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Potassium in PDB 6esq: Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa

Enzymatic activity of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa

All present enzymatic activity of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa:
2.3.1.9; 2.3.3.10;

Protein crystallography data

The structure of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa, PDB code: 6esq was solved by B.Voegeli, S.Engilberge, E.Girard, F.Riobe, O.Maury, J.T.Erb, S.Shima, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.29 / 2.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 107.603, 145.176, 230.891, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23

Other elements in 6esq:

The structure of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa (pdb code 6esq). 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 the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa, PDB code: 6esq:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 6esq

Go back to Potassium Binding Sites List in 6esq
Potassium binding site 1 out of 4 in the Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K402

b:0.3
occ:1.00
 OD1 B:ASP36 2.3 92.3 1.0
CG B:ASP36 3.1 84.5 1.0
OD2 B:ASP36 3.4 95.9 1.0
HZ1 B:LYS354 3.5 0.8 1.0
OD2 B:ASP356 3.5 88.6 1.0
HZ2 B:LYS354 3.6 0.7 1.0
NZ B:LYS354 4.0 0.4 1.0
HA B:ASP36 4.1 68.5 1.0
HH B:TYR350 4.2 77.7 1.0
CB B:ASP36 4.3 64.6 1.0
HE3 B:LYS354 4.3 93.4 1.0
HB2 B:ASP36 4.4 64.4 1.0
HE2 B:TYR350 4.4 66.2 1.0
CG B:ASP356 4.6 86.8 1.0
OE1 B:GLU232 4.6 0.6 1.0
CA B:ASP36 4.7 65.0 1.0
CE B:LYS354 4.7 92.8 1.0
HE1 B:TRP351 4.7 68.6 1.0
OD1 B:ASP356 4.8 89.6 1.0
HZ3 B:LYS354 4.8 0.8 1.0
O B:ASP36 4.8 66.7 1.0
HD3 B:LYS354 4.8 79.8 1.0
OH B:TYR350 5.0 79.6 1.0

Potassium binding site 2 out of 4 in 6esq

Go back to Potassium Binding Sites List in 6esq
Potassium binding site 2 out of 4 in the Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K403

b:0.8
occ:1.00
 OD2 B:ASP3 3.3 0.7 1.0
O B:ARG392 3.5 92.6 1.0
HG2 B:ARG392 3.8 92.3 1.0
OD1 B:ASP3 3.9 0.7 1.0
CG B:ASP3 3.9 99.7 1.0
HE B:ARG392 4.4 75.4 1.0
HZ3 B:LYS237 4.4 0.2 1.0
C B:ARG392 4.6 98.8 1.0
CG B:ARG392 4.8 90.3 1.0

Potassium binding site 3 out of 4 in 6esq

Go back to Potassium Binding Sites List in 6esq
Potassium binding site 3 out of 4 in the Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
I:K401

b:99.5
occ:1.00
 OE2 K:GLU111 2.3 0.3 1.0
OE2 I:GLU111 2.4 0.2 1.0
CD K:GLU111 3.1 0.4 1.0
CD I:GLU111 3.3 0.0 1.0
OE1 K:GLU111 3.3 70.9 1.0
OE1 I:GLU111 3.4 97.1 1.0
HA I:ALA87 3.8 73.3 1.0
HA K:ALA87 4.0 77.8 1.0
OE1 K:GLU193 4.3 0.5 1.0
HB1 I:ALA87 4.4 75.1 1.0
OE1 I:GLU193 4.4 0.9 1.0
O I:ALA87 4.4 83.5 1.0
CG K:GLU111 4.5 80.1 1.0
O K:ALA87 4.6 80.5 1.0
CG I:GLU111 4.7 79.5 1.0
OE2 K:GLU193 4.7 0.1 1.0
CA I:ALA87 4.7 72.5 1.0
HB1 K:ALA87 4.8 81.3 1.0
HG2 K:GLU111 4.8 79.4 1.0
HG3 I:GLU111 4.9 79.7 1.0
HG3 K:GLU111 4.9 79.6 1.0
HD2 K:HIS84 4.9 59.6 1.0
OE2 I:GLU193 5.0 0.2 1.0
CA K:ALA87 5.0 78.3 1.0
CD K:GLU193 5.0 0.3 1.0
HD2 I:HIS84 5.0 62.7 1.0
HG2 I:GLU111 5.0 78.2 1.0

Potassium binding site 4 out of 4 in 6esq

Go back to Potassium Binding Sites List in 6esq
Potassium binding site 4 out of 4 in the Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of the Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex From Methanothermococcus Thermolithotrophicus Soaked with Acetyl-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K401

b:0.3
occ:1.00
 OE2 J:GLU111 2.4 0.1 1.0
OE2 L:GLU111 2.6 0.6 1.0
OE1 L:GLU111 3.1 0.6 1.0
CD L:GLU111 3.2 0.1 1.0
CD J:GLU111 3.4 0.7 1.0
HA J:ALA87 3.5 99.8 1.0
OE1 J:GLU111 3.7 0.9 1.0
OE2 L:GLU193 3.8 0.2 1.0
HA L:ALA87 4.3 95.2 1.0
HB1 J:ALA87 4.4 0.6 1.0
CA J:ALA87 4.5 0.1 1.0
OE1 L:GLU193 4.6 0.8 1.0
O J:ALA87 4.6 0.5 1.0
CD L:GLU193 4.6 0.7 1.0
HB1 L:ALA87 4.6 95.0 1.0
OE1 J:GLU193 4.6 0.3 1.0
CG L:GLU111 4.7 0.7 1.0
O L:ALA87 4.7 0.3 1.0
HD2 J:HIS84 4.7 95.1 1.0
CG J:GLU111 4.7 0.9 1.0
CB J:ALA87 4.8 0.1 1.0
HB2 J:ALA87 4.9 0.8 1.0
HB2 J:HIS84 4.9 84.1 1.0
HG3 J:GLU111 4.9 0.3 1.0
HG3 L:GLU111 4.9 0.5 1.0
HG2 J:GLU111 4.9 0.5 1.0

Reference:

B.Vogeli, S.Engilberge, E.Girard, F.Riobe, O.Maury, T.J.Erb, S.Shima, T.Wagner. Archaeal Acetoacetyl-Coa Thiolase/Hmg-Coa Synthase Complex Channels the Intermediate Via A Fused Coa-Binding Site. Proc. Natl. Acad. Sci. V. 115 3380 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29531083
DOI: 10.1073/PNAS.1718649115
Page generated: Mon Aug 12 16:01:37 2024

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