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Fluorine in PDB 3ex7: The Crystal Structure of Ejc in Its Transition State

Protein crystallography data

The structure of The Crystal Structure of Ejc in Its Transition State, PDB code: 3ex7 was solved by G.R.Andersen, K.H.Nielsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.06 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.040, 100.750, 145.880, 90.00, 112.08, 90.00
R / Rfree (%) 20.6 / 25.1

Other elements in 3ex7:

The structure of The Crystal Structure of Ejc in Its Transition State 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 The Crystal Structure of Ejc in Its Transition State (pdb code 3ex7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Crystal Structure of Ejc in Its Transition State, PDB code: 3ex7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 1 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F415

b:60.1
occ:1.00
F1 C:AF3415 0.0 60.1 1.0
AL C:AF3415 1.8 0.3 1.0
NH2 C:ARG367 2.6 25.4 1.0
NH1 C:ARG370 2.9 30.1 1.0
O C:HOH461 3.0 25.5 1.0
F2 C:AF3415 3.1 37.4 1.0
F3 C:AF3415 3.1 42.1 1.0
O3B C:ADP414 3.3 34.6 1.0
CB C:SER84 3.3 33.1 1.0
NH1 C:ARG367 3.4 27.4 1.0
CZ C:ARG367 3.4 27.0 1.0
N C:GLY85 3.7 25.3 1.0
CA C:SER84 3.7 25.5 1.0
CZ C:ARG370 3.9 37.2 1.0
NH2 C:ARG370 4.1 35.3 1.0
C C:SER84 4.2 38.1 1.0
O C:GLY366 4.2 25.3 1.0
N C:GLY340 4.3 30.6 1.0
OG C:SER84 4.4 43.9 1.0
CA C:GLY340 4.5 15.9 1.0
CA C:GLY85 4.6 26.8 1.0
NE C:ARG367 4.7 27.4 1.0
PB C:ADP414 4.7 32.0 1.0
C C:GLY366 4.7 31.6 1.0
ND1 C:HIS363 4.8 22.7 1.0
O C:HOH417 4.9 27.0 1.0

Fluorine binding site 2 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 2 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F415

b:37.4
occ:1.00
F2 C:AF3415 0.0 37.4 1.0
AL C:AF3415 1.8 0.3 1.0
O C:HOH569 2.6 27.9 1.0
O C:HOH417 2.9 27.0 1.0
F1 C:AF3415 3.1 60.1 1.0
F3 C:AF3415 3.1 42.1 1.0
NZ C:LYS88 3.1 20.7 1.0
CA C:SER84 3.4 25.5 1.0
O3B C:ADP414 3.5 34.6 1.0
CB C:ALA219 3.5 24.0 1.0
O C:HOH461 3.7 25.5 1.0
CB C:SER84 3.9 33.1 1.0
O2B C:ADP414 4.0 25.6 1.0
CE C:LYS88 4.0 40.7 1.0
PB C:ADP414 4.0 32.0 1.0
N C:GLY85 4.1 25.3 1.0
N C:ALA219 4.1 29.2 1.0
N C:SER84 4.1 28.9 1.0
O C:HOH571 4.3 33.4 1.0
O C:GLN83 4.3 31.7 1.0
C C:SER84 4.3 38.1 1.0
CA C:ALA219 4.3 30.2 1.0
O1B C:ADP414 4.4 28.5 1.0
O C:SER82 4.4 21.5 1.0
C C:GLN83 4.4 33.4 1.0
MG C:MG416 4.7 32.7 1.0
CE1 C:HIS363 4.8 32.6 1.0
ND1 C:HIS363 4.8 22.7 1.0
OE1 C:GLU188 4.8 33.4 1.0

Fluorine binding site 3 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 3 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F415

b:42.1
occ:1.00
F3 C:AF3415 0.0 42.1 1.0
AL C:AF3415 1.8 0.3 1.0
MG C:MG416 2.2 32.7 1.0
O3B C:ADP414 2.7 34.6 1.0
O1B C:ADP414 3.0 28.5 1.0
O C:HOH572 3.1 22.9 1.0
O C:HOH570 3.1 34.6 1.0
F1 C:AF3415 3.1 60.1 1.0
O C:HOH571 3.1 33.4 1.0
F2 C:AF3415 3.1 37.4 1.0
O C:HOH461 3.3 25.5 1.0
OE1 C:GLU188 3.3 33.4 1.0
PB C:ADP414 3.4 32.0 1.0
CA C:GLY340 3.4 15.9 1.0
N C:GLY340 3.9 30.6 1.0
O C:HOH417 3.9 27.0 1.0
NZ C:LYS88 4.1 20.7 1.0
O C:GLY340 4.2 29.2 1.0
C C:GLY340 4.3 25.7 1.0
NH2 C:ARG370 4.3 35.3 1.0
OG1 C:THR89 4.4 31.2 1.0
O2B C:ADP414 4.4 25.6 1.0
CD C:GLU188 4.5 38.0 1.0
O C:HOH569 4.6 27.9 1.0
O3A C:ADP414 4.7 36.5 1.0
NH1 C:ARG370 4.8 30.1 1.0
O2A C:ADP414 4.8 22.1 1.0
NH2 C:ARG367 4.9 25.4 1.0

Fluorine binding site 4 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 4 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F415

b:52.0
occ:1.00
F1 H:AF3415 0.0 52.0 1.0
AL H:AF3415 1.8 0.4 1.0
NH2 H:ARG367 2.9 63.7 1.0
NH1 H:ARG370 3.0 57.3 1.0
O3B H:ADP414 3.0 52.4 1.0
O H:HOH421 3.0 47.8 1.0
F3 H:AF3415 3.1 66.6 1.0
F2 H:AF3415 3.1 72.9 1.0
NH1 H:ARG367 3.3 66.4 1.0
CB H:SER84 3.5 52.4 1.0
CZ H:ARG367 3.5 66.2 1.0
N H:GLY85 3.6 55.6 1.0
CZ H:ARG370 3.8 65.5 1.0
CA H:SER84 3.9 51.2 1.0
NH2 H:ARG370 3.9 51.3 1.0
O H:GLY366 4.1 65.2 1.0
C H:SER84 4.2 55.7 1.0
OG H:SER84 4.2 58.5 1.0
N H:GLY340 4.3 61.2 1.0
CA H:GLY340 4.4 60.0 1.0
PB H:ADP414 4.4 49.0 1.0
CA H:GLY85 4.5 46.5 1.0
O H:HOH489 4.6 52.1 1.0
C H:GLY366 4.8 71.7 1.0
O H:HOH418 4.8 33.3 1.0
NE H:ARG367 4.8 68.9 1.0
ND1 H:HIS363 4.9 61.8 1.0
C H:GLY340 5.0 60.4 1.0

Fluorine binding site 5 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 5 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F415

b:72.9
occ:1.00
F2 H:AF3415 0.0 72.9 1.0
AL H:AF3415 1.8 0.4 1.0
O H:HOH419 2.6 43.3 1.0
CB H:ALA219 2.9 59.3 1.0
O H:HOH489 3.0 52.1 1.0
F3 H:AF3415 3.1 66.6 1.0
F1 H:AF3415 3.1 52.0 1.0
O H:HOH421 3.1 47.8 1.0
NZ H:LYS88 3.5 49.7 1.0
N H:ALA219 3.6 45.8 1.0
CA H:ALA219 3.8 63.9 1.0
CA H:SER84 3.8 51.2 1.0
CB H:SER84 3.9 52.4 1.0
CE1 H:HIS363 4.0 58.5 1.0
ND1 H:HIS363 4.0 61.8 1.0
O3B H:ADP414 4.2 52.4 1.0
O H:SER82 4.4 55.2 1.0
N H:SER84 4.5 52.3 1.0
O2B H:ADP414 4.6 42.2 1.0
N H:GLY85 4.7 55.6 1.0
CE H:LYS88 4.7 64.8 1.0
O H:HOH491 4.7 48.8 1.0
C H:SER218 4.8 59.0 1.0
PB H:ADP414 4.8 49.0 1.0
O H:GLN83 4.8 59.2 1.0
OE2 H:GLU188 4.8 65.6 1.0
OE1 H:GLU188 4.8 59.5 1.0
C H:GLN83 4.8 55.2 1.0
C H:SER84 4.9 55.7 1.0
NH2 H:ARG367 5.0 63.7 1.0

Fluorine binding site 6 out of 6 in 3ex7

Go back to Fluorine Binding Sites List in 3ex7
Fluorine binding site 6 out of 6 in the The Crystal Structure of Ejc in Its Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Crystal Structure of Ejc in Its Transition State within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F415

b:66.6
occ:1.00
F3 H:AF3415 0.0 66.6 1.0
AL H:AF3415 1.8 0.4 1.0
MG H:MG416 2.2 40.2 1.0
O3B H:ADP414 2.8 52.4 1.0
O H:HOH490 3.0 41.8 1.0
O H:HOH421 3.0 47.8 1.0
F1 H:AF3415 3.1 52.0 1.0
O H:HOH491 3.1 48.8 1.0
F2 H:AF3415 3.1 72.9 1.0
O1B H:ADP414 3.2 45.1 1.0
O H:HOH492 3.2 28.3 1.0
PB H:ADP414 3.4 49.0 1.0
OE1 H:GLU188 3.6 59.5 1.0
CA H:GLY340 3.6 60.0 1.0
O H:HOH419 3.7 43.3 1.0
O H:HOH489 4.0 52.1 1.0
NZ H:LYS88 4.1 49.7 1.0
N H:GLY340 4.1 61.2 1.0
O2B H:ADP414 4.2 42.2 1.0
OG1 H:THR89 4.4 61.1 1.0
CD H:GLU188 4.5 60.0 1.0
O H:GLY340 4.5 47.8 1.0
C H:GLY340 4.6 60.4 1.0
NH2 H:ARG370 4.6 51.3 1.0
O3A H:ADP414 4.7 60.1 1.0
OE2 H:GLU188 4.8 65.6 1.0

Reference:

K.H.Nielsen, H.Chamieh, C.B.Andersen, F.Fredslund, K.Hamborg, H.Le Hir, G.R.Andersen. Mechanism of Atp Turnover Inhibition in the Ejc Rna V. 15 67 2009.
ISSN: ISSN 1355-8382
PubMed: 19033377
DOI: 10.1261/RNA.1283109
Page generated: Wed Jul 31 18:23:51 2024

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