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Potassium in PDB 8cfj: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D10

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D10

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D10:
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 D10, PDB code: 8cfj 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) 27.39 / 1.64
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.11, 132.72, 99.03, 90, 101.41, 90
R / Rfree (%) 16.8 / 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 D10 (pdb code 8cfj). 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 D10, PDB code: 8cfj:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfj

Go back to Potassium Binding Sites List in 8cfj
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 D10


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 D10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K505

b:21.1
occ:1.00
O A:THR380 2.7 21.3 1.0
O A:HIS382 2.7 23.6 1.0
O A:HOH668 2.8 22.8 1.0
O A:HOH801 2.8 21.8 1.0
OG1 A:THR380 2.9 20.1 1.0
O B:HOH832 3.1 22.2 1.0
OE1 A:GLN65 3.2 21.9 1.0
NE2 A:GLN65 3.4 22.5 1.0
CD A:GLN65 3.5 23.1 1.0
CB A:THR380 3.5 21.1 1.0
C A:THR380 3.6 20.1 1.0
C A:HIS382 3.7 22.2 1.0
O A:GLY381 3.8 19.8 1.0
N6 A:ADE502 4.0 20.4 1.0
CA A:PRO383 4.0 20.4 1.0
C A:GLY381 4.1 19.1 1.0
CA A:THR380 4.2 20.0 1.0
N A:PRO383 4.2 21.2 1.0
CB B:ASP216 4.3 22.1 1.0
O A:HOH896 4.5 25.4 1.0
N A:HIS382 4.5 19.7 1.0
N A:GLY381 4.5 20.3 1.0
CG B:ASP216 4.5 26.7 1.0
OD1 B:ASP216 4.6 22.1 1.0
CG A:GLN65 4.6 21.3 1.0
CA A:HIS382 4.7 22.3 1.0
CA A:GLY381 4.7 20.4 1.0
C A:PRO383 4.7 23.2 1.0
CG2 A:THR380 4.8 20.4 1.0
N A:SER384 4.8 24.3 1.0
OE1 A:GLN91 4.8 23.7 1.0

Potassium binding site 2 out of 4 in 8cfj

Go back to Potassium Binding Sites List in 8cfj
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 D10


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 D10 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K506

b:20.9
occ:1.00
O B:THR380 2.7 20.8 1.0
O B:HIS382 2.8 21.3 1.0
OG1 B:THR380 2.8 20.6 1.0
O B:HOH709 2.8 22.4 1.0
O B:HOH758 2.8 19.6 1.0
O A:HOH792 3.0 22.2 1.0
OE1 B:GLN65 3.2 20.5 1.0
NE2 B:GLN65 3.4 20.1 1.0
CB B:THR380 3.4 20.6 1.0
CD B:GLN65 3.5 22.7 1.0
C B:THR380 3.6 20.1 1.0
C B:HIS382 3.6 20.2 1.0
O B:GLY381 3.8 18.7 1.0
CA B:PRO383 4.0 17.8 1.0
C B:GLY381 4.1 21.3 1.0
N6 B:ADE503 4.1 23.6 1.0
CA B:THR380 4.2 19.3 1.0
N B:PRO383 4.2 18.5 1.0
CB A:ASP216 4.3 21.4 1.0
O B:HOH910 4.4 25.2 1.0
N B:HIS382 4.5 22.9 1.0
CG A:ASP216 4.5 21.6 1.0
N B:GLY381 4.5 19.5 1.0
CG B:GLN65 4.6 19.2 1.0
OD1 A:ASP216 4.6 23.9 1.0
C B:PRO383 4.7 20.9 1.0
CA B:HIS382 4.7 21.9 1.0
CG2 B:THR380 4.7 22.4 1.0
CA B:GLY381 4.7 20.4 1.0
N B:SER384 4.8 22.1 1.0
OE1 B:GLN91 4.8 21.4 1.0
O A:ASP216 5.0 19.3 1.0

Potassium binding site 3 out of 4 in 8cfj

Go back to Potassium Binding Sites List in 8cfj
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 D10


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 D10 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K503

b:25.8
occ:1.00
O C:HOH749 2.7 22.4 1.0
O C:HIS382 2.8 23.7 1.0
O C:HOH798 2.8 27.4 1.0
OG1 C:THR380 2.8 25.8 1.0
O C:THR380 2.8 24.8 1.0
O D:HOH648 3.1 25.5 1.0
OE1 C:GLN65 3.2 28.3 1.0
NE2 C:GLN65 3.4 24.2 1.0
CD C:GLN65 3.5 25.9 1.0
CB C:THR380 3.5 24.4 1.0
C C:HIS382 3.6 21.6 1.0
C C:THR380 3.7 24.3 1.0
O C:GLY381 3.9 21.6 1.0
CA C:PRO383 4.0 23.5 1.0
N6 C:ADE502 4.1 28.1 1.0
C C:GLY381 4.2 24.3 1.0
N C:PRO383 4.2 22.8 1.0
CB D:ASP216 4.2 24.7 1.0
CA C:THR380 4.3 21.4 1.0
N C:HIS382 4.5 22.2 1.0
CG D:ASP216 4.5 25.4 1.0
N C:GLY381 4.6 21.6 1.0
O C:HOH866 4.6 35.5 1.0
OD1 D:ASP216 4.6 23.9 1.0
CG C:GLN65 4.7 28.1 1.0
C C:PRO383 4.7 24.0 1.0
CA C:HIS382 4.7 23.0 1.0
N C:SER384 4.8 23.5 1.0
CG2 C:THR380 4.8 25.2 1.0
CA C:GLY381 4.8 21.2 1.0
OE1 C:GLN91 4.8 31.4 1.0
O D:ASP216 4.9 24.2 1.0

Potassium binding site 4 out of 4 in 8cfj

Go back to Potassium Binding Sites List in 8cfj
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 D10


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 D10 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:23.4
occ:0.99
OG1 D:THR380 2.7 21.8 1.0
O D:THR380 2.7 22.7 1.0
O D:HOH828 2.8 20.3 1.0
O D:HIS382 2.8 22.6 1.0
O D:HOH796 2.8 22.8 1.0
O C:HOH740 3.1 22.3 1.0
OE1 D:GLN65 3.3 21.2 1.0
NE2 D:GLN65 3.4 20.6 1.0
CB D:THR380 3.4 23.4 1.0
CD D:GLN65 3.5 24.0 1.0
C D:THR380 3.6 21.6 1.0
C D:HIS382 3.7 23.1 1.0
O D:GLY381 3.8 22.3 1.0
CA D:PRO383 4.1 23.1 1.0
N6 D:ADE503 4.1 22.7 1.0
C D:GLY381 4.1 24.2 1.0
CA D:THR380 4.2 24.2 1.0
N D:PRO383 4.2 20.2 1.0
CB C:ASP216 4.3 24.8 1.0
O D:HOH896 4.4 30.0 1.0
N D:HIS382 4.5 20.5 1.0
N D:GLY381 4.5 21.4 1.0
CG C:ASP216 4.5 26.0 1.0
OD1 C:ASP216 4.6 24.1 1.0
CG2 D:THR380 4.7 25.0 1.0
CG D:GLN65 4.7 17.5 1.0
CA D:HIS382 4.7 24.4 1.0
C D:PRO383 4.7 21.6 1.0
CA D:GLY381 4.8 24.3 1.0
N D:SER384 4.8 23.1 1.0
OE1 D:GLN91 4.8 25.7 1.0
O C:ASP216 4.9 22.9 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 D10 To Be Published.
Page generated: Mon Aug 12 22:27:58 2024

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