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Potassium in PDB 8cfb: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D02

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D02

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D02:
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 D02, PDB code: 8cfb 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) 32.64 / 2.07
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.97, 103.68, 109.2, 90, 99.99, 90
R / Rfree (%) 23.5 / 27.1

Other elements in 8cfb:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D02 also contains other interesting chemical elements:

Fluorine (F) 2 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 D02 (pdb code 8cfb). 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 D02, PDB code: 8cfb:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfb

Go back to Potassium Binding Sites List in 8cfb
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 D02


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 D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:40.6
occ:1.00
 O A:HIS382 2.7 39.0 1.0
O A:THR380 2.8 42.8 1.0
OG1 A:THR380 2.8 41.8 1.0
O A:HOH642 2.8 36.0 1.0
O A:HOH651 3.0 38.0 1.0
O B:HOH658 3.0 36.6 1.0
OE1 A:GLN65 3.1 41.3 1.0
NE2 A:GLN65 3.4 36.8 1.0
CD A:GLN65 3.5 40.1 1.0
CB A:THR380 3.5 43.2 1.0
C A:HIS382 3.6 42.1 1.0
C A:THR380 3.6 38.2 1.0
O A:GLY381 3.8 35.6 1.0
CA A:PRO383 4.0 37.2 1.0
C A:GLY381 4.1 40.8 1.0
N A:PRO383 4.2 43.1 1.0
O A:HOH736 4.2 43.1 1.0
N6 A:ADE502 4.2 38.7 1.0
CA A:THR380 4.2 40.5 1.0
CB B:ASP216 4.3 42.5 1.0
N A:HIS382 4.5 39.6 1.0
N A:GLY381 4.5 39.6 1.0
CG B:ASP216 4.6 43.1 1.0
C A:PRO383 4.6 39.8 1.0
CG A:GLN65 4.6 43.7 1.0
OD1 B:ASP216 4.7 42.6 1.0
CA A:HIS382 4.7 39.8 1.0
CA A:GLY381 4.7 42.0 1.0
OE1 A:GLN91 4.8 42.0 1.0
O A:HOH737 4.8 42.9 1.0
N A:SER384 4.8 41.6 1.0
CG2 A:THR380 4.8 37.5 1.0
O B:ASP216 4.9 41.6 1.0

Potassium binding site 2 out of 4 in 8cfb

Go back to Potassium Binding Sites List in 8cfb
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 D02


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 D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:48.5
occ:1.00
 O B:HOH659 2.7 45.7 1.0
O B:HIS382 2.8 50.0 1.0
O B:THR380 2.8 57.5 1.0
OG1 B:THR380 2.9 46.6 1.0
O B:HOH667 3.0 45.0 1.0
O A:HOH658 3.2 49.3 1.0
OE1 B:GLN65 3.3 57.3 1.0
NE2 B:GLN65 3.5 50.9 1.0
CD B:GLN65 3.5 57.4 1.0
C B:HIS382 3.6 49.5 1.0
CB B:THR380 3.6 48.9 1.0
C B:THR380 3.6 55.5 1.0
O B:GLY381 3.8 51.7 1.0
CA B:PRO383 3.9 48.1 1.0
C B:GLY381 4.0 52.8 1.0
N B:PRO383 4.0 43.9 1.0
N6 B:ADE502 4.1 59.6 1.0
CA B:THR380 4.3 56.0 1.0
CB A:ASP216 4.3 44.7 1.0
N B:HIS382 4.4 52.8 1.0
N B:GLY381 4.5 53.7 1.0
CG A:ASP216 4.6 49.4 1.0
C B:PRO383 4.6 51.7 1.0
CA B:HIS382 4.6 53.1 1.0
O B:HOH681 4.6 50.6 1.0
OD1 A:ASP216 4.7 52.6 1.0
CG B:GLN65 4.7 53.5 1.0
CA B:GLY381 4.7 53.4 1.0
N B:SER384 4.8 53.3 1.0
CG2 B:THR380 4.9 47.9 1.0
O A:ASP216 4.9 48.4 1.0
O B:HOH629 5.0 52.6 1.0

Potassium binding site 3 out of 4 in 8cfb

Go back to Potassium Binding Sites List in 8cfb
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 D02


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 D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K503

b:64.5
occ:1.00
 O C:HIS382 2.8 85.6 1.0
OG1 C:THR380 2.8 85.7 1.0
O C:THR380 2.8 83.2 1.0
OE1 C:GLN65 3.1 85.7 1.0
NE2 C:GLN65 3.3 84.9 1.0
CD C:GLN65 3.3 85.2 1.0
CB C:THR380 3.4 82.6 1.0
C C:THR380 3.6 82.7 1.0
C C:HIS382 3.7 79.1 1.0
N6 C:ADE502 3.9 79.9 1.0
O C:GLY381 4.0 78.9 1.0
CA C:PRO383 4.0 79.1 1.0
CA C:THR380 4.2 83.1 1.0
C C:GLY381 4.2 81.8 1.0
N C:PRO383 4.2 77.6 1.0
CB D:ASP216 4.4 73.8 1.0
N C:HIS382 4.5 80.3 1.0
CG C:GLN65 4.5 85.1 1.0
CG D:ASP216 4.6 78.3 1.0
N C:GLY381 4.6 82.0 1.0
C C:PRO383 4.7 80.0 1.0
CA C:HIS382 4.7 79.0 1.0
OD1 D:ASP216 4.7 79.5 1.0
CG2 C:THR380 4.7 82.9 1.0
CA C:GLY381 4.8 81.7 1.0
OE1 C:GLN91 4.9 87.9 1.0
N C:SER384 4.9 79.3 1.0
O D:ASP216 5.0 70.7 1.0

Potassium binding site 4 out of 4 in 8cfb

Go back to Potassium Binding Sites List in 8cfb
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 D02


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 D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K503

b:54.5
occ:1.00
 O D:HIS382 2.7 70.1 1.0
O D:THR380 2.8 80.0 1.0
O D:HOH628 2.9 69.9 1.0
OG1 D:THR380 3.1 85.9 1.0
NE2 D:GLN65 3.2 79.7 1.0
OE1 D:GLN65 3.3 79.9 1.0
CD D:GLN65 3.5 79.8 1.0
CB D:THR380 3.6 77.7 1.0
C D:HIS382 3.7 69.1 1.0
C D:THR380 3.7 75.8 1.0
N6 D:ADE502 3.9 64.6 1.0
O D:GLY381 4.0 68.0 1.0
CA D:PRO383 4.1 69.7 1.0
C D:GLY381 4.2 67.9 1.0
N D:PRO383 4.3 69.2 1.0
CA D:THR380 4.3 73.9 1.0
CB C:ASP216 4.4 76.6 1.0
N D:HIS382 4.5 70.4 1.0
C D:PRO383 4.6 70.5 1.0
CG C:ASP216 4.6 74.1 1.0
N D:GLY381 4.7 70.1 1.0
CG D:GLN65 4.7 79.7 1.0
N D:SER384 4.7 65.4 1.0
CA D:HIS382 4.7 66.5 1.0
OD2 C:ASP216 4.8 76.1 1.0
CA D:GLY381 4.8 73.2 1.0
CG2 D:THR380 4.9 76.8 1.0
OE1 D:GLN91 4.9 81.6 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 F2X-Entry Library Fragment D02 To Be Published.
Page generated: Mon Aug 12 22:23:54 2024

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