Potassium in PDB 8cfq: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11:
3.3.1.1;

Protein crystallography data

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11, PDB code: 8cfq was solved by P.H.Malecki, M.Gawel, M.Stepniewska, K.Brzezinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.73 / 1.73
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.9, 104.01, 107.52, 90, 100.76, 90
R / Rfree (%) 15.9 / 19

Other elements in 8cfq:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 (pdb code 8cfq). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11, PDB code: 8cfq:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfq

Go back to Potassium Binding Sites List in 8cfq
Potassium binding site 1 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:25.2
occ:1.00
O A:THR380 2.7 23.0 1.0
OG1 A:THR380 2.8 22.0 1.0
O A:HIS382 2.8 24.6 1.0
O A:HOH796 2.9 25.7 1.0
O A:HOH789 2.9 23.3 1.0
O B:HOH767 3.0 26.6 1.0
OE1 A:GLN65 3.3 24.4 1.0
NE2 A:GLN65 3.4 22.4 1.0
CB A:THR380 3.5 22.9 1.0
CD A:GLN65 3.5 22.6 1.0
C A:THR380 3.6 21.7 1.0
C A:HIS382 3.7 25.0 1.0
O A:GLY381 3.8 25.2 1.0
CA A:PRO383 4.0 22.5 1.0
N6 A:ADE502 4.0 24.1 1.0
C A:GLY381 4.1 23.8 1.0
CA A:THR380 4.2 23.9 1.0
N A:PRO383 4.2 25.6 1.0
CB B:ASP216 4.3 26.3 1.0
CG B:ASP216 4.5 27.0 1.0
N A:GLY381 4.5 23.4 1.0
N A:HIS382 4.5 23.4 1.0
OD1 B:ASP216 4.5 28.2 1.0
O A:HOH925 4.7 31.7 1.0
CG A:GLN65 4.7 22.7 1.0
CA A:GLY381 4.7 23.9 1.0
C A:PRO383 4.7 22.2 1.0
CA A:HIS382 4.8 26.1 1.0
CG2 A:THR380 4.8 24.2 1.0
N A:SER384 4.8 21.9 1.0
OE1 A:GLN91 4.8 27.5 1.0
O B:ASP216 5.0 23.4 1.0

Potassium binding site 2 out of 4 in 8cfq

Go back to Potassium Binding Sites List in 8cfq
Potassium binding site 2 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:30.9
occ:1.00
O B:THR380 2.8 29.9 1.0
O B:HIS382 2.8 28.4 1.0
OG1 B:THR380 2.8 28.8 1.0
O B:HOH730 2.8 29.0 1.0
O B:HOH721 2.8 24.9 1.0
O A:HOH763 3.0 29.5 1.0
OE1 B:GLN65 3.3 30.0 1.0
NE2 B:GLN65 3.4 27.2 1.0
CB B:THR380 3.5 28.6 1.0
CD B:GLN65 3.5 30.0 1.0
C B:HIS382 3.6 28.5 1.0
C B:THR380 3.6 30.9 1.0
O B:GLY381 3.7 29.0 1.0
CA B:PRO383 4.0 29.8 1.0
C B:GLY381 4.0 28.9 1.0
N6 B:ADE502 4.1 32.8 1.0
N B:PRO383 4.1 26.9 1.0
CA B:THR380 4.2 30.2 1.0
CB A:ASP216 4.3 28.6 1.0
N B:HIS382 4.5 29.2 1.0
O B:HOH854 4.5 36.5 1.0
N B:GLY381 4.5 30.6 1.0
CG A:ASP216 4.6 26.9 1.0
OD1 A:ASP216 4.7 28.1 1.0
C B:PRO383 4.7 27.0 1.0
CG B:GLN65 4.7 28.7 1.0
CA B:HIS382 4.7 29.6 1.0
CA B:GLY381 4.7 28.5 1.0
CG2 B:THR380 4.8 29.5 1.0
N B:SER384 4.8 27.1 1.0
OE1 B:GLN91 4.8 33.6 1.0
O A:ASP216 4.9 27.2 1.0

Potassium binding site 3 out of 4 in 8cfq

Go back to Potassium Binding Sites List in 8cfq
Potassium binding site 3 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K504

b:27.5
occ:1.00
O C:THR380 2.8 26.9 1.0
O C:HOH811 2.8 24.8 1.0
O C:HIS382 2.8 26.1 1.0
O C:HOH771 2.8 28.6 1.0
OG1 C:THR380 2.9 26.0 1.0
O D:HOH718 3.1 27.8 1.0
OE1 C:GLN65 3.2 27.9 1.0
NE2 C:GLN65 3.4 25.8 1.0
CD C:GLN65 3.5 27.9 1.0
CB C:THR380 3.5 27.3 1.0
C C:HIS382 3.6 27.4 1.0
C C:THR380 3.6 29.4 1.0
O C:GLY381 3.8 24.8 1.0
CA C:PRO383 4.0 25.5 1.0
N6 C:ADE502 4.1 28.7 1.0
C C:GLY381 4.1 25.7 1.0
N C:PRO383 4.2 26.3 1.0
CA C:THR380 4.2 28.6 1.0
CB D:ASP216 4.3 25.8 1.0
N C:HIS382 4.4 25.9 1.0
N C:GLY381 4.5 26.3 1.0
CG D:ASP216 4.6 26.6 1.0
OD1 D:ASP216 4.6 29.3 1.0
CG C:GLN65 4.6 20.9 1.0
CA C:HIS382 4.7 27.4 1.0
O C:HOH896 4.7 33.8 1.0
CA C:GLY381 4.7 22.8 1.0
C C:PRO383 4.7 23.9 1.0
N C:SER384 4.8 26.2 1.0
CG2 C:THR380 4.8 26.8 1.0
OE1 C:GLN91 4.8 28.4 1.0
O D:ASP216 4.9 27.0 1.0

Potassium binding site 4 out of 4 in 8cfq

Go back to Potassium Binding Sites List in 8cfq
Potassium binding site 4 out of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F11 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:25.2
occ:1.00
O D:THR380 2.6 26.5 1.0
O D:HOH778 2.7 28.2 1.0
OG1 D:THR380 2.8 27.5 1.0
O D:HIS382 2.8 24.3 1.0
O D:HOH835 2.8 24.4 1.0
O C:HOH746 3.1 26.9 1.0
OE1 D:GLN65 3.2 24.9 1.0
NE2 D:GLN65 3.4 24.6 1.0
CB D:THR380 3.4 27.6 1.0
CD D:GLN65 3.5 27.6 1.0
C D:THR380 3.6 26.9 1.0
C D:HIS382 3.6 25.6 1.0
O D:GLY381 3.7 26.0 1.0
CA D:PRO383 4.0 24.4 1.0
N6 D:ADE502 4.1 25.4 1.0
C D:GLY381 4.1 24.3 1.0
N D:PRO383 4.2 23.5 1.0
CA D:THR380 4.2 25.3 1.0
CB C:ASP216 4.3 24.8 1.0
N D:HIS382 4.5 26.8 1.0
N D:GLY381 4.5 27.1 1.0
CG C:ASP216 4.6 28.6 1.0
OD1 C:ASP216 4.6 27.4 1.0
O D:HOH909 4.6 33.5 1.0
CA D:HIS382 4.7 23.5 1.0
CA D:GLY381 4.7 24.5 1.0
CG D:GLN65 4.7 25.7 1.0
C D:PRO383 4.7 25.9 1.0
CG2 D:THR380 4.8 25.4 1.0
N D:SER384 4.8 26.3 1.0
OE1 D:GLN91 4.9 29.8 1.0
O C:ASP216 4.9 26.2 1.0

Reference:

P.H.Malecki, M.Gawel, M.Stepniewska, K.Brzezinski. Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with Fragment F2X-Entry F11 To Be Published.
Page generated: Mon Aug 12 22:31:23 2024

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