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Potassium in PDB 8cfl: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment E07

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment E07

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment E07:
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 E07, PDB code: 8cfl 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) 29.32 / 1.73
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 178.45, 104.83, 107.59, 90, 99.44, 90
R / Rfree (%) 16.5 / 20.1

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 E07 (pdb code 8cfl). 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 E07, PDB code: 8cfl:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfl

Go back to Potassium Binding Sites List in 8cfl
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 E07


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 E07 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:29.1
occ:1.00
O A:THR380 2.7 28.9 1.0
OG1 A:THR380 2.8 28.9 1.0
O A:HOH782 2.8 28.0 1.0
O A:HIS382 2.8 26.8 1.0
O A:HOH754 2.9 24.4 1.0
O B:HOH686 3.2 26.5 1.0
OE1 A:GLN65 3.2 29.8 1.0
NE2 A:GLN65 3.3 25.7 1.0
CB A:THR380 3.4 28.0 1.0
CD A:GLN65 3.4 28.6 1.0
C A:THR380 3.6 24.9 1.0
C A:HIS382 3.7 25.1 1.0
O A:GLY381 3.8 27.1 1.0
N6 A:ADE502 4.0 26.0 1.0
CA A:PRO383 4.1 25.8 1.0
C A:GLY381 4.1 28.9 1.0
CA A:THR380 4.1 29.4 1.0
CB B:ASP216 4.2 27.2 1.0
N A:PRO383 4.2 26.0 1.0
O A:HOH896 4.4 29.7 1.0
CG B:ASP216 4.4 26.6 1.0
N A:GLY381 4.5 27.9 1.0
N A:HIS382 4.5 26.9 1.0
OD1 B:ASP216 4.6 27.5 1.0
CG A:GLN65 4.6 28.9 1.0
CG2 A:THR380 4.7 27.6 1.0
CA A:GLY381 4.7 26.4 1.0
C A:PRO383 4.8 27.6 1.0
CA A:HIS382 4.8 27.3 1.0
OE1 A:GLN91 4.8 30.8 1.0
N A:SER384 4.8 29.6 1.0
O B:ASP216 5.0 28.0 1.0

Potassium binding site 2 out of 4 in 8cfl

Go back to Potassium Binding Sites List in 8cfl
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 E07


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 E07 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:29.1
occ:1.00
O B:HOH793 2.7 29.9 1.0
O B:HIS382 2.8 27.1 1.0
O B:THR380 2.8 28.6 1.0
OG1 B:THR380 2.8 29.6 1.0
O B:HOH766 2.8 24.8 1.0
O A:HOH828 2.9 27.6 1.0
OE1 B:GLN65 3.3 28.5 1.0
NE2 B:GLN65 3.3 24.9 1.0
CB B:THR380 3.5 32.7 1.0
CD B:GLN65 3.5 31.8 1.0
C B:HIS382 3.6 24.2 1.0
C B:THR380 3.6 29.4 1.0
O B:GLY381 3.8 27.1 1.0
CA B:PRO383 4.0 26.3 1.0
C B:GLY381 4.1 31.1 1.0
N6 B:ADE502 4.1 27.0 1.0
N B:PRO383 4.2 29.4 1.0
CA B:THR380 4.2 25.8 1.0
CB A:ASP216 4.3 25.1 1.0
O B:HOH870 4.3 34.5 1.0
N B:HIS382 4.4 26.9 1.0
CG A:ASP216 4.5 29.9 1.0
N B:GLY381 4.6 29.6 1.0
OD1 A:ASP216 4.6 28.3 1.0
CA B:HIS382 4.6 27.4 1.0
CG B:GLN65 4.7 29.1 1.0
C B:PRO383 4.7 32.5 1.0
CG2 B:THR380 4.7 29.9 1.0
N B:SER384 4.8 29.0 1.0
CA B:GLY381 4.8 29.6 1.0
OE1 B:GLN91 4.8 30.8 1.0
O A:ASP216 4.9 29.4 1.0

Potassium binding site 3 out of 4 in 8cfl

Go back to Potassium Binding Sites List in 8cfl
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 E07


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 E07 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K505

b:29.6
occ:1.00
O C:HOH732 2.7 31.2 1.0
O C:THR380 2.7 28.6 1.0
O C:HIS382 2.8 29.3 1.0
O C:HOH771 2.8 25.8 1.0
OG1 C:THR380 2.9 30.3 1.0
O D:HOH746 3.2 31.2 1.0
OE1 C:GLN65 3.2 33.0 1.0
NE2 C:GLN65 3.4 28.7 1.0
CD C:GLN65 3.5 32.1 1.0
CB C:THR380 3.5 32.3 1.0
C C:THR380 3.6 34.6 1.0
C C:HIS382 3.6 27.7 1.0
O C:GLY381 3.8 27.0 1.0
N6 C:ADE502 4.0 29.7 1.0
CA C:PRO383 4.0 27.7 1.0
C C:GLY381 4.1 34.2 1.0
CA C:THR380 4.2 32.3 1.0
N C:PRO383 4.2 30.4 1.0
CB D:ASP216 4.3 30.9 1.0
N C:HIS382 4.4 31.5 1.0
O C:HOH880 4.5 32.8 1.0
N C:GLY381 4.5 33.6 1.0
CG D:ASP216 4.6 31.4 1.0
CG C:GLN65 4.6 27.3 1.0
CA C:HIS382 4.7 31.3 1.0
OD1 D:ASP216 4.7 33.9 1.0
OE1 C:GLN91 4.7 34.1 1.0
CA C:GLY381 4.7 29.2 1.0
C C:PRO383 4.7 30.8 1.0
CG2 C:THR380 4.8 29.9 1.0
N C:SER384 4.8 28.9 1.0

Potassium binding site 4 out of 4 in 8cfl

Go back to Potassium Binding Sites List in 8cfl
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 E07


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 E07 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:28.7
occ:0.93
O D:THR380 2.7 30.9 1.0
OG1 D:THR380 2.8 30.0 1.0
O D:HIS382 2.8 26.9 1.0
O D:HOH739 2.9 27.7 1.0
O D:HOH691 2.9 31.2 1.0
O C:HOH734 3.2 29.8 1.0
OE1 D:GLN65 3.2 31.6 1.0
NE2 D:GLN65 3.4 29.5 1.0
CB D:THR380 3.4 31.1 1.0
CD D:GLN65 3.5 33.2 1.0
C D:THR380 3.6 32.9 1.0
C D:HIS382 3.7 25.8 1.0
O D:GLY381 3.8 29.1 1.0
N6 D:ADE502 4.0 36.5 1.0
CA D:PRO383 4.1 27.2 1.0
C D:GLY381 4.1 31.0 1.0
CA D:THR380 4.1 30.9 1.0
N D:PRO383 4.2 27.0 1.0
CB C:ASP216 4.4 31.9 1.0
N D:HIS382 4.5 28.6 1.0
N D:GLY381 4.5 32.0 1.0
CG C:ASP216 4.6 31.6 1.0
O D:HOH897 4.6 32.8 1.0
OD1 C:ASP216 4.6 30.1 1.0
CG D:GLN65 4.7 32.6 1.0
CA D:HIS382 4.7 28.1 1.0
C D:PRO383 4.7 30.4 1.0
CA D:GLY381 4.8 30.7 1.0
CG2 D:THR380 4.8 32.4 1.0
OE1 D:GLN91 4.8 35.1 1.0
N D:SER384 4.8 32.0 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 E07 To Be Published.
Page generated: Mon Aug 12 22:29:23 2024

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