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Aluminium 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
Potassium (K) 7 atoms

Aluminium Binding Sites:

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

Aluminium binding site 1 out of 7 in 1pcq

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Aluminium binding site 1 out of 7 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Al602

b:12.2
occ:1.00
 AL A:AF3602 0.0 12.2 1.0
F3 A:AF3602 1.8 5.5 1.0
F1 A:AF3602 1.8 7.3 1.0
F2 A:AF3602 1.8 8.7 1.0
O3B A:ADP600 2.0 2.9 1.0
PB A:ADP600 3.0 2.6 1.0
O1B A:ADP600 3.1 2.0 1.0
OD1 A:ASP87 3.1 2.4 1.0
OG1 A:THR89 3.3 2.8 1.0
MG A:MG601 3.5 2.1 1.0
O2A A:ADP600 3.7 2.2 1.0
O3A A:ADP600 3.7 3.8 1.0
K A:K603 3.9 24.8 1.0
OD2 A:ASP398 3.9 9.2 1.0
N A:GLY88 4.0 2.0 1.0
OD1 A:ASP52 4.0 7.8 1.0
N A:THR89 4.2 2.4 1.0
N A:GLY53 4.2 2.6 1.0
OG1 A:THR90 4.3 2.4 1.0
N A:THR90 4.3 2.0 1.0
CG A:ASP87 4.3 2.8 1.0
O2B A:ADP600 4.3 2.0 1.0
PA A:ADP600 4.4 2.9 1.0
CB A:THR89 4.6 2.0 1.0
CA A:ASP87 4.6 2.4 1.0
C A:ASP87 4.7 2.0 1.0
CA A:GLY88 4.7 2.0 1.0
CA A:ASP52 4.8 2.5 1.0
C A:GLY88 4.8 2.3 1.0
CB A:THR90 4.8 2.1 1.0
CA A:THR89 4.9 2.0 1.0
CG2 A:THR89 5.0 2.0 1.0
CA A:GLY53 5.0 2.8 1.0

Aluminium binding site 2 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Al702

b:12.2
occ:1.00
 AL B:AF3702 0.0 12.2 1.0
F3 B:AF3702 1.8 5.3 1.0
F2 B:AF3702 1.8 8.5 1.0
F1 B:AF3702 1.8 7.5 1.0
O3B B:ADP700 2.0 2.7 1.0
PB B:ADP700 3.0 2.5 1.0
O1B B:ADP700 3.1 2.0 1.0
OD1 B:ASP87 3.1 2.4 1.0
OG1 B:THR89 3.3 2.7 1.0
MG B:MG701 3.6 2.0 1.0
O3A B:ADP700 3.8 3.5 1.0
O2A B:ADP700 3.8 2.2 1.0
K B:K703 3.8 24.4 1.0
OD2 B:ASP398 3.9 9.0 1.0
N B:GLY88 3.9 2.0 1.0
OD1 B:ASP52 4.0 7.3 1.0
OG1 B:THR90 4.1 2.6 1.0
N B:THR89 4.1 2.4 1.0
N B:GLY53 4.2 2.6 1.0
N B:THR90 4.3 2.0 1.0
O2B B:ADP700 4.3 2.0 1.0
CG B:ASP87 4.4 3.0 1.0
PA B:ADP700 4.4 2.7 1.0
CB B:THR89 4.6 2.0 1.0
C B:ASP87 4.7 2.0 1.0
CA B:GLY88 4.7 2.0 1.0
CA B:ASP87 4.7 2.4 1.0
CB B:THR90 4.8 2.0 1.0
C B:GLY88 4.8 2.2 1.0
CA B:ASP52 4.8 2.5 1.0
CA B:THR89 4.8 2.0 1.0
CA B:GLY53 4.9 2.7 1.0
C B:ASP52 5.0 2.3 1.0
CG2 B:THR89 5.0 2.0 1.0

Aluminium binding site 3 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Al802

b:12.4
occ:1.00
 AL C:AF3802 0.0 12.4 1.0
F3 C:AF3802 1.8 5.2 1.0
F1 C:AF3802 1.8 7.3 1.0
F2 C:AF3802 1.8 8.8 1.0
O3B C:ADP800 2.1 2.7 1.0
PB C:ADP800 3.1 2.1 1.0
O1B C:ADP800 3.1 2.1 1.0
OD1 C:ASP87 3.2 2.5 1.0
OG1 C:THR89 3.4 2.5 1.0
MG C:MG801 3.6 2.0 1.0
O3A C:ADP800 3.7 3.7 1.0
O2A C:ADP800 3.7 2.0 1.0
OD2 C:ASP398 3.8 9.4 1.0
K C:K803 3.8 24.4 1.0
OD1 C:ASP52 4.0 7.6 1.0
N C:GLY88 4.1 2.0 1.0
OG1 C:THR90 4.1 2.3 1.0
N C:GLY53 4.1 2.5 1.0
N C:THR89 4.3 2.3 1.0
N C:THR90 4.4 2.0 1.0
CG C:ASP87 4.4 3.1 1.0
PA C:ADP800 4.4 2.5 1.0
O2B C:ADP800 4.4 2.0 1.0
CB C:THR89 4.7 2.0 1.0
CA C:ASP87 4.7 2.4 1.0
CA C:ASP52 4.7 2.7 1.0
C C:ASP87 4.8 2.1 1.0
CB C:THR90 4.8 2.0 1.0
CA C:GLY88 4.8 2.1 1.0
C C:GLY88 4.9 2.4 1.0
C C:ASP52 4.9 2.2 1.0
CA C:THR89 4.9 2.0 1.0
CA C:GLY53 5.0 2.7 1.0
CG C:ASP398 5.0 6.6 1.0

Aluminium binding site 4 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 4 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Al902

b:12.3
occ:1.00
 AL D:AF3902 0.0 12.3 1.0
F3 D:AF3902 1.8 5.6 1.0
F2 D:AF3902 1.8 8.9 1.0
F1 D:AF3902 1.8 7.7 1.0
O3B D:ADP900 2.1 2.6 1.0
PB D:ADP900 3.1 2.0 1.0
O1B D:ADP900 3.2 2.0 1.0
OD1 D:ASP87 3.2 2.3 1.0
OG1 D:THR89 3.3 2.9 1.0
MG D:MG901 3.6 2.0 1.0
O2A D:ADP900 3.8 2.0 1.0
O3A D:ADP900 3.9 3.4 1.0
OD2 D:ASP398 3.9 9.0 1.0
OD1 D:ASP52 3.9 7.5 1.0
K D:K903 3.9 24.5 1.0
N D:GLY88 4.0 2.0 1.0
N D:GLY53 4.1 2.5 1.0
OG1 D:THR90 4.2 2.8 1.0
N D:THR89 4.2 2.1 1.0
N D:THR90 4.3 2.0 1.0
CG D:ASP87 4.4 3.0 1.0
O2B D:ADP900 4.4 2.0 1.0
PA D:ADP900 4.5 2.3 1.0
CB D:THR89 4.6 2.0 1.0
C D:ASP87 4.7 2.0 1.0
CA D:ASP87 4.7 2.4 1.0
CA D:ASP52 4.7 2.6 1.0
CA D:GLY88 4.8 2.0 1.0
CB D:THR90 4.8 2.0 1.0
CA D:THR89 4.9 2.0 1.0
C D:GLY88 4.9 2.1 1.0
CA D:GLY53 4.9 2.8 1.0
C D:ASP52 4.9 2.2 1.0
CG2 D:THR89 5.0 2.0 1.0

Aluminium binding site 5 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 5 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Al1002

b:12.1
occ:1.00
 AL E:AF31002 0.0 12.1 1.0
F3 E:AF31002 1.8 5.4 1.0
F2 E:AF31002 1.8 8.5 1.0
F1 E:AF31002 1.8 7.5 1.0
O3B E:ADP1000 2.1 2.8 1.0
PB E:ADP1000 3.1 2.1 1.0
OD1 E:ASP87 3.2 2.4 1.0
O1B E:ADP1000 3.2 2.0 1.0
OG1 E:THR89 3.3 2.7 1.0
MG E:MG1001 3.6 2.0 1.0
O3A E:ADP1000 3.7 3.4 1.0
O2A E:ADP1000 3.7 2.3 1.0
K E:K1003 3.8 24.4 1.0
OD2 E:ASP398 3.8 9.1 1.0
OD1 E:ASP52 4.0 7.4 1.0
N E:GLY88 4.0 2.0 1.0
OG1 E:THR90 4.1 2.4 1.0
N E:GLY53 4.2 2.5 1.0
N E:THR89 4.2 2.4 1.0
N E:THR90 4.3 2.0 1.0
CG E:ASP87 4.4 3.0 1.0
O2B E:ADP1000 4.4 2.0 1.0
PA E:ADP1000 4.4 2.8 1.0
CB E:THR89 4.6 2.0 1.0
CA E:ASP87 4.7 2.5 1.0
C E:ASP87 4.7 2.0 1.0
CA E:GLY88 4.7 2.0 1.0
CA E:ASP52 4.8 2.6 1.0
CB E:THR90 4.8 2.0 1.0
C E:GLY88 4.9 2.1 1.0
CA E:THR89 4.9 2.0 1.0
CA E:GLY53 4.9 2.7 1.0
C E:ASP52 5.0 2.2 1.0
CG2 E:THR89 5.0 2.0 1.0

Aluminium binding site 6 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 6 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Al1102

b:12.1
occ:1.00
 AL F:AF31102 0.0 12.1 1.0
F3 F:AF31102 1.8 5.7 1.0
F2 F:AF31102 1.8 8.7 1.0
F1 F:AF31102 1.8 7.6 1.0
O3B F:ADP1100 2.2 2.7 1.0
PB F:ADP1100 3.1 2.0 1.0
OD1 F:ASP87 3.2 2.5 1.0
OG1 F:THR89 3.2 2.3 1.0
O1B F:ADP1100 3.2 2.0 1.0
MG F:MG1101 3.6 2.0 1.0
O2A F:ADP1100 3.8 2.1 1.0
O3A F:ADP1100 3.8 3.4 1.0
K F:K1103 3.8 24.0 1.0
OD2 F:ASP398 3.9 9.2 1.0
OD1 F:ASP52 4.0 7.4 1.0
N F:GLY88 4.0 2.0 1.0
N F:GLY53 4.2 2.5 1.0
OG1 F:THR90 4.2 2.4 1.0
N F:THR89 4.2 2.4 1.0
N F:THR90 4.3 2.0 1.0
CG F:ASP87 4.3 3.0 1.0
O2B F:ADP1100 4.4 2.0 1.0
PA F:ADP1100 4.5 2.6 1.0
CB F:THR89 4.5 2.0 1.0
CA F:ASP87 4.7 2.4 1.0
C F:ASP87 4.7 2.0 1.0
CA F:GLY88 4.8 2.0 1.0
CA F:ASP52 4.8 2.6 1.0
CB F:THR90 4.8 2.0 1.0
CA F:THR89 4.9 2.0 1.0
C F:GLY88 4.9 2.3 1.0
CG2 F:THR89 5.0 2.0 1.0
CA F:GLY53 5.0 2.5 1.0
C F:ASP52 5.0 2.2 1.0

Aluminium binding site 7 out of 7 in 1pcq

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 7 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Al1202

b:12.2
occ:1.00
 AL G:AF31202 0.0 12.2 1.0
F3 G:AF31202 1.8 5.3 1.0
F2 G:AF31202 1.8 8.8 1.0
F1 G:AF31202 1.8 7.4 1.0
O3B G:ADP1200 2.1 2.7 1.0
PB G:ADP1200 3.1 2.3 1.0
O1B G:ADP1200 3.2 2.0 1.0
OD1 G:ASP87 3.2 2.6 1.0
OG1 G:THR89 3.3 2.6 1.0
MG G:MG1201 3.6 2.0 1.0
O2A G:ADP1200 3.7 2.0 1.0
O3A G:ADP1200 3.8 3.5 1.0
K G:K1203 3.8 24.4 1.0
OD2 G:ASP398 3.9 9.1 1.0
OD1 G:ASP52 3.9 7.5 1.0
N G:GLY88 4.0 2.0 1.0
OG1 G:THR90 4.1 2.5 1.0
N G:THR89 4.2 2.4 1.0
N G:GLY53 4.2 2.7 1.0
N G:THR90 4.3 2.0 1.0
CG G:ASP87 4.4 2.9 1.0
O2B G:ADP1200 4.4 2.1 1.0
PA G:ADP1200 4.4 2.4 1.0
CB G:THR89 4.6 2.0 1.0
CA G:ASP87 4.7 2.5 1.0
C G:ASP87 4.7 2.0 1.0
CA G:GLY88 4.8 2.0 1.0
CA G:ASP52 4.8 2.6 1.0
CB G:THR90 4.8 2.0 1.0
C G:GLY88 4.9 2.3 1.0
CA G:THR89 4.9 2.0 1.0
CG2 G:THR89 4.9 2.0 1.0
CA G:GLY53 5.0 2.7 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: Wed Jul 10 09:24:53 2024

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