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Fluorine in PDB 1svt: Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7

Protein crystallography data

The structure of Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7, PDB code: 1svt was solved by C.Chaudhry, A.L.Horwich, A.T.Brunger, P.D.Adams, 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 (%) 24.7 / 27.4

Other elements in 1svt:

The structure of Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7 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 GROEL14-GROES7-(Adp-Alfx)7 (pdb code 1svt). 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 GROEL14-GROES7-(Adp-Alfx)7, PDB code: 1svt:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 21 in 1svt

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Fluorine binding site 1 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:2.8
occ:1.00
 F1 A:AF3602 0.0 2.8 1.0
MG A:MG601 1.8 2.0 1.0
AL A:AF3602 1.9 7.2 1.0
O2A A:ADP600 2.1 2.0 1.0
O1B A:ADP600 2.5 2.0 1.0
OD1 A:ASP87 2.9 2.0 1.0
F2 A:AF3602 3.0 10.1 1.0
PB A:ADP600 3.2 2.0 1.0
PA A:ADP600 3.2 2.2 1.0
F3 A:AF3602 3.4 2.0 1.0
O3B A:ADP600 3.4 3.6 1.0
O3A A:ADP600 3.5 2.6 1.0
CG A:ASP87 4.0 2.4 1.0
O1A A:ADP600 4.0 2.0 1.0
K A:K603 4.1 16.4 1.0
OD2 A:ASP398 4.3 8.1 1.0
OD2 A:ASP87 4.3 4.2 1.0
O A:SER151 4.5 2.6 1.0
O5' A:ADP600 4.6 2.0 1.0
O2B A:ADP600 4.7 2.0 1.0
C5' A:ADP600 4.8 2.4 1.0
O A:HOH615 4.9 25.2 1.0

Fluorine binding site 2 out of 21 in 1svt

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Fluorine binding site 2 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:10.1
occ:1.00
 F2 A:AF3602 0.0 10.1 1.0
AL A:AF3602 1.8 7.2 1.0
O3B A:ADP600 2.0 3.6 1.0
N A:GLY88 2.4 2.0 1.0
O1B A:ADP600 2.4 2.0 1.0
OD1 A:ASP87 2.5 2.0 1.0
PB A:ADP600 2.6 2.0 1.0
F3 A:AF3602 2.9 2.0 1.0
F1 A:AF3602 3.0 2.8 1.0
C A:ASP87 3.1 2.0 1.0
N A:THR89 3.1 2.1 1.0
CA A:GLY88 3.2 2.1 1.0
MG A:MG601 3.2 2.0 1.0
OG1 A:THR89 3.2 2.6 1.0
CA A:ASP87 3.3 2.0 1.0
O2B A:ADP600 3.3 2.0 1.0
CG A:ASP87 3.4 2.4 1.0
C A:GLY88 3.5 2.4 1.0
O A:HOH615 3.6 25.2 1.0
CB A:ASP87 3.9 2.4 1.0
O3A A:ADP600 3.9 2.6 1.0
O2A A:ADP600 4.1 2.0 1.0
N A:THR90 4.1 2.1 1.0
O A:ASP87 4.2 2.0 1.0
CA A:THR89 4.3 2.0 1.0
CB A:THR89 4.3 2.0 1.0
OD2 A:ASP87 4.4 4.2 1.0
OD2 A:ASP398 4.5 8.1 1.0
O A:GLY88 4.6 2.5 1.0
N A:ASP87 4.7 2.0 1.0
C A:THR89 4.7 2.0 1.0
PA A:ADP600 4.8 2.2 1.0
CG2 A:THR89 4.8 2.1 1.0
OG1 A:THR90 4.9 2.0 1.0

Fluorine binding site 3 out of 21 in 1svt

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Fluorine binding site 3 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:2.0
occ:1.00
 F3 A:AF3602 0.0 2.0 1.0
AL A:AF3602 1.8 7.2 1.0
OG1 A:THR89 2.7 2.6 1.0
O3B A:ADP600 2.8 3.6 1.0
N A:GLY53 2.9 2.2 1.0
F2 A:AF3602 2.9 10.1 1.0
F1 A:AF3602 3.4 2.8 1.0
OG1 A:THR90 3.4 2.0 1.0
OD1 A:ASP52 3.6 5.6 1.0
CA A:ASP52 3.6 2.3 1.0
K A:K603 3.6 16.4 1.0
C A:ASP52 3.7 2.0 1.0
O A:HOH615 3.7 25.2 1.0
CA A:GLY53 3.8 2.9 1.0
N A:THR90 4.0 2.1 1.0
PB A:ADP600 4.0 2.0 1.0
CB A:THR89 4.1 2.0 1.0
O A:LYS51 4.2 3.0 1.0
CG A:ASP52 4.3 4.3 1.0
CB A:ASP52 4.4 2.9 1.0
CB A:THR90 4.4 2.3 1.0
O1B A:ADP600 4.4 2.0 1.0
O3A A:ADP600 4.4 2.6 1.0
N A:THR89 4.5 2.1 1.0
OD2 A:ASP398 4.5 8.1 1.0
OD1 A:ASP87 4.6 2.0 1.0
N A:VAL54 4.6 2.6 1.0
N A:ASP52 4.7 3.3 1.0
MG A:MG601 4.7 2.0 1.0
CA A:THR89 4.7 2.0 1.0
C A:GLY53 4.8 3.0 1.0
CA A:THR90 4.8 2.0 1.0
O A:ASP52 4.8 2.0 1.0
C A:THR89 4.8 2.0 1.0
C A:LYS51 4.9 3.3 1.0
O2A A:ADP600 4.9 2.0 1.0
CG2 A:THR89 4.9 2.1 1.0

Fluorine binding site 4 out of 21 in 1svt

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Fluorine binding site 4 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F602

b:2.1
occ:1.00
 F1 B:AF3602 0.0 2.1 1.0
MG B:MG601 1.8 2.0 1.0
AL B:AF3602 1.9 8.0 1.0
O2A B:ADP600 2.0 2.6 1.0
O1B B:ADP600 2.3 2.0 1.0
PB B:ADP600 2.9 2.2 1.0
OD1 B:ASP87 3.0 2.0 1.0
PA B:ADP600 3.1 3.2 1.0
F2 B:AF3602 3.2 10.1 1.0
O3B B:ADP600 3.2 3.2 1.0
O3A B:ADP600 3.2 2.5 1.0
F3 B:AF3602 3.4 2.0 1.0
O1A B:ADP600 3.8 2.0 1.0
K B:K603 3.9 16.3 1.0
CG B:ASP87 4.1 2.4 1.0
OD2 B:ASP398 4.2 8.1 1.0
O2B B:ADP600 4.4 2.6 1.0
O5' B:ADP600 4.4 2.1 1.0
OD2 B:ASP87 4.5 4.1 1.0
C5' B:ADP600 4.7 2.5 1.0
O B:SER151 4.8 2.4 1.0
N B:GLY88 5.0 2.0 1.0

Fluorine binding site 5 out of 21 in 1svt

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Fluorine binding site 5 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F602

b:10.1
occ:1.00
 F2 B:AF3602 0.0 10.1 1.0
AL B:AF3602 1.8 8.0 1.0
O3B B:ADP600 2.1 3.2 1.0
OG1 B:THR89 2.6 2.3 1.0
N B:GLY88 2.7 2.0 1.0
F3 B:AF3602 2.8 2.0 1.0
OD1 B:ASP87 2.9 2.0 1.0
PB B:ADP600 2.9 2.2 1.0
N B:THR89 2.9 2.0 1.0
O1B B:ADP600 3.0 2.0 1.0
F1 B:AF3602 3.2 2.1 1.0
C B:ASP87 3.2 2.0 1.0
CA B:ASP87 3.4 2.0 1.0
CA B:GLY88 3.5 2.0 1.0
C B:GLY88 3.6 2.0 1.0
O2B B:ADP600 3.6 2.6 1.0
CG B:ASP87 3.8 2.4 1.0
CB B:THR89 3.8 2.0 1.0
MG B:MG601 3.9 2.0 1.0
CA B:THR89 3.9 2.0 1.0
N B:THR90 3.9 2.0 1.0
OD2 B:ASP398 4.1 8.1 1.0
O B:ASP87 4.1 2.0 1.0
CB B:ASP87 4.1 2.0 1.0
CG2 B:THR89 4.3 2.0 1.0
O3A B:ADP600 4.3 2.5 1.0
C B:THR89 4.5 2.0 1.0
OG1 B:THR90 4.5 2.5 1.0
N B:ASP87 4.7 2.1 1.0
O2A B:ADP600 4.7 2.6 1.0
OD1 B:ASP52 4.7 5.5 1.0
O B:GLY88 4.7 2.3 1.0
OD2 B:ASP87 4.9 4.1 1.0
CB B:THR90 5.0 2.0 1.0

Fluorine binding site 6 out of 21 in 1svt

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Fluorine binding site 6 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F602

b:2.0
occ:1.00
 F3 B:AF3602 0.0 2.0 1.0
AL B:AF3602 1.8 8.0 1.0
O3B B:ADP600 2.5 3.2 1.0
OG1 B:THR90 2.7 2.5 1.0
F2 B:AF3602 2.8 10.1 1.0
N B:GLY53 2.8 2.0 1.0
OG1 B:THR89 3.0 2.3 1.0
K B:K603 3.2 16.3 1.0
F1 B:AF3602 3.4 2.1 1.0
CA B:GLY53 3.5 2.3 1.0
N B:THR90 3.7 2.0 1.0
C B:ASP52 3.7 2.0 1.0
PB B:ADP600 3.7 2.2 1.0
CA B:ASP52 3.8 2.2 1.0
CB B:THR90 3.8 2.0 1.0
OD1 B:ASP52 4.0 5.5 1.0
O B:LYS51 4.0 2.8 1.0
O3A B:ADP600 4.1 2.5 1.0
CB B:THR89 4.2 2.0 1.0
CA B:THR90 4.3 2.0 1.0
O1B B:ADP600 4.3 2.0 1.0
N B:THR89 4.5 2.0 1.0
C B:THR89 4.6 2.0 1.0
C B:GLY53 4.6 2.5 1.0
CG B:ASP52 4.7 4.1 1.0
N B:VAL54 4.7 2.4 1.0
CA B:THR89 4.7 2.0 1.0
N B:ASP52 4.7 3.0 1.0
C B:LYS51 4.8 3.0 1.0
CB B:ASP52 4.8 2.7 1.0
O B:ASP52 4.8 2.0 1.0
O2B B:ADP600 4.8 2.6 1.0
OD2 B:ASP398 4.9 8.1 1.0
OD1 B:ASP87 4.9 2.0 1.0
O2A B:ADP600 4.9 2.6 1.0
MG B:MG601 4.9 2.0 1.0
PA B:ADP600 4.9 3.2 1.0

Fluorine binding site 7 out of 21 in 1svt

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Fluorine binding site 7 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:2.0
occ:1.00
 F1 C:AF3602 0.0 2.0 1.0
MG C:MG601 1.6 2.0 1.0
AL C:AF3602 1.9 8.2 1.0
O2A C:ADP600 2.1 2.4 1.0
O1B C:ADP600 2.5 2.0 1.0
OD1 C:ASP87 2.9 2.9 1.0
F2 C:AF3602 3.1 10.6 1.0
PB C:ADP600 3.2 2.5 1.0
PA C:ADP600 3.3 2.0 1.0
F3 C:AF3602 3.4 2.0 1.0
O3B C:ADP600 3.5 3.2 1.0
O3A C:ADP600 3.5 2.6 1.0
OD2 C:ASP398 4.0 8.5 1.0
O1A C:ADP600 4.1 2.0 1.0
CG C:ASP87 4.1 3.1 1.0
K C:K603 4.2 15.8 1.0
OD2 C:ASP87 4.5 4.5 1.0
O5' C:ADP600 4.5 2.1 1.0
O C:SER151 4.6 2.4 1.0
O2B C:ADP600 4.7 2.3 1.0
C5' C:ADP600 4.8 2.4 1.0

Fluorine binding site 8 out of 21 in 1svt

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Fluorine binding site 8 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:10.6
occ:1.00
 F2 C:AF3602 0.0 10.6 1.0
AL C:AF3602 1.8 8.2 1.0
O3B C:ADP600 1.9 3.2 1.0
N C:GLY88 2.5 2.0 1.0
O1B C:ADP600 2.5 2.0 1.0
PB C:ADP600 2.6 2.5 1.0
OD1 C:ASP87 2.6 2.9 1.0
F3 C:AF3602 2.9 2.0 1.0
OG1 C:THR89 3.0 2.4 1.0
N C:THR89 3.0 2.0 1.0
F1 C:AF3602 3.1 2.0 1.0
C C:ASP87 3.2 2.0 1.0
CA C:GLY88 3.3 2.0 1.0
CA C:ASP87 3.4 2.0 1.0
MG C:MG601 3.5 2.0 1.0
O2B C:ADP600 3.5 2.3 1.0
C C:GLY88 3.6 2.4 1.0
CG C:ASP87 3.6 3.1 1.0
O3A C:ADP600 4.0 2.6 1.0
N C:THR90 4.0 2.0 1.0
CA C:THR89 4.1 2.0 1.0
CB C:ASP87 4.1 2.4 1.0
CB C:THR89 4.1 2.0 1.0
OD2 C:ASP398 4.2 8.5 1.0
O C:ASP87 4.2 2.0 1.0
O2A C:ADP600 4.3 2.4 1.0
OG1 C:THR90 4.6 2.1 1.0
C C:THR89 4.6 2.0 1.0
CG2 C:THR89 4.6 2.0 1.0
N C:ASP87 4.7 2.0 1.0
O C:GLY88 4.7 2.9 1.0
OD2 C:ASP87 4.8 4.5 1.0
PA C:ADP600 4.9 2.0 1.0

Fluorine binding site 9 out of 21 in 1svt

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Fluorine binding site 9 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:2.0
occ:1.00
 F3 C:AF3602 0.0 2.0 1.0
AL C:AF3602 1.8 8.2 1.0
O3B C:ADP600 2.7 3.2 1.0
N C:GLY53 2.8 2.1 1.0
OG1 C:THR90 2.9 2.1 1.0
F2 C:AF3602 2.9 10.6 1.0
OG1 C:THR89 3.1 2.4 1.0
K C:K603 3.4 15.8 1.0
F1 C:AF3602 3.4 2.0 1.0
CA C:GLY53 3.6 2.5 1.0
C C:ASP52 3.7 2.0 1.0
CA C:ASP52 3.7 2.4 1.0
OD1 C:ASP52 3.8 6.1 1.0
PB C:ADP600 3.8 2.5 1.0
N C:THR90 3.9 2.0 1.0
O C:LYS51 3.9 2.9 1.0
CB C:THR90 4.0 2.0 1.0
O3A C:ADP600 4.3 2.6 1.0
CB C:THR89 4.3 2.0 1.0
O1B C:ADP600 4.4 2.0 1.0
CA C:THR90 4.5 2.0 1.0
CG C:ASP52 4.6 4.3 1.0
N C:THR89 4.6 2.0 1.0
OD2 C:ASP398 4.6 8.5 1.0
N C:ASP52 4.6 2.8 1.0
C C:LYS51 4.7 2.7 1.0
CB C:ASP52 4.7 3.0 1.0
C C:GLY53 4.7 2.8 1.0
MG C:MG601 4.8 2.0 1.0
C C:THR89 4.8 2.0 1.0
O2A C:ADP600 4.8 2.4 1.0
O C:ASP52 4.8 2.0 1.0
N C:VAL54 4.8 2.8 1.0
CA C:THR89 4.8 2.0 1.0
OD1 C:ASP87 4.9 2.9 1.0
PA C:ADP600 4.9 2.0 1.0
O2B C:ADP600 5.0 2.3 1.0

Fluorine binding site 10 out of 21 in 1svt

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Fluorine binding site 10 out of 21 in the Crystal Structure of GROEL14-GROES7-(Adp-Alfx)7


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 GROEL14-GROES7-(Adp-Alfx)7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F602

b:2.0
occ:1.00
 F1 D:AF3602 0.0 2.0 1.0
MG D:MG601 1.7 2.0 1.0
AL D:AF3602 1.9 8.1 1.0
O2A D:ADP600 2.0 2.0 1.0
O1B D:ADP600 2.6 2.0 1.0
PA D:ADP600 3.0 2.3 1.0
F2 D:AF3602 3.0 10.1 1.0
OD1 D:ASP87 3.1 2.2 1.0
PB D:ADP600 3.1 2.5 1.0
O D:HOH611 3.1 51.0 1.0
O3B D:ADP600 3.4 3.4 1.0
O3A D:ADP600 3.4 2.1 1.0
F3 D:AF3602 3.4 2.0 1.0
O1A D:ADP600 3.7 2.0 1.0
K D:K603 3.9 16.7 1.0
CG D:ASP87 4.2 2.5 1.0
O5' D:ADP600 4.4 2.0 1.0
OD2 D:ASP398 4.5 8.1 1.0
OD2 D:ASP87 4.6 3.5 1.0
C5' D:ADP600 4.6 2.4 1.0
O2B D:ADP600 4.6 2.3 1.0
O D:SER151 4.8 2.6 1.0
NZ D:LYS51 4.9 2.0 1.0

Reference:

C.Chaudhry, A.L.Horwich, A.T.Brunger, P.D.Adams. Exploring the Structural Dynamics of the E.Coli Chaperonin Groel Using Translation-Libration-Screw Crystallographic Refinement of Intermediate States. J.Mol.Biol. V. 342 229 2004.
ISSN: ISSN 0022-2836
PubMed: 15313620
DOI: 10.1016/J.JMB.2004.07.015
Page generated: Wed Jul 31 12:53:43 2024

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