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Potassium in PDB 8cfd: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A07

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A07

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A07:
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 A07, PDB code: 8cfd 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) 43.38 / 1.88
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 178.76, 105.14, 108.25, 90, 99.71, 90
R / Rfree (%) 17.4 / 21.6

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 A07 (pdb code 8cfd). 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 A07, PDB code: 8cfd:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfd

Go back to Potassium Binding Sites List in 8cfd
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 A07


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 A07 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:33.2
occ:1.00
 O A:THR380 2.7 33.4 1.0
O A:HIS382 2.7 34.4 1.0
OG1 A:THR380 2.8 32.7 1.0
O A:HOH772 2.9 35.8 1.0
O A:HOH781 2.9 31.5 1.0
O B:HOH700 3.1 32.5 1.0
OE1 A:GLN65 3.2 35.3 1.0
NE2 A:GLN65 3.3 29.0 1.0
CD A:GLN65 3.5 34.2 1.0
CB A:THR380 3.5 35.8 1.0
C A:THR380 3.6 33.4 1.0
C A:HIS382 3.7 33.7 1.0
O A:GLY381 3.9 32.6 1.0
CA A:PRO383 4.0 30.8 1.0
N6 A:ADE502 4.1 31.0 1.0
C A:GLY381 4.2 33.9 1.0
CA A:THR380 4.2 32.9 1.0
N A:PRO383 4.2 32.5 1.0
CB B:ASP216 4.3 31.9 1.0
O A:HOH865 4.4 34.5 1.0
N A:HIS382 4.5 33.2 1.0
CG B:ASP216 4.5 33.1 1.0
N A:GLY381 4.5 31.9 1.0
OD1 B:ASP216 4.6 31.6 1.0
CG A:GLN65 4.7 34.4 1.0
C A:PRO383 4.7 31.9 1.0
CA A:HIS382 4.7 34.4 1.0
CG2 A:THR380 4.8 34.0 1.0
CA A:GLY381 4.8 33.1 1.0
N A:SER384 4.8 34.3 1.0
OE1 A:GLN91 4.9 36.4 1.0

Potassium binding site 2 out of 4 in 8cfd

Go back to Potassium Binding Sites List in 8cfd
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 A07


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 A07 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:33.9
occ:1.00
 O B:HIS382 2.7 33.1 1.0
O B:HOH770 2.7 32.3 1.0
O B:THR380 2.8 34.7 1.0
OG1 B:THR380 2.8 33.2 1.0
O B:HOH748 2.8 32.5 1.0
O A:HOH775 3.0 32.9 1.0
NE2 B:GLN65 3.3 27.8 1.0
OE1 B:GLN65 3.3 34.4 1.0
CD B:GLN65 3.5 34.9 1.0
CB B:THR380 3.5 36.6 1.0
C B:HIS382 3.6 34.0 1.0
C B:THR380 3.7 33.8 1.0
O B:GLY381 3.9 34.1 1.0
CA B:PRO383 4.0 30.1 1.0
N6 B:ADE502 4.1 34.8 1.0
C B:GLY381 4.2 37.1 1.0
N B:PRO383 4.2 30.2 1.0
CA B:THR380 4.3 33.9 1.0
CB A:ASP216 4.3 30.9 1.0
O B:HOH862 4.4 36.9 1.0
N B:HIS382 4.5 33.6 1.0
CG A:ASP216 4.5 34.1 1.0
N B:GLY381 4.6 35.2 1.0
OD1 A:ASP216 4.6 31.9 1.0
CG B:GLN65 4.7 31.6 1.0
C B:PRO383 4.7 33.8 1.0
CA B:HIS382 4.7 32.5 1.0
N B:SER384 4.8 32.1 1.0
CG2 B:THR380 4.8 34.6 1.0
CA B:GLY381 4.8 33.6 1.0
OE1 B:GLN91 4.9 37.4 1.0
O A:ASP216 5.0 32.0 1.0

Potassium binding site 3 out of 4 in 8cfd

Go back to Potassium Binding Sites List in 8cfd
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 A07


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 A07 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K504

b:34.1
occ:1.00
 O C:HOH679 2.7 35.0 1.0
O C:THR380 2.7 33.0 1.0
O C:HIS382 2.8 36.0 1.0
O C:HOH781 2.9 30.5 1.0
OG1 C:THR380 3.0 30.5 1.0
O D:HOH683 3.1 32.5 1.0
OE1 C:GLN65 3.2 36.7 1.0
NE2 C:GLN65 3.3 32.9 1.0
CD C:GLN65 3.4 35.4 1.0
CB C:THR380 3.5 34.5 1.0
C C:THR380 3.6 33.1 1.0
C C:HIS382 3.7 33.9 1.0
O C:GLY381 3.9 31.0 1.0
N6 C:ADE502 4.0 34.8 1.0
CA C:PRO383 4.1 32.8 1.0
C C:GLY381 4.2 36.2 1.0
CA C:THR380 4.3 33.6 1.0
N C:PRO383 4.3 34.9 1.0
CB D:ASP216 4.3 34.7 1.0
O C:HOH864 4.5 36.1 1.0
N C:HIS382 4.5 35.6 1.0
CG D:ASP216 4.6 38.7 1.0
N C:GLY381 4.6 35.1 1.0
CG C:GLN65 4.6 33.4 1.0
OD1 D:ASP216 4.7 36.8 1.0
OE1 C:GLN91 4.7 37.7 1.0
C C:PRO383 4.7 33.8 1.0
CA C:HIS382 4.7 34.2 1.0
N C:SER384 4.8 34.3 1.0
CA C:GLY381 4.8 33.9 1.0
CG2 C:THR380 4.8 34.9 1.0

Potassium binding site 4 out of 4 in 8cfd

Go back to Potassium Binding Sites List in 8cfd
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 A07


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 A07 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K506

b:31.6
occ:0.92
 O D:HOH794 2.6 34.7 1.0
O D:THR380 2.7 33.0 1.0
OG1 D:THR380 2.8 35.2 1.0
O D:HIS382 2.8 33.0 1.0
O D:HOH779 2.9 34.0 1.0
OE1 D:GLN65 3.1 31.3 1.0
O C:HOH707 3.2 31.1 1.0
NE2 D:GLN65 3.3 33.0 1.0
CD D:GLN65 3.4 33.8 1.0
CB D:THR380 3.5 36.4 1.0
C D:THR380 3.6 37.3 1.0
C D:HIS382 3.7 33.5 1.0
O D:GLY381 3.9 33.2 1.0
N6 D:ADE502 4.0 40.1 1.0
CA D:PRO383 4.1 29.1 1.0
C D:GLY381 4.2 32.3 1.0
CA D:THR380 4.2 34.1 1.0
N D:PRO383 4.3 31.5 1.0
CB C:ASP216 4.4 33.1 1.0
O D:HOH867 4.5 35.4 1.0
CG C:ASP216 4.5 35.4 1.0
N D:HIS382 4.6 32.5 1.0
N D:GLY381 4.6 33.8 1.0
CG D:GLN65 4.6 33.7 1.0
OD1 C:ASP216 4.7 33.1 1.0
OE1 D:GLN91 4.7 39.6 1.0
C D:PRO383 4.7 32.4 1.0
CG2 D:THR380 4.8 36.8 1.0
CA D:HIS382 4.8 32.5 1.0
CA D:GLY381 4.8 32.8 1.0
N D:SER384 4.8 32.0 1.0
OD2 C:ASP216 5.0 33.8 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 A07 To Be Published.
Page generated: Mon Aug 12 22:25:33 2024

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