Atomistry » Potassium » PDB 5ksd-5mq0 » 5li3
Atomistry »
  Potassium »
    PDB 5ksd-5mq0 »
      5li3 »

Potassium in PDB 5li3: Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor.

Protein crystallography data

The structure of Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor., PDB code: 5li3 was solved by A.Kraemer, F.J.Meyer-Almes, O.Yildiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.00 / 2.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.190, 82.190, 217.030, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 27

Other elements in 5li3:

The structure of Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. (pdb code 5li3). 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 Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor., PDB code: 5li3:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 5li3

Go back to Potassium Binding Sites List in 5li3
Potassium binding site 1 out of 4 in the Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor.


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 Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K402

b:33.5
occ:1.00
 O A:HIS183 2.6 25.5 1.0
O A:LEU203 2.6 27.6 1.0
O A:ASP181 2.6 27.0 1.0
OD1 A:ASP179 2.7 35.6 1.0
OG A:SER202 3.0 26.9 1.0
O A:ASP179 3.1 27.2 1.0
CG A:ASP179 3.4 34.1 1.0
C A:HIS183 3.6 27.9 1.0
C A:LEU203 3.6 28.5 1.0
C A:ASP181 3.7 26.6 1.0
C A:ASP179 3.8 28.1 1.0
CB A:SER202 4.0 28.3 1.0
N A:LEU203 4.0 29.1 1.0
CB A:ASP179 4.1 31.4 1.0
CB A:HIS204 4.1 28.2 1.0
N A:GLY185 4.1 33.7 1.0
OD2 A:ASP179 4.1 38.0 1.0
N A:ASP181 4.1 27.5 1.0
CA A:HIS184 4.2 30.6 1.0
CA A:SER202 4.2 28.7 1.0
N A:HIS183 4.3 28.6 1.0
N A:HIS184 4.3 29.0 1.0
CA A:ASP181 4.3 27.2 1.0
N A:TRP180 4.4 27.9 1.0
N A:HIS204 4.4 29.0 1.0
C A:SER202 4.4 29.0 1.0
C A:TRP180 4.4 27.4 1.0
CA A:HIS204 4.4 27.8 1.0
CA A:TRP180 4.5 27.9 1.0
CB A:ASP181 4.5 29.1 1.0
O A:HOH517 4.5 22.6 1.0
CA A:LEU203 4.5 29.3 1.0
CA A:ASP179 4.5 29.4 1.0
C A:HIS184 4.5 32.5 1.0
C A:VAL182 4.5 27.6 1.0
ND1 A:HIS204 4.6 27.6 1.0
CA A:HIS183 4.6 28.3 1.0
N A:VAL182 4.7 27.1 1.0
CE1 A:HIS143 4.8 32.4 1.0
CG A:HIS204 4.8 28.4 1.0
OD1 A:ASP181 4.9 32.5 1.0
ND1 A:HIS143 4.9 32.4 1.0
CA A:VAL182 4.9 27.6 1.0
CA A:GLY185 5.0 34.3 1.0
O A:VAL182 5.0 27.6 1.0

Potassium binding site 2 out of 4 in 5li3

Go back to Potassium Binding Sites List in 5li3
Potassium binding site 2 out of 4 in the Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor.


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 Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:37.0
occ:1.00
 O A:TYR192 2.5 33.2 1.0
O A:PHE227 2.7 31.2 1.0
O A:HOH527 2.7 32.4 1.0
O A:VAL198 2.7 38.1 1.0
O A:HOH503 2.9 31.8 1.0
O A:ARG195 3.0 35.3 1.0
C A:TYR192 3.6 34.7 1.0
C A:PHE227 3.6 34.0 1.0
OG A:SER200 3.7 38.6 1.0
C A:VAL198 3.9 35.1 1.0
CB A:TYR192 4.0 35.0 1.0
CB A:PHE227 4.0 33.9 1.0
C A:ARG195 4.2 36.0 1.0
N A:SER200 4.3 31.9 1.0
CA A:PHE227 4.4 34.6 1.0
CA A:TYR192 4.4 33.6 1.0
N A:ASN228 4.5 33.5 1.0
N A:TYR193 4.5 33.9 1.0
CA A:TYR193 4.5 35.8 1.0
O A:TYR193 4.5 37.4 1.0
C A:TYR193 4.6 37.1 1.0
N A:ARG195 4.6 39.1 1.0
CB A:ASN228 4.6 33.1 1.0
CB A:SER200 4.7 34.5 1.0
CA A:LEU199 4.7 31.6 1.0
N A:LEU199 4.8 35.0 1.0
CA A:ASN228 4.8 33.9 1.0
CA A:ARG195 4.8 37.4 1.0
CB A:ARG195 4.8 38.2 1.0
O A:GLY224 4.8 39.6 1.0
CA A:VAL198 4.9 36.1 1.0
C A:LEU199 4.9 32.5 1.0
CB A:VAL198 5.0 36.6 1.0
CA A:GLY224 5.0 43.1 1.0

Potassium binding site 3 out of 4 in 5li3

Go back to Potassium Binding Sites List in 5li3
Potassium binding site 3 out of 4 in the Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor.


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 Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K402

b:44.2
occ:1.00
 O B:LEU203 2.5 42.3 1.0
O B:ASP181 2.6 39.1 1.0
OD1 B:ASP179 2.6 47.4 1.0
O B:HIS183 2.7 35.2 1.0
OG B:SER202 3.0 44.1 1.0
O B:ASP179 3.0 46.6 1.0
CG B:ASP179 3.4 48.3 1.0
C B:LEU203 3.6 45.2 1.0
C B:ASP179 3.7 46.5 1.0
C B:ASP181 3.7 38.8 1.0
C B:HIS183 3.7 39.4 1.0
N B:LEU203 4.0 48.6 1.0
CB B:SER202 4.0 45.6 1.0
CB B:ASP179 4.0 47.1 1.0
N B:ASP181 4.1 36.3 1.0
CB B:HIS204 4.1 46.9 1.0
OD2 B:ASP179 4.2 48.2 1.0
N B:GLY185 4.2 43.6 1.0
CA B:SER202 4.2 48.8 1.0
N B:TRP180 4.3 44.8 1.0
C B:TRP180 4.3 39.5 1.0
CA B:ASP181 4.3 37.2 1.0
C B:SER202 4.3 48.2 1.0
CA B:HIS184 4.3 42.2 1.0
CA B:TRP180 4.4 41.2 1.0
N B:HIS204 4.4 46.6 1.0
CA B:LEU203 4.4 47.0 1.0
N B:HIS183 4.4 36.6 1.0
CA B:HIS204 4.4 46.1 1.0
CA B:ASP179 4.4 47.8 1.0
N B:HIS184 4.4 40.1 1.0
CB B:ASP181 4.5 36.7 1.0
O B:HOH505 4.5 40.6 1.0
C B:VAL182 4.6 37.0 1.0
ND1 B:HIS204 4.6 54.0 1.0
C B:HIS184 4.6 41.9 1.0
N B:VAL182 4.7 39.9 1.0
CA B:HIS183 4.7 39.1 1.0
CG B:HIS204 4.8 52.4 1.0
CE1 B:HIS143 4.9 45.9 1.0
CA B:VAL182 5.0 38.6 1.0
OD1 B:ASP181 5.0 38.0 1.0
O B:TRP180 5.0 42.4 1.0

Potassium binding site 4 out of 4 in 5li3

Go back to Potassium Binding Sites List in 5li3
Potassium binding site 4 out of 4 in the Crystal Structure of Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor.


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 Hdac-Like Protein From P. Aeruginosa in Complex with A Photo-Switchable Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K403

b:49.0
occ:1.00
 O B:HOH538 2.5 42.6 1.0
O B:PHE227 2.6 54.3 1.0
O B:TYR192 2.6 42.6 1.0
O B:VAL198 2.7 50.9 1.0
O B:HOH553 3.0 39.3 1.0
O B:ARG195 3.1 56.1 1.0
C B:PHE227 3.5 55.0 1.0
C B:TYR192 3.7 51.9 1.0
C B:VAL198 3.9 50.8 1.0
CB B:PHE227 3.9 60.4 1.0
CB B:TYR192 4.0 60.9 1.0
N B:SER200 4.2 50.4 1.0
C B:ARG195 4.2 55.1 1.0
CA B:PHE227 4.3 57.2 1.0
N B:ASN228 4.4 52.4 1.0
CB B:SER200 4.4 49.8 1.0
CA B:TYR192 4.5 55.5 1.0
CB B:ASN228 4.5 49.6 1.0
O B:TYR193 4.6 51.3 1.0
N B:TYR193 4.6 53.7 1.0
CA B:TYR193 4.6 53.4 1.0
CA B:LEU199 4.6 48.3 1.0
CA B:ASN228 4.6 51.2 1.0
N B:LEU199 4.7 48.4 1.0
C B:TYR193 4.7 53.8 1.0
N B:ARG195 4.7 55.9 1.0
O B:GLY224 4.8 55.7 1.0
C B:LEU199 4.8 50.1 1.0
CA B:ARG195 4.9 55.8 1.0
CA B:VAL198 4.9 53.8 1.0
CB B:ARG195 4.9 58.1 1.0
CB B:VAL198 5.0 53.0 1.0
CA B:SER200 5.0 51.5 1.0
CA B:GLY224 5.0 57.3 1.0

Reference:

C.E.Weston, A.Kramer, F.Colin, O.Yildiz, M.G.Baud, F.J.Meyer-Almes, M.J.Fuchter. Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. Acs Infect Dis V. 3 152 2017.
ISSN: ESSN 2373-8227
PubMed: 27756124
DOI: 10.1021/ACSINFECDIS.6B00148
Page generated: Mon Aug 12 14:13:15 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy