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Potassium in PDB 8cfo: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F04

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F04

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F04:
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 F04, PDB code: 8cfo 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) 34.92 / 2.13
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 177.76, 105.29, 107.71, 90, 99.72, 90
R / Rfree (%) 17.1 / 21.9

Other elements in 8cfo:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F04 also contains other interesting chemical elements:

Bromine (Br) 14 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 F04 (pdb code 8cfo). 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 F04, PDB code: 8cfo:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfo

Go back to Potassium Binding Sites List in 8cfo
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 F04


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 F04 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:37.0
occ:1.00
 O A:THR380 2.6 36.9 1.0
OG1 A:THR380 2.7 35.7 1.0
O A:HIS382 2.8 35.2 1.0
O A:HOH719 2.8 35.5 1.0
O A:HOH675 2.9 32.0 1.0
O B:HOH686 3.0 37.3 1.0
OE1 A:GLN65 3.4 42.5 1.0
NE2 A:GLN65 3.4 40.1 1.0
C A:THR380 3.5 37.1 1.0
CB A:THR380 3.5 38.1 1.0
CD A:GLN65 3.6 40.5 1.0
C A:HIS382 3.7 33.7 1.0
O A:GLY381 3.7 32.6 1.0
CA A:PRO383 4.0 35.1 1.0
C A:GLY381 4.1 37.1 1.0
N6 A:ADE502 4.1 38.8 1.0
CA A:THR380 4.1 36.6 1.0
N A:PRO383 4.2 34.9 1.0
CB B:ASP216 4.3 34.2 1.0
N A:GLY381 4.4 34.4 1.0
CG B:ASP216 4.5 37.9 1.0
O A:HOH794 4.5 37.4 1.0
N A:HIS382 4.5 35.0 1.0
OD1 B:ASP216 4.6 37.0 1.0
CA A:GLY381 4.7 33.0 1.0
C A:PRO383 4.7 35.3 1.0
N A:SER384 4.7 36.4 1.0
CA A:HIS382 4.7 36.8 1.0
CG A:GLN65 4.8 39.6 1.0
CG2 A:THR380 4.8 36.6 1.0
OE1 A:GLN91 4.8 40.5 1.0
O B:ASP216 4.9 36.7 1.0
O A:HOH647 5.0 29.1 1.0

Potassium binding site 2 out of 4 in 8cfo

Go back to Potassium Binding Sites List in 8cfo
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 F04


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 F04 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:36.9
occ:1.00
 O B:HOH695 2.7 41.0 1.0
O B:HIS382 2.7 36.6 1.0
OG1 B:THR380 2.8 39.5 1.0
O B:THR380 2.9 37.0 1.0
O B:HOH752 2.9 32.5 1.0
O B:HOH626 3.2 34.1 1.0
NE2 B:GLN65 3.3 34.8 1.0
OE1 B:GLN65 3.3 40.3 1.0
CD B:GLN65 3.5 38.3 1.0
CB B:THR380 3.6 41.7 1.0
C B:HIS382 3.7 37.4 1.0
C B:THR380 3.7 36.1 1.0
O B:GLY381 3.9 36.3 1.0
CA B:PRO383 4.1 33.7 1.0
C B:GLY381 4.1 38.0 1.0
N6 B:ADE502 4.1 41.2 1.0
O B:HOH760 4.1 39.5 1.0
N B:PRO383 4.2 35.0 1.0
CB A:ASP216 4.3 35.8 1.0
CA B:THR380 4.3 36.4 1.0
CG A:ASP216 4.4 37.1 1.0
N B:HIS382 4.5 36.6 1.0
N B:GLY381 4.6 37.6 1.0
OD1 A:ASP216 4.6 36.0 1.0
OE1 B:GLN91 4.7 45.4 1.0
CG B:GLN65 4.7 36.4 1.0
CA B:GLY381 4.7 37.8 1.0
CA B:HIS382 4.7 34.4 1.0
C B:PRO383 4.7 36.6 1.0
N B:SER384 4.8 36.4 1.0
CG2 B:THR380 4.9 36.5 1.0
OD2 A:ASP216 5.0 39.3 1.0

Potassium binding site 3 out of 4 in 8cfo

Go back to Potassium Binding Sites List in 8cfo
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 F04


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 F04 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K504

b:39.2
occ:1.00
 O C:HOH718 2.6 40.4 1.0
O C:THR380 2.7 37.2 1.0
O C:HIS382 2.8 40.4 1.0
OG1 C:THR380 2.8 41.4 1.0
O C:HOH705 2.9 36.1 1.0
OE1 C:GLN65 3.1 38.8 1.0
O D:HOH679 3.2 38.5 1.0
CB C:THR380 3.4 40.6 1.0
NE2 C:GLN65 3.5 38.0 1.0
CD C:GLN65 3.5 39.7 1.0
C C:THR380 3.6 39.2 1.0
C C:HIS382 3.7 38.0 1.0
O C:GLY381 3.8 36.3 1.0
N6 C:ADE502 4.1 42.3 1.0
C C:GLY381 4.1 37.1 1.0
CA C:PRO383 4.1 40.3 1.0
CA C:THR380 4.1 36.1 1.0
N C:PRO383 4.3 38.7 1.0
CB D:ASP216 4.3 37.7 1.0
N C:HIS382 4.5 38.1 1.0
CG D:ASP216 4.5 41.1 1.0
O C:HOH806 4.6 40.7 1.0
OD1 D:ASP216 4.6 43.4 1.0
N C:GLY381 4.6 38.2 1.0
CG2 C:THR380 4.7 37.1 1.0
CA C:HIS382 4.7 36.5 1.0
CG C:GLN65 4.7 39.9 1.0
N C:SER384 4.8 37.0 1.0
OE1 C:GLN91 4.8 43.8 1.0
C C:PRO383 4.8 41.2 1.0
CA C:GLY381 4.8 37.4 1.0
O D:ASP216 5.0 37.3 1.0

Potassium binding site 4 out of 4 in 8cfo

Go back to Potassium Binding Sites List in 8cfo
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 F04


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 F04 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:36.5
occ:1.00
 O D:HIS382 2.6 38.3 1.0
O D:HOH749 2.7 38.3 1.0
O D:THR380 2.7 40.5 1.0
OG1 D:THR380 2.7 40.1 1.0
O D:HOH726 2.8 32.8 1.0
O C:HOH711 2.9 35.6 1.0
OE1 D:GLN65 3.1 36.0 1.0
NE2 D:GLN65 3.3 36.1 1.0
CD D:GLN65 3.4 36.5 1.0
CB D:THR380 3.5 39.1 1.0
C D:THR380 3.6 38.6 1.0
C D:HIS382 3.6 36.1 1.0
O D:GLY381 3.8 35.5 1.0
N6 D:ADE502 4.0 38.7 1.0
C D:GLY381 4.0 37.2 1.0
CA D:PRO383 4.1 33.7 1.0
CA D:THR380 4.2 36.8 1.0
N D:PRO383 4.2 37.1 1.0
CB C:ASP216 4.3 33.0 1.0
N D:HIS382 4.4 34.5 1.0
O D:HOH810 4.4 39.4 1.0
N D:GLY381 4.5 36.9 1.0
CG C:ASP216 4.6 38.2 1.0
CA D:HIS382 4.6 35.3 1.0
CG D:GLN65 4.6 33.8 1.0
CA D:GLY381 4.7 32.5 1.0
C D:PRO383 4.7 33.6 1.0
OE1 D:GLN91 4.7 43.1 1.0
N D:SER384 4.7 33.0 1.0
CG2 D:THR380 4.8 37.3 1.0
OD1 C:ASP216 4.8 39.7 1.0
O C:ASP216 4.9 35.4 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 F04 To Be Published.
Page generated: Mon Aug 12 22:30:26 2024

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