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Potassium in PDB 8cfc: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A01

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A01

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment A01:
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 A01, PDB code: 8cfc 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) 42.71 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.22, 104.32, 107.58, 90, 100.55, 90
R / Rfree (%) 15.5 / 19.1

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 A01 (pdb code 8cfc). 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 A01, PDB code: 8cfc:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 8cfc

Go back to Potassium Binding Sites List in 8cfc
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 A01


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 A01 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:19.8
occ:1.00
O A:THR380 2.8 18.5 1.0
OG1 A:THR380 2.8 20.1 1.0
O A:HOH858 2.8 21.2 1.0
O A:HIS382 2.8 19.9 1.0
O A:HOH782 2.8 20.6 1.0
O B:HOH746 3.1 21.7 1.0
OE1 A:GLN65 3.3 20.1 1.0
NE2 A:GLN65 3.4 16.6 1.0
CB A:THR380 3.5 18.4 1.0
CD A:GLN65 3.5 19.4 1.0
C A:THR380 3.6 19.0 1.0
C A:HIS382 3.7 18.4 1.0
O A:GLY381 3.8 17.8 1.0
CA A:PRO383 4.0 16.6 1.0
N6 A:ADE502 4.1 19.4 1.0
C A:GLY381 4.1 18.3 1.0
CA A:THR380 4.2 18.0 1.0
N A:PRO383 4.2 18.1 1.0
CB B:ASP216 4.2 19.8 1.0
O A:HOH960 4.5 24.0 1.0
N A:HIS382 4.5 18.4 1.0
N A:GLY381 4.5 17.8 1.0
CG B:ASP216 4.5 22.6 1.0
OD1 B:ASP216 4.6 22.4 1.0
CG A:GLN65 4.7 20.0 1.0
C A:PRO383 4.7 18.8 1.0
CA A:HIS382 4.7 20.5 1.0
CA A:GLY381 4.7 19.9 1.0
N A:SER384 4.8 16.9 1.0
CG2 A:THR380 4.8 17.9 1.0
OE1 A:GLN91 4.9 20.8 1.0
O B:ASP216 4.9 21.0 1.0

Potassium binding site 2 out of 4 in 8cfc

Go back to Potassium Binding Sites List in 8cfc
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 A01


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 A01 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:22.5
occ:1.00
O B:THR380 2.7 21.0 1.0
O B:HOH813 2.7 22.2 1.0
OG1 B:THR380 2.8 20.4 1.0
O B:HIS382 2.8 22.9 1.0
O B:HOH693 2.9 19.8 1.0
O A:HOH840 3.0 20.4 1.0
OE1 B:GLN65 3.2 23.4 1.0
NE2 B:GLN65 3.4 19.2 1.0
CB B:THR380 3.5 21.3 1.0
CD B:GLN65 3.5 23.9 1.0
C B:THR380 3.6 20.6 1.0
C B:HIS382 3.6 18.2 1.0
O B:GLY381 3.7 20.6 1.0
CA B:PRO383 4.0 18.8 1.0
N6 B:ADE502 4.0 21.1 1.0
C B:GLY381 4.1 24.7 1.0
N B:PRO383 4.2 21.0 1.0
CA B:THR380 4.2 20.5 1.0
CB A:ASP216 4.3 19.5 1.0
N B:HIS382 4.5 21.6 1.0
O B:HOH922 4.5 27.2 1.0
N B:GLY381 4.5 20.4 1.0
CG A:ASP216 4.6 24.2 1.0
CA B:HIS382 4.7 20.9 1.0
OD1 A:ASP216 4.7 21.1 1.0
CG B:GLN65 4.7 20.2 1.0
C B:PRO383 4.7 21.7 1.0
CA B:GLY381 4.8 22.4 1.0
CG2 B:THR380 4.8 20.7 1.0
N B:SER384 4.8 21.4 1.0
OE1 B:GLN91 4.9 22.2 1.0
O A:ASP216 5.0 21.1 1.0

Potassium binding site 3 out of 4 in 8cfc

Go back to Potassium Binding Sites List in 8cfc
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 A01


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 A01 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K504

b:22.6
occ:1.00
O C:THR380 2.7 20.6 1.0
O C:HOH730 2.8 23.7 1.0
O C:HIS382 2.8 23.0 1.0
OG1 C:THR380 2.9 23.5 1.0
O C:HOH736 2.9 20.9 1.0
O D:HOH730 3.1 22.7 1.0
OE1 C:GLN65 3.2 23.4 1.0
NE2 C:GLN65 3.3 21.2 1.0
CD C:GLN65 3.5 22.4 1.0
CB C:THR380 3.5 24.7 1.0
C C:THR380 3.6 20.7 1.0
C C:HIS382 3.7 23.8 1.0
O C:GLY381 3.8 20.5 1.0
CA C:PRO383 4.0 20.6 1.0
N6 C:ADE502 4.0 24.0 1.0
C C:GLY381 4.1 27.2 1.0
N C:PRO383 4.2 20.0 1.0
CA C:THR380 4.2 21.1 1.0
CB D:ASP216 4.3 24.7 1.0
O C:HOH926 4.4 25.7 1.0
N C:HIS382 4.5 21.9 1.0
N C:GLY381 4.5 22.0 1.0
CG D:ASP216 4.6 26.8 1.0
CG C:GLN65 4.6 18.5 1.0
OD1 D:ASP216 4.7 24.9 1.0
C C:PRO383 4.7 25.0 1.0
CA C:HIS382 4.7 25.6 1.0
CA C:GLY381 4.7 21.1 1.0
N C:SER384 4.8 22.2 1.0
OE1 C:GLN91 4.8 25.7 1.0
CG2 C:THR380 4.9 25.6 1.0
O D:ASP216 5.0 23.4 1.0

Potassium binding site 4 out of 4 in 8cfc

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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 A01


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 A01 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K505

b:19.7
occ:0.97
O D:THR380 2.7 20.1 1.0
O D:HIS382 2.7 20.5 1.0
O D:HOH790 2.8 20.5 1.0
OG1 D:THR380 2.8 22.0 1.0
O D:HOH820 2.9 18.1 1.0
O C:HOH751 3.2 19.1 1.0
OE1 D:GLN65 3.3 22.9 1.0
NE2 D:GLN65 3.5 19.6 1.0
CB D:THR380 3.5 19.8 1.0
CD D:GLN65 3.5 24.0 1.0
C D:THR380 3.6 21.8 1.0
C D:HIS382 3.6 19.5 1.0
O D:GLY381 3.8 19.8 1.0
CA D:PRO383 4.0 19.7 1.0
N6 D:ADE502 4.0 22.1 1.0
C D:GLY381 4.1 18.3 1.0
CA D:THR380 4.2 17.7 1.0
N D:PRO383 4.2 18.6 1.0
CB C:ASP216 4.3 19.0 1.0
N D:HIS382 4.5 18.5 1.0
O D:HOH949 4.5 25.2 1.0
N D:GLY381 4.5 19.5 1.0
CG C:ASP216 4.6 24.2 1.0
CG D:GLN65 4.7 20.7 1.0
CA D:HIS382 4.7 19.6 1.0
OD1 C:ASP216 4.7 22.3 1.0
CA D:GLY381 4.7 19.9 1.0
C D:PRO383 4.7 21.0 1.0
CG2 D:THR380 4.8 21.6 1.0
OE1 D:GLN91 4.8 24.0 1.0
N D:SER384 4.9 20.3 1.0
O C:ASP216 5.0 19.8 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 A01 To Be Published.
Page generated: Sat Aug 9 15:54:27 2025

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