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Fluorine in PDB 3sr0: Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site

Enzymatic activity of Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site

All present enzymatic activity of Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site:
2.7.4.3;

Protein crystallography data

The structure of Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site, PDB code: 3sr0 was solved by Y.-J.Cho, D.Kern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.79 / 1.56
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.950, 69.580, 85.670, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 18.9

Other elements in 3sr0:

The structure of Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site (pdb code 3sr0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site, PDB code: 3sr0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3sr0

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Fluorine binding site 1 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F210

b:20.0
occ:0.80
F1 A:ALF210 0.0 20.0 0.8
AL A:ALF210 1.8 19.5 0.8
MG A:MG209 2.1 18.0 0.6
HH12 A:ARG150 2.3 19.9 1.0
HH12 A:ARG124 2.3 14.7 1.0
F4 A:ALF210 2.5 20.7 0.8
F3 A:ALF210 2.6 20.9 0.8
O3P A:AMP208 2.6 17.7 1.0
O1B A:ADP207 2.9 9.9 1.0
O A:HOH332 2.9 23.8 1.0
NH1 A:ARG124 3.0 12.3 1.0
O A:HOH314 3.0 16.9 1.0
NH1 A:ARG150 3.0 16.6 1.0
HH22 A:ARG150 3.3 19.3 1.0
HH22 A:ARG124 3.3 14.2 1.0
O2P A:AMP208 3.4 15.4 1.0
HH11 A:ARG124 3.4 14.7 1.0
O3B A:ADP207 3.5 9.7 1.0
HH11 A:ARG150 3.5 19.9 1.0
P A:AMP208 3.5 14.3 1.0
F2 A:ALF210 3.5 19.0 0.8
PB A:ADP207 3.7 9.1 1.0
CZ A:ARG124 3.8 10.9 1.0
NH2 A:ARG124 3.8 11.9 1.0
NH2 A:ARG150 3.9 16.1 1.0
CZ A:ARG150 3.9 16.2 1.0
HH22 A:ARG36 4.1 22.9 1.0
O1A A:ADP207 4.1 10.2 1.0
O A:HOH232 4.1 15.5 0.7
O A:HOH294 4.1 20.5 1.0
O1P A:AMP208 4.2 14.8 1.0
HH22 A:ARG161 4.2 27.7 1.0
O A:HOH232 4.3 8.3 0.3
HH12 A:ARG36 4.4 22.1 1.0
O A:HOH377 4.5 25.6 0.9
HH21 A:ARG124 4.6 14.2 1.0
HH12 A:ARG161 4.6 26.9 1.0
O3A A:ADP207 4.6 9.1 1.0
H A:GLY10 4.7 14.0 1.0
HH21 A:ARG150 4.7 19.3 1.0
HH22 A:ARG85 4.7 16.5 0.6
O A:HOH238 4.7 22.4 1.0
NH2 A:ARG36 4.8 19.1 1.0
O5' A:AMP208 4.9 13.0 1.0
NE A:ARG124 4.9 9.3 1.0
PA A:ADP207 5.0 8.3 1.0
O2B A:ADP207 5.0 9.0 1.0

Fluorine binding site 2 out of 8 in 3sr0

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Fluorine binding site 2 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F210

b:19.0
occ:0.80
F2 A:ALF210 0.0 19.0 0.8
AL A:ALF210 1.8 19.5 0.8
O A:HOH712 1.8 16.0 0.9
HA A:PRO9 2.3 15.1 1.0
HH22 A:ARG85 2.4 16.5 0.6
HZ1 A:LYS13 2.4 16.0 1.0
F3 A:ALF210 2.4 20.9 0.8
F4 A:ALF210 2.6 20.7 0.8
O1B A:ADP207 2.7 9.9 1.0
HH21 A:ARG85 2.8 16.5 0.6
O3P A:AMP208 2.8 17.7 1.0
NH2 A:ARG85 2.9 13.8 0.6
HH12 A:ARG161 2.9 26.9 1.0
H A:GLY10 3.0 14.0 1.0
NZ A:LYS13 3.2 13.4 1.0
CA A:PRO9 3.3 12.6 1.0
O A:HOH238 3.3 22.4 1.0
HZ3 A:LYS13 3.3 16.0 1.0
HB3 A:PRO9 3.5 16.6 1.0
HH22 A:ARG161 3.5 27.7 1.0
F1 A:ALF210 3.5 20.0 0.8
HZ2 A:LYS13 3.7 16.0 1.0
NH1 A:ARG161 3.7 22.4 1.0
PB A:ADP207 3.7 9.1 1.0
N A:GLY10 3.7 11.7 1.0
CB A:PRO9 3.9 13.9 1.0
O2B A:ADP207 3.9 9.0 1.0
C A:PRO9 4.0 11.2 1.0
P A:AMP208 4.1 14.3 1.0
O1P A:AMP208 4.1 14.8 1.0
HE2 A:LYS13 4.1 16.7 1.0
HH22 A:ARG85 4.1 11.9 0.5
CZ A:ARG85 4.2 13.4 0.6
NH2 A:ARG161 4.2 23.1 1.0
N A:PRO9 4.2 11.9 1.0
CE A:LYS13 4.2 13.9 1.0
HB2 A:PRO9 4.2 16.6 1.0
HH11 A:ARG161 4.2 26.9 1.0
HH12 A:ARG124 4.2 14.7 1.0
O3B A:ADP207 4.3 9.7 1.0
O A:HOH591 4.3 29.7 1.0
MG A:MG209 4.4 18.0 0.6
CZ A:ARG161 4.4 23.0 1.0
HE3 A:LYS13 4.4 16.7 1.0
O A:HOH232 4.4 15.5 0.7
O A:HOH290 4.4 13.8 1.0
NH2 A:ARG85 4.4 9.9 0.5
O A:PRO8 4.5 11.3 1.0
HH12 A:ARG85 4.5 16.7 0.6
HH22 A:ARG124 4.6 14.2 1.0
HH21 A:ARG85 4.7 11.9 0.5
C A:PRO8 4.7 11.0 1.0
NH1 A:ARG85 4.8 13.9 0.6
HH12 A:ARG85 4.8 13.3 0.5
H A:ALA11 4.9 13.1 1.0
O5' A:AMP208 4.9 13.0 1.0
HH21 A:ARG161 4.9 27.7 1.0
HH22 A:ARG150 4.9 19.3 1.0
HD21 A:LEU121 5.0 18.4 1.0
HE A:ARG85 5.0 15.2 0.6
CA A:GLY10 5.0 11.3 1.0

Fluorine binding site 3 out of 8 in 3sr0

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Fluorine binding site 3 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F210

b:20.9
occ:0.80
F3 A:ALF210 0.0 20.9 0.8
AL A:ALF210 1.8 19.5 0.8
O A:HOH232 2.2 15.5 0.7
MG A:MG209 2.3 18.0 0.6
O A:HOH238 2.3 22.4 1.0
F2 A:ALF210 2.4 19.0 0.8
F1 A:ALF210 2.6 20.0 0.8
O3P A:AMP208 2.8 17.7 1.0
HH22 A:ARG85 2.8 16.5 0.6
O3B A:ADP207 2.9 9.7 1.0
O1B A:ADP207 2.9 9.9 1.0
O1P A:AMP208 3.0 14.8 1.0
O A:HOH712 3.2 16.0 0.9
PB A:ADP207 3.3 9.1 1.0
HZ1 A:LYS13 3.4 16.0 1.0
O A:HOH332 3.4 23.8 1.0
P A:AMP208 3.4 14.3 1.0
O A:HOH232 3.5 8.3 0.3
F4 A:ALF210 3.6 20.7 0.8
NH2 A:ARG85 3.6 13.8 0.6
HZ3 A:LYS13 3.7 16.0 1.0
HE2 A:LYS13 3.7 16.7 1.0
O A:HOH377 3.9 25.6 0.9
O2B A:ADP207 3.9 9.0 1.0
NZ A:LYS13 3.9 13.4 1.0
HH21 A:ARG85 4.0 16.5 0.6
O2P A:AMP208 4.0 15.4 1.0
HB2 A:LYS13 4.1 11.3 1.0
HH12 A:ARG85 4.1 16.7 0.6
HH12 A:ARG124 4.2 14.7 1.0
O A:HOH259 4.3 16.6 1.0
CE A:LYS13 4.3 13.9 1.0
H A:GLY14 4.4 10.0 1.0
HH12 A:ARG161 4.5 26.9 1.0
O A:HOH314 4.5 16.9 1.0
H A:GLY10 4.5 14.0 1.0
OD1 A:ASP81 4.6 12.4 1.0
HH12 A:ARG150 4.6 19.9 1.0
HH12 A:ARG85 4.6 13.3 0.5
HA A:PRO9 4.7 15.1 1.0
CZ A:ARG85 4.7 13.4 0.6
HZ2 A:LYS13 4.7 16.0 1.0
HA3 A:GLY82 4.7 11.4 1.0
NH1 A:ARG85 4.7 13.9 0.6
HE3 A:LYS13 4.8 16.7 1.0
O5' A:AMP208 4.8 13.0 1.0
O3A A:ADP207 4.8 9.1 1.0
HH22 A:ARG85 4.9 11.9 0.5

Fluorine binding site 4 out of 8 in 3sr0

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Fluorine binding site 4 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F210

b:20.7
occ:0.80
F4 A:ALF210 0.0 20.7 0.8
AL A:ALF210 1.8 19.5 0.8
HH22 A:ARG161 1.8 27.7 1.0
HH22 A:ARG124 2.0 14.2 1.0
O3P A:AMP208 2.5 17.7 1.0
F1 A:ALF210 2.5 20.0 0.8
HH12 A:ARG124 2.5 14.7 1.0
F2 A:ALF210 2.6 19.0 0.8
NH2 A:ARG161 2.7 23.1 1.0
O1B A:ADP207 2.9 9.9 1.0
NH2 A:ARG124 2.9 11.9 1.0
HH12 A:ARG161 2.9 26.9 1.0
HH22 A:ARG150 3.0 19.3 1.0
HH21 A:ARG161 3.2 27.7 1.0
NH1 A:ARG124 3.2 12.3 1.0
H A:GLY10 3.4 14.0 1.0
HH12 A:ARG150 3.5 19.9 1.0
CZ A:ARG124 3.5 10.9 1.0
HH21 A:ARG124 3.5 14.2 1.0
NH2 A:ARG150 3.5 16.1 1.0
NH1 A:ARG161 3.5 22.4 1.0
CZ A:ARG161 3.5 23.0 1.0
F3 A:ALF210 3.6 20.9 0.8
HD21 A:LEU121 3.7 18.4 1.0
HA A:PRO9 3.7 15.1 1.0
HB3 A:PRO9 3.8 16.6 1.0
HB2 A:PRO9 3.9 16.6 1.0
NH1 A:ARG150 4.0 16.6 1.0
P A:AMP208 4.0 14.3 1.0
HH21 A:ARG150 4.0 19.3 1.0
HD22 A:LEU121 4.0 18.4 1.0
HH11 A:ARG124 4.0 14.7 1.0
N A:GLY10 4.0 11.7 1.0
CZ A:ARG150 4.1 16.2 1.0
CB A:PRO9 4.2 13.9 1.0
CD2 A:LEU121 4.2 15.3 1.0
CA A:PRO9 4.3 12.6 1.0
O A:HOH712 4.3 16.0 0.9
PB A:ADP207 4.4 9.1 1.0
HH11 A:ARG161 4.4 26.9 1.0
MG A:MG209 4.4 18.0 0.6
HH22 A:ARG85 4.4 16.5 0.6
O2P A:AMP208 4.4 15.4 1.0
H5'2 A:AMP208 4.5 13.4 1.0
HD23 A:LEU121 4.5 18.4 1.0
C A:PRO9 4.6 11.2 1.0
HA2 A:GLY10 4.6 13.5 1.0
HH11 A:ARG150 4.6 19.9 1.0
O5' A:AMP208 4.7 13.0 1.0
NE A:ARG124 4.8 9.3 1.0
NE A:ARG161 4.8 22.5 1.0
O1P A:AMP208 4.8 14.8 1.0
O A:HOH350 4.9 19.7 1.0
HZ1 A:LYS13 4.9 16.0 1.0
O3B A:ADP207 4.9 9.7 1.0
CA A:GLY10 4.9 11.3 1.0
NH2 A:ARG85 5.0 13.8 0.6

Fluorine binding site 5 out of 8 in 3sr0

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Fluorine binding site 5 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F210

b:22.0
occ:0.77
F1 B:ALF210 0.0 22.0 0.8
O B:HOH389 1.7 17.6 0.8
AL B:ALF210 1.8 19.5 0.8
F3 B:ALF210 2.5 19.8 0.8
HA B:PRO9 2.5 12.0 1.0
F4 B:ALF210 2.5 19.0 0.8
HZ1 B:LYS13 2.7 15.9 1.0
O2P B:AMP208 2.7 17.3 1.0
HH22 B:ARG161 2.8 14.1 0.5
O2B B:ADP207 2.9 9.2 1.0
O B:HOH310 2.9 17.5 1.0
HB3 B:PRO9 3.3 14.5 1.0
H B:GLY10 3.4 11.4 1.0
CA B:PRO9 3.4 10.1 1.0
NZ B:LYS13 3.5 13.2 1.0
F2 B:ALF210 3.6 17.6 0.8
NH2 B:ARG161 3.6 11.8 0.5
HZ3 B:LYS13 3.6 15.9 1.0
HH12 B:ARG161 3.6 14.5 0.5
HH12 B:ARG85 3.7 22.5 1.0
P B:AMP208 3.8 12.1 1.0
CB B:PRO9 3.8 12.1 1.0
O3P B:AMP208 3.9 13.1 1.0
PB B:ADP207 3.9 9.2 1.0
HH11 B:ARG161 3.9 17.8 0.5
HE2 B:LYS13 4.0 14.0 1.0
O B:HOH635 4.0 14.2 0.8
HZ2 B:LYS13 4.0 15.9 1.0
HH21 B:ARG161 4.1 14.1 0.5
NH1 B:ARG85 4.1 18.8 1.0
N B:GLY10 4.1 9.6 1.0
O1B B:ADP207 4.2 8.8 1.0
HB2 B:PRO9 4.2 14.5 1.0
HH12 B:ARG124 4.2 13.7 1.0
NH1 B:ARG161 4.3 12.1 0.5
CE B:LYS13 4.3 11.7 1.0
HH11 B:ARG85 4.3 22.5 1.0
C B:PRO9 4.3 10.4 1.0
CZ B:ARG161 4.4 12.5 0.5
N B:PRO9 4.4 9.8 1.0
O3B B:ADP207 4.4 9.3 1.0
HE3 B:LYS13 4.4 14.0 1.0
HH22 B:ARG150 4.5 13.1 1.0
O B:HOH272 4.5 13.5 1.0
HH22 B:ARG124 4.5 11.5 1.0
MG B:MG209 4.6 29.6 0.9
HH22 B:ARG85 4.6 18.7 1.0
NH1 B:ARG161 4.7 14.9 0.5
O B:PRO8 4.7 8.8 1.0
CZ B:ARG85 4.8 16.5 1.0
HH12 B:ARG161 4.8 17.8 0.5
O1P B:AMP208 4.8 11.4 1.0
O5' B:AMP208 4.9 12.5 1.0
C B:PRO8 4.9 8.3 1.0
NH2 B:ARG85 4.9 15.6 1.0

Fluorine binding site 6 out of 8 in 3sr0

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Fluorine binding site 6 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F210

b:17.6
occ:0.77
F2 B:ALF210 0.0 17.6 0.8
AL B:ALF210 1.8 19.5 0.8
HH12 B:ARG150 1.9 14.4 1.0
MG B:MG209 2.1 29.6 0.9
HH12 B:ARG124 2.3 13.7 1.0
F3 B:ALF210 2.5 19.8 0.8
F4 B:ALF210 2.6 19.0 0.8
NH1 B:ARG150 2.7 12.1 1.0
NH1 B:ARG124 2.8 11.5 1.0
O2B B:ADP207 3.0 9.2 1.0
O B:HOH348 3.0 22.1 1.0
O B:HOH216 3.1 21.6 1.0
HH11 B:ARG150 3.1 14.4 1.0
HH22 B:ARG150 3.1 13.1 1.0
O2P B:AMP208 3.2 17.3 1.0
HH11 B:ARG124 3.2 13.7 1.0
HH22 B:ARG124 3.4 11.5 1.0
O1P B:AMP208 3.4 11.4 1.0
O3B B:ADP207 3.4 9.3 1.0
CZ B:ARG150 3.6 11.3 1.0
F1 B:ALF210 3.6 22.0 0.8
CZ B:ARG124 3.6 10.7 1.0
NH2 B:ARG150 3.7 10.9 1.0
P B:AMP208 3.7 12.1 1.0
NH2 B:ARG124 3.8 9.6 1.0
PB B:ADP207 3.8 9.2 1.0
O B:HOH635 3.9 14.2 0.8
O B:HOH264 3.9 15.5 1.0
HH22 B:ARG36 4.0 13.7 1.0
O1A B:ADP207 4.1 8.4 1.0
HH12 B:ARG161 4.3 14.5 0.5
O B:HOH369 4.3 16.1 0.3
HH12 B:ARG36 4.4 12.8 1.0
O3P B:AMP208 4.4 13.1 1.0
HH21 B:ARG150 4.5 13.1 1.0
HH21 B:ARG124 4.5 11.5 1.0
O3A B:ADP207 4.6 8.4 1.0
HH11 B:ARG161 4.6 17.8 0.5
HH22 B:ARG161 4.6 14.1 0.5
NH2 B:ARG36 4.7 11.4 1.0
NE B:ARG124 4.7 9.9 1.0
HH12 B:ARG161 4.7 17.8 0.5
H B:GLY10 4.8 11.4 1.0
O B:HOH310 4.8 17.5 1.0
NE B:ARG150 4.8 12.6 1.0
HD2 B:ARG124 4.9 12.0 1.0
O B:HOH369 4.9 14.4 0.7
PA B:ADP207 5.0 8.2 1.0
NH1 B:ARG36 5.0 10.7 1.0

Fluorine binding site 7 out of 8 in 3sr0

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Fluorine binding site 7 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F210

b:19.8
occ:0.77
F3 B:ALF210 0.0 19.8 0.8
AL B:ALF210 1.8 19.5 0.8
O B:HOH635 1.8 14.2 0.8
MG B:MG209 2.4 29.6 0.9
O B:HOH310 2.4 17.5 1.0
F1 B:ALF210 2.5 22.0 0.8
F2 B:ALF210 2.5 17.6 0.8
O3B B:ADP207 2.9 9.3 1.0
O2B B:ADP207 3.0 9.2 1.0
O2P B:AMP208 3.1 17.3 1.0
O3P B:AMP208 3.2 13.1 1.0
O B:HOH348 3.3 22.1 1.0
O B:HOH369 3.4 16.1 0.3
PB B:ADP207 3.4 9.2 1.0
P B:AMP208 3.4 12.1 1.0
O B:HOH389 3.5 17.6 0.8
F4 B:ALF210 3.5 19.0 0.8
HZ1 B:LYS13 3.8 15.9 1.0
HE2 B:LYS13 3.8 14.0 1.0
O1P B:AMP208 3.8 11.4 1.0
O B:HOH219 4.1 11.1 1.0
HZ3 B:LYS13 4.1 15.9 1.0
O1B B:ADP207 4.1 8.8 1.0
HH12 B:ARG124 4.1 13.7 1.0
HB2 B:LYS13 4.1 10.6 1.0
HH12 B:ARG150 4.2 14.4 1.0
NZ B:LYS13 4.2 13.2 1.0
O B:HOH369 4.3 14.4 0.7
H B:GLY14 4.4 9.4 1.0
HH22 B:ARG161 4.5 14.1 0.5
OD1 B:ASP81 4.5 11.4 1.0
O B:HOH216 4.5 21.6 1.0
CE B:LYS13 4.5 11.7 1.0
HH22 B:ARG150 4.6 13.1 1.0
HA B:PRO9 4.7 12.0 1.0
H B:GLY10 4.7 11.4 1.0
HH22 B:ARG85 4.8 18.7 1.0
O3A B:ADP207 4.8 8.4 1.0
NH1 B:ARG124 4.9 11.5 1.0
O5' B:AMP208 4.9 12.5 1.0
HE3 B:LYS13 4.9 14.0 1.0
HH12 B:ARG85 4.9 22.5 1.0
HA3 B:GLY14 5.0 9.7 1.0
N B:GLY14 5.0 7.9 1.0

Fluorine binding site 8 out of 8 in 3sr0

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Fluorine binding site 8 out of 8 in the Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site


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 the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F210

b:19.0
occ:0.77
F4 B:ALF210 0.0 19.0 0.8
AL B:ALF210 1.8 19.5 0.8
HH12 B:ARG161 2.0 14.5 0.5
HH22 B:ARG124 2.0 11.5 1.0
HH11 B:ARG161 2.3 17.8 0.5
HH12 B:ARG124 2.5 13.7 1.0
F1 B:ALF210 2.5 22.0 0.8
F2 B:ALF210 2.6 17.6 0.8
HH12 B:ARG161 2.6 17.8 0.5
O2P B:AMP208 2.7 17.3 1.0
NH1 B:ARG161 2.7 14.9 0.5
O2B B:ADP207 2.8 9.2 1.0
NH1 B:ARG161 2.8 12.1 0.5
NH2 B:ARG124 2.8 9.6 1.0
HH22 B:ARG150 2.9 13.1 1.0
HH22 B:ARG161 2.9 14.1 0.5
NH1 B:ARG124 3.2 11.5 1.0
HH11 B:ARG161 3.3 14.5 0.5
H B:GLY10 3.4 11.4 1.0
HH12 B:ARG150 3.4 14.4 1.0
NH2 B:ARG150 3.4 10.9 1.0
CZ B:ARG124 3.4 10.7 1.0
HH21 B:ARG124 3.5 11.5 1.0
F3 B:ALF210 3.5 19.8 0.8
NH2 B:ARG161 3.6 11.8 0.5
HD21 B:LEU121 3.6 13.4 1.0
HB3 B:PRO9 3.6 14.5 1.0
CZ B:ARG161 3.6 12.5 0.5
HA B:PRO9 3.6 12.0 1.0
HB2 B:PRO9 3.8 14.5 1.0
NH1 B:ARG150 3.9 12.1 1.0
HH21 B:ARG150 3.9 13.1 1.0
CZ B:ARG150 4.0 11.3 1.0
HH11 B:ARG124 4.0 13.7 1.0
HD22 B:LEU121 4.0 13.4 1.0
CB B:PRO9 4.0 12.1 1.0
N B:GLY10 4.0 9.6 1.0
CZ B:ARG161 4.1 13.8 0.5
P B:AMP208 4.1 12.1 1.0
CD2 B:LEU121 4.1 11.2 1.0
O B:HOH389 4.1 17.6 0.8
CA B:PRO9 4.2 10.1 1.0
HD23 B:LEU121 4.2 13.4 1.0
PB B:ADP207 4.3 9.2 1.0
HH21 B:ARG161 4.4 14.1 0.5
HE B:ARG161 4.4 16.2 0.5
MG B:MG209 4.4 29.6 0.9
O1P B:AMP208 4.5 11.4 1.0
C B:PRO9 4.5 10.4 1.0
HH11 B:ARG150 4.5 14.4 1.0
HA2 B:GLY10 4.7 12.0 1.0
H5'2 B:AMP208 4.7 12.9 1.0
NE B:ARG161 4.7 13.6 0.5
NE B:ARG124 4.8 9.9 1.0
O3B B:ADP207 4.8 9.3 1.0
HZ1 B:LYS13 4.8 15.9 1.0
HH22 B:ARG161 4.9 14.7 0.5
NE B:ARG161 4.9 12.5 0.5
O3P B:AMP208 4.9 13.1 1.0
CA B:GLY10 5.0 10.1 1.0
HH12 B:ARG85 5.0 22.5 1.0
NH2 B:ARG161 5.0 12.2 0.5

Reference:

S.J.Kerns, R.V.Agafonov, Y.J.Cho, F.Pontiggia, R.Otten, D.V.Pachov, S.Kutter, L.A.Phung, P.N.Murphy, V.Thai, T.Alber, M.F.Hagan, D.Kern. The Energy Landscape of Adenylate Kinase During Catalysis. Nat.Struct.Mol.Biol. V. 22 124 2015.
ISSN: ISSN 1545-9993
PubMed: 25580578
DOI: 10.1038/NSMB.2941
Page generated: Sun Dec 13 11:55:25 2020

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