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Potassium in PDB 8cfg: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment C04

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment C04

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment C04:
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 C04, PDB code: 8cfg 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) 37.12 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.94, 132.8, 98.78, 90, 101.13, 90
R / Rfree (%) 16.2 / 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 C04 (pdb code 8cfg). 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 C04, PDB code: 8cfg:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfg

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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 C04


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 C04 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:20.4
occ:1.00
O A:THR380 2.7 19.7 1.0
O A:HIS382 2.7 20.1 1.0
O A:HOH655 2.9 20.0 1.0
O A:HOH792 2.9 17.1 1.0
OG1 A:THR380 2.9 17.4 1.0
O B:HOH784 3.1 20.4 1.0
OE1 A:GLN65 3.2 21.1 1.0
NE2 A:GLN65 3.3 19.3 1.0
CD A:GLN65 3.4 21.9 1.0
CB A:THR380 3.5 16.5 1.0
C A:THR380 3.6 16.5 1.0
C A:HIS382 3.6 16.9 1.0
O A:GLY381 3.8 18.2 1.0
N6 A:ADE502 4.0 18.0 1.0
CA A:PRO383 4.0 19.3 1.0
C A:GLY381 4.1 17.0 1.0
N A:PRO383 4.2 17.6 1.0
CA A:THR380 4.2 15.2 1.0
CB B:ASP216 4.3 17.1 1.0
N A:HIS382 4.5 18.2 1.0
O A:HOH902 4.5 21.1 1.0
N A:GLY381 4.5 17.8 1.0
CG A:GLN65 4.6 20.2 1.0
CG B:ASP216 4.6 19.5 1.0
CA A:HIS382 4.7 20.9 1.0
OD1 B:ASP216 4.7 20.1 1.0
CA A:GLY381 4.7 16.8 1.0
C A:PRO383 4.7 20.7 1.0
N A:SER384 4.8 19.9 1.0
OE1 A:GLN91 4.8 19.6 1.0
CG2 A:THR380 4.8 18.5 1.0

Potassium binding site 2 out of 4 in 8cfg

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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 C04


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 C04 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K506

b:19.6
occ:1.00
O B:THR380 2.7 19.6 1.0
O B:HIS382 2.7 20.1 1.0
O B:HOH727 2.8 22.0 1.0
OG1 B:THR380 2.8 19.6 1.0
O B:HOH766 2.8 18.1 1.0
O A:HOH768 3.0 20.1 1.0
OE1 B:GLN65 3.2 19.1 1.0
NE2 B:GLN65 3.4 16.5 1.0
CB B:THR380 3.4 20.5 1.0
CD B:GLN65 3.4 21.2 1.0
C B:THR380 3.6 18.8 1.0
C B:HIS382 3.6 18.4 1.0
O B:GLY381 3.8 19.3 1.0
CA B:PRO383 4.0 15.6 1.0
N6 B:ADE503 4.0 19.8 1.0
C B:GLY381 4.1 21.9 1.0
N B:PRO383 4.2 19.5 1.0
CA B:THR380 4.2 18.2 1.0
CB A:ASP216 4.3 18.9 1.0
O B:HOH918 4.4 20.0 1.0
N B:HIS382 4.5 21.6 1.0
CG A:ASP216 4.6 20.2 1.0
N B:GLY381 4.6 16.9 1.0
CG B:GLN65 4.6 16.0 1.0
OD1 A:ASP216 4.6 21.0 1.0
C B:PRO383 4.7 19.9 1.0
CA B:HIS382 4.7 20.8 1.0
CG2 B:THR380 4.7 20.4 1.0
N B:SER384 4.8 16.4 1.0
CA B:GLY381 4.8 17.9 1.0
OE1 B:GLN91 4.9 19.2 1.0
O A:ASP216 5.0 17.5 1.0

Potassium binding site 3 out of 4 in 8cfg

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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 C04


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 C04 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K503

b:23.2
occ:1.00
O C:THR380 2.8 21.8 1.0
OG1 C:THR380 2.8 23.1 1.0
O C:HOH755 2.8 22.3 1.0
O C:HIS382 2.8 21.5 1.0
O C:HOH796 2.8 23.7 1.0
OE1 C:GLN65 3.2 22.5 1.0
O D:HOH666 3.3 22.3 1.0
NE2 C:GLN65 3.4 20.9 1.0
CD C:GLN65 3.5 23.7 1.0
CB C:THR380 3.5 23.5 1.0
C C:THR380 3.6 21.0 1.0
C C:HIS382 3.7 20.4 1.0
O C:GLY381 3.8 20.8 1.0
CA C:PRO383 4.0 22.8 1.0
N6 C:ADE502 4.0 23.4 1.0
C C:GLY381 4.1 22.7 1.0
N C:PRO383 4.2 22.9 1.0
CA C:THR380 4.2 19.0 1.0
CB D:ASP216 4.3 24.6 1.0
O C:HOH862 4.5 29.0 1.0
N C:HIS382 4.5 19.5 1.0
N C:GLY381 4.5 22.6 1.0
CG D:ASP216 4.6 25.4 1.0
CG C:GLN65 4.7 23.9 1.0
OD1 D:ASP216 4.7 21.4 1.0
C C:PRO383 4.7 24.8 1.0
CA C:HIS382 4.7 18.9 1.0
CA C:GLY381 4.7 23.1 1.0
CG2 C:THR380 4.8 21.5 1.0
N C:SER384 4.8 20.8 1.0
OE1 C:GLN91 4.8 27.9 1.0
O D:ASP216 4.9 23.2 1.0

Potassium binding site 4 out of 4 in 8cfg

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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 C04


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 C04 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:21.9
occ:0.96
O D:THR380 2.7 21.6 1.0
O D:HIS382 2.7 21.6 1.0
O D:HOH793 2.8 19.6 1.0
OG1 D:THR380 2.8 20.8 1.0
O D:HOH811 2.9 21.2 1.0
O C:HOH730 3.1 19.2 1.0
OE1 D:GLN65 3.2 22.2 1.0
NE2 D:GLN65 3.4 22.6 1.0
CB D:THR380 3.5 23.0 1.0
CD D:GLN65 3.5 21.6 1.0
C D:THR380 3.6 22.7 1.0
C D:HIS382 3.6 22.1 1.0
O D:GLY381 3.8 21.0 1.0
CA D:PRO383 4.0 23.8 1.0
N6 D:ADE502 4.0 21.9 1.0
C D:GLY381 4.1 21.7 1.0
N D:PRO383 4.2 19.5 1.0
CA D:THR380 4.2 21.8 1.0
CB C:ASP216 4.3 17.9 1.0
O D:HOH905 4.4 27.4 1.0
N D:HIS382 4.5 20.8 1.0
CG C:ASP216 4.6 23.4 1.0
N D:GLY381 4.6 22.8 1.0
OD1 C:ASP216 4.6 20.9 1.0
CG D:GLN65 4.7 21.5 1.0
C D:PRO383 4.7 22.8 1.0
CA D:HIS382 4.7 21.6 1.0
N D:SER384 4.7 19.5 1.0
CG2 D:THR380 4.7 23.4 1.0
CA D:GLY381 4.8 20.2 1.0
OE1 D:GLN91 4.8 27.1 1.0
O C:ASP216 4.9 23.7 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 C04 To Be Published.
Page generated: Mon Aug 12 22:26:15 2024

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