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Potassium in PDB 8cfn: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03:
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 F03, PDB code: 8cfn 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) 39.46 / 1.34
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.55, 85.31, 111.41, 90, 122.52, 90
R / Rfree (%) 15.8 / 18.8

Other elements in 8cfn:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03 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 F03 (pdb code 8cfn). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 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 F03, PDB code: 8cfn:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 8cfn

Go back to Potassium Binding Sites List in 8cfn
Potassium binding site 1 out of 2 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03


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 F03 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:18.7
occ:1.00
O A:THR380 2.7 16.5 1.0
O A:HOH805 2.7 19.2 1.0
O A:HIS382 2.7 17.1 1.0
O A:HOH806 2.8 17.9 1.0
OG1 A:THR380 2.9 17.8 1.0
O C:HOH808 3.1 18.6 1.0
OE1 A:GLN65 3.3 17.1 1.0
NE2 A:GLN65 3.4 16.8 1.0
CD A:GLN65 3.5 15.4 1.0
CB A:THR380 3.5 16.2 1.0
C A:THR380 3.6 16.1 1.0
C A:HIS382 3.6 15.8 1.0
O A:GLY381 3.7 16.2 1.0
CA A:PRO383 4.0 16.2 1.0
N6 A:ADE506 4.0 17.3 1.0
C A:GLY381 4.1 15.1 1.0
N A:PRO383 4.2 16.2 1.0
CA A:THR380 4.2 15.2 1.0
CB C:ASP216 4.3 17.7 1.0
O A:HOH910 4.4 21.4 1.0
N A:HIS382 4.5 16.6 1.0
CG C:ASP216 4.5 17.7 1.0
N A:GLY381 4.5 15.6 1.0
OD1 C:ASP216 4.6 17.1 1.0
CG A:GLN65 4.6 17.1 1.0
C A:PRO383 4.7 14.7 1.0
CA A:HIS382 4.7 17.1 1.0
N A:SER384 4.7 14.4 1.0
CA A:GLY381 4.7 15.1 1.0
CG2 A:THR380 4.8 16.5 1.0
OE1 A:GLN91 4.8 21.0 1.0
O C:ASP216 5.0 17.4 1.0

Potassium binding site 2 out of 2 in 8cfn

Go back to Potassium Binding Sites List in 8cfn
Potassium binding site 2 out of 2 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment F03


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 F03 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K502

b:17.0
occ:1.00
O C:THR380 2.7 16.0 1.0
O C:HOH814 2.8 16.7 1.0
O C:HIS382 2.8 15.7 1.0
OG1 C:THR380 2.8 16.4 1.0
O C:HOH864 2.8 15.5 1.0
O A:HOH758 3.1 17.8 1.0
OE1 C:GLN65 3.2 16.6 1.0
NE2 C:GLN65 3.4 15.5 1.0
CD C:GLN65 3.4 15.5 1.0
CB C:THR380 3.5 15.6 1.0
C C:THR380 3.6 15.2 1.0
C C:HIS382 3.6 16.3 1.0
O C:GLY381 3.7 16.0 1.0
CA C:PRO383 4.0 15.3 1.0
N6 C:ADE510 4.0 16.3 1.0
C C:GLY381 4.1 15.6 1.0
CA C:THR380 4.2 15.0 1.0
N C:PRO383 4.2 14.6 1.0
CB A:ASP216 4.3 16.4 1.0
O C:HOH968 4.4 19.1 1.0
N C:HIS382 4.4 14.7 1.0
N C:GLY381 4.5 15.5 1.0
CG A:ASP216 4.5 17.3 1.0
CG C:GLN65 4.6 15.4 1.0
OD1 A:ASP216 4.6 17.7 1.0
CA C:HIS382 4.7 16.2 1.0
C C:PRO383 4.7 15.7 1.0
CA C:GLY381 4.7 15.9 1.0
N C:SER384 4.8 15.5 1.0
CG2 C:THR380 4.8 15.8 1.0
OE1 C:GLN91 4.8 17.9 1.0
O A:ASP216 5.0 17.3 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 F03 To Be Published.
Page generated: Mon Aug 12 22:30:07 2024

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