1.0
OD1 B:ASP87 2.4 2.4 1.0
PA B:ADP700 3.0 2.7 1.0
OD2 B:ASP87 3.1 2.9 1.0
CG B:ASP87 3.2 3.0 1.0
PB B:ADP700 3.3 2.5 1.0
O5' B:ADP700 3.3 3.5 1.0
O3A B:ADP700 3.6 3.5 1.0
AL B:AF3702 3.6 12.2 1.0
O3B B:ADP700 4.0 2.7 1.0
O B:SER151 4.2 2.4 1.0
O1A B:ADP700 4.3 2.0 1.0
OD2 B:ASP398 4.5 9.0 1.0
O2B B:ADP700 4.5 2.0 1.0
N B:GLY88 4.6 2.0 1.0
CA B:SER151 4.7 2.1 1.0
CB B:ASP87 4.7 2.6 1.0
C5' B:ADP700 4.7 4.4 1.0
F2 B:AF3702 4.7 8.5 1.0
C B:SER151 4.9 2.0 1.0
F3 B:AF3702 4.9 5.3 1.0
OG B:SER151 4.9 3.0 1.0

Magnesium binding site 3 out of 7 in 1pcq

Go back to Magnesium Binding Sites List in 1pcq
Magnesium binding site 3 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg801

b:2.0
occ:1.00
O2A C:ADP800 1.7 2.0 1.0
F1 C:AF3802 1.8 7.3 1.0
O1B C:ADP800 2.1 2.1 1.0
OD1 C:ASP87 2.5 2.5 1.0
PA C:ADP800 2.9 2.5 1.0
OD2 C:ASP87 3.2 2.6 1.0
O5' C:ADP800 3.2 3.4 1.0
PB C:ADP800 3.3 2.1 1.0
CG C:ASP87 3.3 3.1 1.0
O3A C:ADP800 3.5 3.7 1.0
AL C:AF3802 3.6 12.4 1.0
O3B C:ADP800 4.0 2.7 1.0
O C:SER151 4.2 2.1 1.0
O1A C:ADP800 4.3 2.0 1.0
O2B C:ADP800 4.5 2.0 1.0
OD2 C:ASP398 4.5 9.4 1.0
C5' C:ADP800 4.6 4.2 1.0
CA C:SER151 4.7 2.0 1.0
N C:GLY88 4.7 2.0 1.0
F2 C:AF3802 4.7 8.8 1.0
CB C:ASP87 4.8 2.8 1.0
F3 C:AF3802 4.9 5.2 1.0
C C:SER151 4.9 2.0 1.0

Magnesium binding site 4 out of 7 in 1pcq

Go back to Magnesium Binding Sites List in 1pcq
Magnesium binding site 4 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg901

b:2.0
occ:1.00
O2A D:ADP900 1.8 2.0 1.0
F1 D:AF3902 1.8 7.7 1.0
O1B D:ADP900 1.9 2.0 1.0
OD1 D:ASP87 2.5 2.3 1.0
PA D:ADP900 2.9 2.3 1.0
PB D:ADP900 3.1 2.0 1.0
OD2 D:ASP87 3.1 2.6 1.0
O5' D:ADP900 3.1 3.7 1.0
CG D:ASP87 3.2 3.0 1.0
O3A D:ADP900 3.4 3.4 1.0
AL D:AF3902 3.6 12.3 1.0
O3B D:ADP900 3.8 2.6 1.0
O1A D:ADP900 4.2 2.0 1.0
O2B D:ADP900 4.3 2.0 1.0
O D:SER151 4.4 2.5 1.0
C5' D:ADP900 4.6 4.3 1.0
N D:GLY88 4.6 2.0 1.0
CB D:ASP87 4.8 2.8 1.0
F2 D:AF3902 4.8 8.9 1.0
CA D:SER151 4.8 2.0 1.0
OD2 D:ASP398 4.9 9.0 1.0
F3 D:AF3902 4.9 5.6 1.0
C3' D:ADP900 4.9 6.0 1.0

Magnesium binding site 5 out of 7 in 1pcq

Go back to Magnesium Binding Sites List in 1pcq
Magnesium binding site 5 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg1001

b:2.0
occ:1.00
O2A E:ADP1000 1.8 2.3 1.0
F1 E:AF31002 1.9 7.5 1.0
O1B E:ADP1000 2.0 2.0 1.0
OD1 E:ASP87 2.5 2.4 1.0
PA E:ADP1000 3.0 2.8 1.0
OD2 E:ASP87 3.1 2.8 1.0
CG E:ASP87 3.2 3.0 1.0
PB E:ADP1000 3.2 2.1 1.0
O5' E:ADP1000 3.3 3.5 1.0
O3A E:ADP1000 3.5 3.4 1.0
AL E:AF31002 3.6 12.1 1.0
O3B E:ADP1000 3.9 2.8 1.0
O E:SER151 4.2 2.4 1.0
O1A E:ADP1000 4.3 2.0 1.0
O2B E:ADP1000 4.5 2.0 1.0
N E:GLY88 4.6 2.0 1.0
OD2 E:ASP398 4.6 9.1 1.0
C5' E:ADP1000 4.7 4.4 1.0
CA E:SER151 4.7 2.0 1.0
CB E:ASP87 4.7 2.6 1.0
F2 E:AF31002 4.7 8.5 1.0
F3 E:AF31002 4.9 5.4 1.0
C E:SER151 4.9 2.0 1.0
OG E:SER151 5.0 2.9 1.0

Magnesium binding site 6 out of 7 in 1pcq

Go back to Magnesium Binding Sites List in 1pcq
Magnesium binding site 6 out of 7 in the Crystal Structure of Groel-Groes


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1101

b:2.0
occ:1.00
O2A F:ADP1100 1.7 2.1 1.0
F1 F:AF31102 1.8 7.6 1.0
O1B F:ADP1100 2.0 2.0 1.0
OD1 F:ASP87 2.5 2.5 1.0
PA F:ADP1100 2.9 2.6 1.0
OD2 F:ASP87 3.2 2.8 1.0
PB F:ADP1100 3.2 2.0 1.0
CG F:ASP87 3.2 3.0 1.0
O5' F:ADP1100 3.3 3.3 1.0
O3A F:ADP1100 3.4 3.4 1.0
AL F:AF31102 3.6 12.1 1.0
O3B F:ADP1100 3.9 2.7 1.0
O1A F:ADP1100 4.2 2.0 1.0
O F:SER151 4.3 2.2 1.0
O2B F:ADP1100 4.5 2.0 1.0
N F:GLY88 4.6 2.0 1.0
OD2 F:ASP398 4.6 9.2 1.0
C5' F:ADP1100 4.7 4.2 1.0
F2 F:AF31102 4.7 8.7 1.0
CB F:ASP87 4.7 2.7 1.0
CA F:SER151 4.8 2.0 1.0
F3 F:AF31102 4.8 5.7 1.0
K F:K1103 5.0 24.0 1.0

Magnesium binding site 7 out of 7 in 1pcq

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


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 Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg1201

b:2.0
occ:1.00
F1 G:AF31202 1.7 7.4 1.0
O2A G:ADP1200 1.8 2.0 1.0
O1B G:ADP1200 2.0 2.0 1.0
OD1 G:ASP87 2.4 2.6 1.0
PA G:ADP1200 3.0 2.4 1.0
OD2 G:ASP87 3.2 2.4 1.0
PB G:ADP1200 3.2 2.3 1.0
CG G:ASP87 3.2 2.9 1.0
O5' G:ADP1200 3.3 3.6 1.0
O3A G:ADP1200 3.5 3.5 1.0
AL G:AF31202 3.6 12.2 1.0
O3B G:ADP1200 3.9 2.7 1.0
O1A G:ADP1200 4.3 2.0 1.0
O G:SER151 4.3 2.3 1.0
O2B G:ADP1200 4.5 2.1 1.0
OD2 G:ASP398 4.6 9.1 1.0
N G:GLY88 4.6 2.0 1.0
F2 G:AF31202 4.6 8.8 1.0
C5' G:ADP1200 4.7 4.2 1.0
CB G:ASP87 4.7 2.7 1.0
CA G:SER151 4.8 2.0 1.0
F3 G:AF31202 4.8 5.3 1.0
C G:SER151 5.0 2.0 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: Tue Aug 13 10:50:45 2024

Last articles

Br in 2WAJ
Br in 2W6M
Br in 2W36
Br in 2VQU
Br in 2W0S
Br in 2VR4
Br in 2VQT
Br in 2VUM
Br in 2VOT
Br in 2VQS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy