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Fluorine 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:

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

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Groel-Groes (pdb code 1pcq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 21 binding sites of Fluorine where determined in the Crystal Structure of Groel-Groes, PDB code: 1pcq:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 1 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:7.3
occ:1.00
 F1 A:AF3602 0.0 7.3 1.0
MG A:MG601 1.8 2.1 1.0
AL A:AF3602 1.8 12.2 1.0
O1B A:ADP600 2.0 2.0 1.0
O2A A:ADP600 2.2 2.2 1.0
OD1 A:ASP87 2.4 2.4 1.0
PB A:ADP600 2.6 2.6 1.0
O3B A:ADP600 2.6 2.9 1.0
O3A A:ADP600 3.1 3.8 1.0
F3 A:AF3602 3.1 5.5 1.0
PA A:ADP600 3.2 2.9 1.0
F2 A:AF3602 3.2 8.7 1.0
CG A:ASP87 3.5 2.8 1.0
OD2 A:ASP87 4.0 2.6 1.0
K A:K603 4.0 24.8 1.0
O2B A:ADP600 4.1 2.0 1.0
O5' A:ADP600 4.1 3.4 1.0
OD2 A:ASP398 4.1 9.2 1.0
N A:GLY88 4.1 2.0 1.0
O1A A:ADP600 4.4 2.0 1.0
CB A:ASP87 4.8 2.8 1.0
CA A:ASP87 4.9 2.4 1.0
CA A:GLY88 4.9 2.0 1.0
C A:ASP87 5.0 2.0 1.0

Fluorine binding site 2 out of 21 in 1pcq

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Fluorine binding site 2 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:8.7
occ:1.00
 F2 A:AF3602 0.0 8.7 1.0
AL A:AF3602 1.8 12.2 1.0
OG1 A:THR89 2.9 2.8 1.0
OD2 A:ASP398 3.1 9.2 1.0
F3 A:AF3602 3.1 5.5 1.0
OD1 A:ASP52 3.1 7.8 1.0
F1 A:AF3602 3.2 7.3 1.0
OD1 A:ASP87 3.3 2.4 1.0
O3B A:ADP600 3.3 2.9 1.0
CA A:ASP87 3.6 2.4 1.0
CG2 A:THR89 3.8 2.0 1.0
N A:GLY88 3.8 2.0 1.0
C A:ASP87 3.9 2.0 1.0
N A:THR89 3.9 2.4 1.0
CB A:THR89 4.0 2.0 1.0
CG A:ASP87 4.1 2.8 1.0
CG A:ASP398 4.1 6.4 1.0
O A:GLY86 4.3 3.4 1.0
O1B A:ADP600 4.3 2.0 1.0
OD1 A:ASP398 4.3 8.4 1.0
CB A:ASP87 4.4 2.8 1.0
CG A:ASP52 4.4 5.2 1.0
PB A:ADP600 4.5 2.6 1.0
N A:ASP87 4.5 2.3 1.0
N A:GLY53 4.6 2.6 1.0
CA A:THR89 4.6 2.0 1.0
MG A:MG601 4.7 2.1 1.0
C A:GLY86 4.8 3.0 1.0
CA A:GLY88 4.8 2.0 1.0
O A:ASP87 4.8 2.0 1.0
C A:GLY88 4.9 2.3 1.0
N A:THR90 4.9 2.0 1.0

Fluorine binding site 3 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 3 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:5.5
occ:1.00
 F3 A:AF3602 0.0 5.5 1.0
AL A:AF3602 1.8 12.2 1.0
O3B A:ADP600 2.2 2.9 1.0
OG1 A:THR90 2.6 2.4 1.0
K A:K603 2.9 24.8 1.0
N A:GLY53 3.0 2.6 1.0
OG1 A:THR89 3.0 2.8 1.0
F1 A:AF3602 3.1 7.3 1.0
F2 A:AF3602 3.1 8.7 1.0
N A:THR90 3.4 2.0 1.0
PB A:ADP600 3.4 2.6 1.0
CB A:THR90 3.4 2.1 1.0
CA A:GLY53 3.5 2.8 1.0
O3A A:ADP600 3.6 3.8 1.0
CA A:THR90 3.9 2.1 1.0
C A:ASP52 4.1 2.2 1.0
O1B A:ADP600 4.1 2.0 1.0
O A:LYS51 4.2 2.7 1.0
CA A:ASP52 4.3 2.5 1.0
O2A A:ADP600 4.3 2.2 1.0
CB A:THR89 4.4 2.0 1.0
C A:THR89 4.4 2.0 1.0
N A:THR89 4.4 2.4 1.0
OD1 A:ASP52 4.4 7.8 1.0
O2B A:ADP600 4.4 2.0 1.0
PA A:ADP600 4.6 2.9 1.0
CA A:THR89 4.6 2.0 1.0
C A:GLY53 4.7 2.7 1.0
CG2 A:THR90 4.8 2.0 1.0
MG A:MG601 4.8 2.1 1.0
OD1 A:ASP87 4.8 2.4 1.0
OG1 A:THR30 4.9 2.0 1.0
N A:VAL54 4.9 2.2 1.0

Fluorine binding site 4 out of 21 in 1pcq

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Fluorine binding site 4 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F702

b:7.5
occ:1.00
 F1 B:AF3702 0.0 7.5 1.0
MG B:MG701 1.8 2.0 1.0
AL B:AF3702 1.8 12.2 1.0
O1B B:ADP700 2.1 2.0 1.0
O2A B:ADP700 2.2 2.2 1.0
OD1 B:ASP87 2.4 2.4 1.0
PB B:ADP700 2.7 2.5 1.0
O3B B:ADP700 2.7 2.7 1.0
O3A B:ADP700 3.2 3.5 1.0
F3 B:AF3702 3.2 5.3 1.0
F2 B:AF3702 3.2 8.5 1.0
PA B:ADP700 3.2 2.7 1.0
CG B:ASP87 3.5 3.0 1.0
OD2 B:ASP398 3.8 9.0 1.0
K B:K703 4.0 24.4 1.0
OD2 B:ASP87 4.0 2.9 1.0
N B:GLY88 4.1 2.0 1.0
O5' B:ADP700 4.2 3.5 1.0
O2B B:ADP700 4.2 2.0 1.0
O1A B:ADP700 4.4 2.0 1.0
CB B:ASP87 4.8 2.6 1.0
CA B:ASP87 4.9 2.4 1.0
CA B:GLY88 4.9 2.0 1.0

Fluorine binding site 5 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 5 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F702

b:8.5
occ:1.00
 F2 B:AF3702 0.0 8.5 1.0
AL B:AF3702 1.8 12.2 1.0
OG1 B:THR89 2.7 2.7 1.0
F3 B:AF3702 3.1 5.3 1.0
OD1 B:ASP52 3.2 7.3 1.0
F1 B:AF3702 3.2 7.5 1.0
OD2 B:ASP398 3.2 9.0 1.0
O3B B:ADP700 3.3 2.7 1.0
OD1 B:ASP87 3.3 2.4 1.0
CA B:ASP87 3.6 2.4 1.0
N B:GLY88 3.7 2.0 1.0
CG2 B:THR89 3.7 2.0 1.0
N B:THR89 3.8 2.4 1.0
CB B:THR89 3.9 2.0 1.0
C B:ASP87 3.9 2.0 1.0
CG B:ASP87 4.1 3.0 1.0
CG B:ASP398 4.2 6.3 1.0
O1B B:ADP700 4.2 2.0 1.0
OD1 B:ASP398 4.3 8.4 1.0
O B:GLY86 4.4 3.4 1.0
PB B:ADP700 4.4 2.5 1.0
CG B:ASP52 4.4 5.1 1.0
CA B:THR89 4.4 2.0 1.0
CB B:ASP87 4.5 2.6 1.0
N B:GLY53 4.5 2.6 1.0
N B:ASP87 4.6 2.2 1.0
CA B:GLY88 4.7 2.0 1.0
MG B:MG701 4.7 2.0 1.0
C B:GLY88 4.8 2.2 1.0
O B:ASP87 4.8 2.0 1.0
N B:THR90 4.8 2.0 1.0
C B:GLY86 4.9 2.8 1.0

Fluorine binding site 6 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 6 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F702

b:5.3
occ:1.00
 F3 B:AF3702 0.0 5.3 1.0
AL B:AF3702 1.8 12.2 1.0
O3B B:ADP700 2.1 2.7 1.0
OG1 B:THR90 2.4 2.6 1.0
K B:K703 2.9 24.4 1.0
N B:GLY53 3.0 2.6 1.0
OG1 B:THR89 3.1 2.7 1.0
F2 B:AF3702 3.1 8.5 1.0
F1 B:AF3702 3.2 7.5 1.0
PB B:ADP700 3.3 2.5 1.0
N B:THR90 3.3 2.0 1.0
CB B:THR90 3.3 2.0 1.0
CA B:GLY53 3.5 2.7 1.0
O3A B:ADP700 3.6 3.5 1.0
CA B:THR90 3.9 2.0 1.0
O1B B:ADP700 4.1 2.0 1.0
C B:ASP52 4.1 2.3 1.0
O B:LYS51 4.2 2.4 1.0
CA B:ASP52 4.3 2.5 1.0
C B:THR89 4.3 2.0 1.0
CB B:THR89 4.4 2.0 1.0
N B:THR89 4.4 2.4 1.0
O2A B:ADP700 4.4 2.2 1.0
O2B B:ADP700 4.4 2.0 1.0
OD1 B:ASP52 4.5 7.3 1.0
PA B:ADP700 4.6 2.7 1.0
CG2 B:THR90 4.6 2.0 1.0
CA B:THR89 4.6 2.0 1.0
C B:GLY53 4.7 2.6 1.0
OG1 B:THR30 4.8 2.0 1.0
OD1 B:ASP87 4.9 2.4 1.0
MG B:MG701 4.9 2.0 1.0
N B:VAL54 4.9 2.1 1.0

Fluorine binding site 7 out of 21 in 1pcq

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Fluorine binding site 7 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:7.3
occ:1.00
 F1 C:AF3802 0.0 7.3 1.0
MG C:MG801 1.8 2.0 1.0
AL C:AF3802 1.8 12.4 1.0
O2A C:ADP800 2.2 2.0 1.0
O1B C:ADP800 2.2 2.1 1.0
OD1 C:ASP87 2.5 2.5 1.0
PB C:ADP800 2.8 2.1 1.0
O3B C:ADP800 2.8 2.7 1.0
O3A C:ADP800 3.2 3.7 1.0
F2 C:AF3802 3.2 8.8 1.0
F3 C:AF3802 3.2 5.2 1.0
PA C:ADP800 3.2 2.5 1.0
CG C:ASP87 3.6 3.1 1.0
OD2 C:ASP398 3.7 9.4 1.0
K C:K803 4.0 24.4 1.0
OD2 C:ASP87 4.0 2.6 1.0
O5' C:ADP800 4.2 3.4 1.0
N C:GLY88 4.3 2.0 1.0
O2B C:ADP800 4.3 2.0 1.0
O1A C:ADP800 4.4 2.0 1.0
CB C:ASP87 4.9 2.8 1.0
CG C:ASP398 4.9 6.6 1.0
CA C:ASP87 5.0 2.4 1.0

Fluorine binding site 8 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 8 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:8.8
occ:1.00
 F2 C:AF3802 0.0 8.8 1.0
AL C:AF3802 1.8 12.4 1.0
OG1 C:THR89 2.9 2.5 1.0
OD1 C:ASP52 3.1 7.6 1.0
OD2 C:ASP398 3.1 9.4 1.0
F3 C:AF3802 3.1 5.2 1.0
F1 C:AF3802 3.2 7.3 1.0
O3B C:ADP800 3.3 2.7 1.0
OD1 C:ASP87 3.3 2.5 1.0
CA C:ASP87 3.6 2.4 1.0
N C:GLY88 3.7 2.0 1.0
CG2 C:THR89 3.8 2.0 1.0
C C:ASP87 3.9 2.1 1.0
N C:THR89 3.9 2.3 1.0
CB C:THR89 4.0 2.0 1.0
CG C:ASP398 4.1 6.6 1.0
CG C:ASP87 4.1 3.1 1.0
O1B C:ADP800 4.2 2.1 1.0
OD1 C:ASP398 4.2 8.4 1.0
CG C:ASP52 4.4 5.2 1.0
O C:GLY86 4.4 3.4 1.0
PB C:ADP800 4.4 2.1 1.0
CB C:ASP87 4.4 2.8 1.0
N C:GLY53 4.5 2.5 1.0
CA C:THR89 4.6 2.0 1.0
N C:ASP87 4.6 2.2 1.0
MG C:MG801 4.7 2.0 1.0
CA C:GLY88 4.8 2.1 1.0
O C:ASP87 4.8 2.0 1.0
C C:GLY88 4.9 2.4 1.0
C C:GLY86 4.9 2.8 1.0
N C:THR90 4.9 2.0 1.0
CA C:ASP52 5.0 2.7 1.0

Fluorine binding site 9 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 9 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:5.2
occ:1.00
 F3 C:AF3802 0.0 5.2 1.0
AL C:AF3802 1.8 12.4 1.0
O3B C:ADP800 2.3 2.7 1.0
OG1 C:THR90 2.4 2.3 1.0
K C:K803 2.9 24.4 1.0
N C:GLY53 3.0 2.5 1.0
OG1 C:THR89 3.1 2.5 1.0
F2 C:AF3802 3.1 8.8 1.0
F1 C:AF3802 3.2 7.3 1.0
CB C:THR90 3.3 2.0 1.0
PB C:ADP800 3.4 2.1 1.0
N C:THR90 3.4 2.0 1.0
CA C:GLY53 3.5 2.7 1.0
O3A C:ADP800 3.6 3.7 1.0
CA C:THR90 3.9 2.0 1.0
C C:ASP52 4.1 2.2 1.0
O C:LYS51 4.1 2.6 1.0
O1B C:ADP800 4.1 2.1 1.0
CA C:ASP52 4.3 2.7 1.0
CB C:THR89 4.4 2.0 1.0
OD1 C:ASP52 4.4 7.6 1.0
O2A C:ADP800 4.4 2.0 1.0
C C:THR89 4.4 2.0 1.0
N C:THR89 4.5 2.3 1.0
O2B C:ADP800 4.5 2.0 1.0
PA C:ADP800 4.6 2.5 1.0
CG2 C:THR90 4.6 2.0 1.0
CA C:THR89 4.7 2.0 1.0
C C:GLY53 4.7 2.6 1.0
OG1 C:THR30 4.8 2.0 1.0
MG C:MG801 4.9 2.0 1.0
OD1 C:ASP87 4.9 2.5 1.0
N C:VAL54 4.9 2.2 1.0
C C:LYS51 5.0 2.8 1.0

Fluorine binding site 10 out of 21 in 1pcq

Go back to Fluorine Binding Sites List in 1pcq
Fluorine binding site 10 out of 21 in the Crystal Structure of Groel-Groes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Groel-Groes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F902

b:7.7
occ:1.00
 F1 D:AF3902 0.0 7.7 1.0
MG D:MG901 1.8 2.0 1.0
AL D:AF3902 1.8 12.3 1.0
O1B D:ADP900 2.1 2.0 1.0
O2A D:ADP900 2.2 2.0 1.0
OD1 D:ASP87 2.5 2.3 1.0
O3B D:ADP900 2.7 2.6 1.0
PB D:ADP900 2.7 2.0 1.0
O3A D:ADP900 3.2 3.4 1.0
F3 D:AF3902 3.2 5.6 1.0
PA D:ADP900 3.2 2.3 1.0
F2 D:AF3902 3.2 8.9 1.0
CG D:ASP87 3.6 3.0 1.0
K D:K903 3.9 24.5 1.0
OD2 D:ASP87 4.0 2.6 1.0
OD2 D:ASP398 4.0 9.0 1.0
O5' D:ADP900 4.2 3.7 1.0
O2B D:ADP900 4.2 2.0 1.0
N D:GLY88 4.2 2.0 1.0
O1A D:ADP900 4.4 2.0 1.0
CB D:ASP87 4.8 2.8 1.0
CA D:ASP87 4.9 2.4 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 31 12:20:03 2024

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