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Potassium in PDB 5g1c: Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395

Enzymatic activity of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395

All present enzymatic activity of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395:
3.5.1.4;

Protein crystallography data

The structure of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395, PDB code: 5g1c 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) 87.55 / 1.81
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 101.099, 101.099, 175.057, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.9

Other elements in 5g1c:

The structure of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 (pdb code 5g1c). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395, PDB code: 5g1c:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 5g1c

Go back to Potassium Binding Sites List in 5g1c
Potassium binding site 1 out of 4 in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K371

b:11.4
occ:1.00
 O A:ASP180 2.6 6.3 1.0
OG A:SER201 2.7 7.8 1.0
O A:HIS182 2.7 6.6 1.0
O A:LEU202 2.8 10.2 1.0
OD1 A:ASP178 2.9 9.2 1.0
O A:ASP178 3.0 7.9 1.0
CG A:ASP178 3.1 9.3 1.0
OD2 A:ASP178 3.3 8.7 1.0
C A:ASP180 3.6 7.0 1.0
C A:ASP178 3.7 8.3 1.0
C A:LEU202 3.8 9.4 1.0
C A:HIS182 3.8 7.8 1.0
CB A:SER201 3.8 8.9 1.0
N A:ASP180 3.9 7.0 1.0
CB A:ASP178 3.9 9.2 1.0
N A:LEU202 3.9 9.3 1.0
N A:GLY184 4.0 8.5 1.0
CB A:HIS203 4.1 8.4 1.0
CA A:SER201 4.1 8.5 1.0
CA A:ASP180 4.2 7.3 1.0
C A:SER201 4.2 9.3 1.0
N A:TRP179 4.3 7.5 1.0
C A:TRP179 4.3 7.3 1.0
CA A:HIS183 4.3 8.5 1.0
CB A:ASP180 4.4 7.3 1.0
CA A:TRP179 4.4 7.8 1.0
ND1 A:HIS142 4.4 10.2 1.0
CE1 A:HIS142 4.4 9.7 1.0
CA A:ASP178 4.4 8.4 1.0
C A:HIS183 4.5 8.3 1.0
N A:HIS183 4.5 8.2 1.0
ND1 A:HIS203 4.5 9.7 1.0
CA A:LEU202 4.5 9.7 1.0
N A:HIS203 4.6 8.2 1.0
CA A:HIS203 4.6 8.1 1.0
N A:HIS182 4.6 7.1 1.0
N A:VAL181 4.7 7.0 1.0
CG A:HIS203 4.8 8.6 1.0
C A:VAL181 4.8 7.0 1.0
CA A:GLY184 4.8 8.2 1.0
CA A:HIS182 4.8 7.7 1.0
O A:HOH2294 4.9 9.8 1.0
OD1 A:ASP180 4.9 6.9 1.0

Potassium binding site 2 out of 4 in 5g1c

Go back to Potassium Binding Sites List in 5g1c
Potassium binding site 2 out of 4 in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K372

b:11.4
occ:1.00
 O A:HOH2309 2.6 11.9 1.0
O A:VAL197 2.7 7.4 1.0
O A:TRP191 2.7 10.5 1.0
O A:TYR226 2.8 10.8 1.0
O A:ASP194 2.9 13.2 1.0
O A:HOH2300 2.9 12.9 1.0
C A:TRP191 3.6 10.7 1.0
CB A:TRP191 3.6 11.5 1.0
C A:TYR226 3.6 11.6 1.0
OG1 A:THR199 3.7 8.9 1.0
C A:VAL197 3.9 9.4 1.0
C A:ASP194 4.0 13.5 1.0
CB A:TYR226 4.0 12.1 1.0
CA A:TRP191 4.2 11.2 1.0
CG2 A:THR199 4.3 9.6 1.0
N A:THR199 4.3 9.5 1.0
N A:ASN227 4.4 11.4 1.0
CA A:TYR226 4.4 11.9 1.0
CB A:THR199 4.5 9.6 1.0
N A:TRP192 4.6 10.6 1.0
CA A:LEU198 4.6 9.5 1.0
N A:ASP194 4.6 12.9 1.0
N A:LEU198 4.7 9.7 1.0
CA A:ASP194 4.7 14.0 1.0
O A:TRP192 4.8 14.0 1.0
CA A:ASN227 4.8 10.7 1.0
CB A:ASN227 4.8 10.6 1.0
C A:LEU198 4.8 9.7 1.0
CA A:TRP192 4.8 12.5 1.0
C A:TRP192 4.9 15.0 1.0
CG A:TRP191 4.9 11.7 1.0
CA A:VAL197 4.9 10.3 1.0
N A:PRO195 4.9 13.5 1.0
O A:GLY223 4.9 13.0 1.0
CB A:ASP194 4.9 14.3 1.0

Potassium binding site 3 out of 4 in 5g1c

Go back to Potassium Binding Sites List in 5g1c
Potassium binding site 3 out of 4 in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K371

b:12.2
occ:1.00
 O B:ASP180 2.6 7.2 1.0
O B:HIS182 2.7 8.9 1.0
OG B:SER201 2.8 8.1 1.0
O B:LEU202 2.8 12.1 1.0
OD1 B:ASP178 2.9 9.0 1.0
O B:ASP178 3.0 10.9 1.0
CG B:ASP178 3.1 9.2 1.0
OD2 B:ASP178 3.3 8.4 1.0
C B:ASP180 3.6 8.8 1.0
C B:ASP178 3.7 9.5 1.0
C B:LEU202 3.8 10.5 1.0
C B:HIS182 3.8 8.4 1.0
CB B:SER201 3.9 8.4 1.0
N B:ASP180 3.9 8.3 1.0
CB B:ASP178 3.9 8.9 1.0
N B:LEU202 3.9 8.9 1.0
N B:GLY184 4.0 8.0 1.0
CA B:SER201 4.1 8.1 1.0
CB B:HIS203 4.1 10.1 1.0
CA B:ASP180 4.2 8.8 1.0
C B:SER201 4.2 8.5 1.0
N B:TRP179 4.3 8.7 1.0
C B:TRP179 4.3 8.2 1.0
CA B:HIS183 4.3 8.3 1.0
CA B:TRP179 4.3 8.7 1.0
CB B:ASP180 4.4 9.0 1.0
CA B:ASP178 4.4 8.8 1.0
ND1 B:HIS142 4.4 10.3 1.0
CE1 B:HIS142 4.4 10.4 1.0
N B:HIS183 4.5 8.8 1.0
C B:HIS183 4.5 8.1 1.0
CA B:LEU202 4.5 10.3 1.0
ND1 B:HIS203 4.5 11.8 1.0
N B:HIS182 4.5 7.8 1.0
N B:HIS203 4.6 10.0 1.0
CA B:HIS203 4.6 9.8 1.0
N B:VAL181 4.7 8.3 1.0
C B:VAL181 4.8 7.7 1.0
CG B:HIS203 4.8 10.0 1.0
O B:HOH2298 4.8 8.6 1.0
CA B:HIS182 4.8 8.6 1.0
CA B:GLY184 4.9 8.4 1.0
OD1 B:ASP180 4.9 8.2 1.0

Potassium binding site 4 out of 4 in 5g1c

Go back to Potassium Binding Sites List in 5g1c
Potassium binding site 4 out of 4 in the Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of Hdac Like Protein From Bordetella Alcaligenes Bound the Photoswitchable Pyrazole Inhibitor CEW395 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K372

b:11.4
occ:1.00
 O B:VAL197 2.7 9.0 1.0
O B:TRP191 2.7 12.7 1.0
O B:HOH2314 2.7 13.0 1.0
O B:ASP194 2.9 15.2 1.0
O B:TYR226 2.9 9.3 1.0
O B:HOH2305 2.9 10.3 1.0
C B:TRP191 3.6 11.8 1.0
CB B:TRP191 3.6 12.4 1.0
C B:TYR226 3.7 10.2 1.0
OG1 B:THR199 3.7 11.8 1.0
C B:VAL197 3.9 9.1 1.0
C B:ASP194 4.0 13.3 1.0
CB B:TYR226 4.0 10.4 1.0
CA B:TRP191 4.2 12.3 1.0
CG2 B:THR199 4.3 9.4 1.0
N B:THR199 4.3 8.4 1.0
N B:ASN227 4.4 10.3 1.0
CA B:TYR226 4.4 9.9 1.0
CB B:THR199 4.5 10.3 1.0
N B:TRP192 4.5 10.8 1.0
N B:ASP194 4.6 13.2 1.0
CA B:LEU198 4.6 9.2 1.0
N B:LEU198 4.7 9.1 1.0
CA B:ASP194 4.7 13.4 1.0
O B:TRP192 4.8 12.0 1.0
CB B:ASN227 4.8 9.7 1.0
CA B:ASN227 4.8 9.6 1.0
CA B:TRP192 4.8 12.7 1.0
C B:LEU198 4.8 9.4 1.0
CG B:TRP191 4.9 13.3 1.0
C B:TRP192 4.9 13.9 1.0
CA B:VAL197 4.9 9.9 1.0
CB B:ASP194 4.9 13.2 1.0
O B:GLY223 4.9 13.2 1.0
N B:PRO195 4.9 13.7 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 13:45:34 2024

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