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Potassium in PDB 5a71: Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native

Enzymatic activity of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native

All present enzymatic activity of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native:
3.1.1.3;

Protein crystallography data

The structure of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native, PDB code: 5a71 was solved by B.Stauch, S.J.Fisher, M.Cianci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.04 / 0.91
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.670, 48.940, 71.610, 88.74, 97.15, 108.44
R / Rfree (%) 11.2 / 13.2

Other elements in 5a71:

The structure of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native also contains other interesting chemical elements:

Sodium (Na) 5 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native (pdb code 5a71). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native, PDB code: 5a71:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 5a71

Go back to Potassium Binding Sites List in 5a71
Potassium binding site 1 out of 4 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1320

b:40.3
occ:1.00
 OD1 A:ASP252 2.8 12.8 1.0
O A:HOH2230 3.1 28.4 1.0
OD2 A:ASP252 3.5 12.8 1.0
CG A:ASP252 3.5 11.8 1.0
CD A:ARG249 3.7 23.1 1.0
NE A:ARG249 4.0 28.8 1.0
O A:HOH2424 4.2 13.9 1.0
O A:HOH2427 4.5 19.0 1.0
CG A:ARG249 4.7 16.8 1.0
CB A:ARG249 4.8 14.2 1.0
CZ A:ARG249 5.0 28.1 1.0

Potassium binding site 2 out of 4 in 5a71

Go back to Potassium Binding Sites List in 5a71
Potassium binding site 2 out of 4 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1321

b:58.6
occ:1.00
 O A:HOH2099 2.4 31.3 1.0
O A:HOH2100 2.5 40.6 1.0
O A:HOH2106 2.6 29.1 1.0
O A:SER29 3.2 18.6 1.0
OG A:SER29 3.3 26.7 1.0
C A:SER29 3.7 18.5 1.0
CB A:SER29 4.1 21.2 1.0
N A:VAL30 4.2 17.0 1.0
O A:HOH2092 4.3 29.1 1.0
CA A:VAL30 4.4 15.2 1.0
CA A:SER29 4.5 20.6 1.0
O A:HOH2107 4.6 30.0 1.0
O A:HOH2090 4.7 24.4 1.0
O A:HOH2105 4.8 30.9 1.0
C A:VAL30 4.8 15.6 1.0
N A:SER31 4.9 14.7 1.0

Potassium binding site 3 out of 4 in 5a71

Go back to Potassium Binding Sites List in 5a71
Potassium binding site 3 out of 4 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1322

b:52.5
occ:1.00
 O A:HOH2062 2.6 37.8 1.0
O A:LEU20 2.7 12.6 1.0
O A:ASP17 2.9 14.5 1.0
O A:HOH2061 3.0 21.6 1.0
O A:HOH2029 3.7 32.2 1.0
O A:HOH2070 3.8 71.8 1.0
C A:ASP17 3.9 13.3 1.0
C A:LEU20 3.9 10.6 1.0
CG A:PRO27 4.5 19.1 1.0
CD A:PRO27 4.6 17.6 1.0
CA A:ALA18 4.6 13.8 1.0
CA A:LEU20 4.7 9.3 1.0
CB A:LEU20 4.7 11.0 1.0
N A:LEU20 4.7 10.0 1.0
N A:ALA18 4.7 12.0 1.0
CA A:ASP17 4.8 12.3 1.0
O A:HOH2063 4.9 32.2 1.0
C A:ALA18 4.9 12.1 1.0
CB A:ASP17 4.9 13.4 1.0
N A:THR21 4.9 9.7 1.0
O A:ALA18 5.0 14.0 1.0

Potassium binding site 4 out of 4 in 5a71

Go back to Potassium Binding Sites List in 5a71
Potassium binding site 4 out of 4 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Atomic Resolution Native within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1321

b:56.6
occ:1.00
 O B:HOH2376 2.5 37.0 1.0
O B:HOH2298 2.7 45.5 1.0
O B:ASN206 3.0 8.6 1.0
OE1 B:GLN247 3.6 13.3 1.0
O B:HOH2333 3.8 30.7 1.0
C B:ASN206 3.8 7.2 1.0
NE2 B:GLN247 3.9 9.7 1.0
O B:HOH2332 3.9 19.0 1.0
CD B:GLN247 4.2 8.7 1.0
O B:GLY207 4.2 7.4 1.0
O B:HOH2203 4.3 51.9 1.0
CA B:ASN206 4.4 7.8 1.0
C B:GLY207 4.5 6.3 1.0
N B:GLY207 4.8 6.7 1.0
CB B:ASN206 4.8 8.8 1.0
O B:HOH2377 4.9 45.4 1.0

Reference:

B.Stauch, S.J.Fisher, M.Cianci. Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation. J.Lipid Res. V. 56 2348 2015.
ISSN: ISSN 0022-2275
PubMed: 26447231
DOI: 10.1194/JLR.M063388
Page generated: Mon Aug 12 12:51:58 2024

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