Chlorine in PDB 7q07: Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate

Enzymatic activity of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate

All present enzymatic activity of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate:
1.1.1.86;

Protein crystallography data

The structure of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate, PDB code: 7q07 was solved by O.N.Lemaire, M.Mueller, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.37 / 2.20
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 130.827, 130.827, 130.827, 90, 90, 90
R / Rfree (%) 18.6 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate (pdb code 7q07). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate, PDB code: 7q07:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7q07

Go back to Chlorine Binding Sites List in 7q07
Chlorine binding site 1 out of 3 in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:49.1
occ:1.00
 OE2 A:GLU142 3.5 50.3 1.0
NH2 A:ARG30 3.5 33.8 1.0
NE A:ARG138 3.7 45.0 1.0
NH2 A:ARG138 3.8 42.0 1.0
NH1 A:ARG30 3.9 40.4 1.0
CZ A:ARG30 4.1 42.1 1.0
CZ A:ARG138 4.2 41.6 1.0
CD1 A:LEU34 4.5 40.7 1.0
CD A:GLU142 4.6 54.7 1.0
CG A:ARG138 4.6 43.5 1.0
CD A:ARG138 4.7 44.9 1.0
O A:HOH805 4.8 35.0 1.0

Chlorine binding site 2 out of 3 in 7q07

Go back to Chlorine Binding Sites List in 7q07
Chlorine binding site 2 out of 3 in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:29.2
occ:1.00
 NZ A:LYS299 3.2 18.9 1.0
NH1 A:ARG306 3.5 10.5 1.0
NH2 A:ARG306 3.8 10.4 1.0
CZ A:ARG306 4.1 15.4 1.0
CE A:LYS299 4.6 16.9 1.0

Chlorine binding site 3 out of 3 in 7q07

Go back to Chlorine Binding Sites List in 7q07
Chlorine binding site 3 out of 3 in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Open State with Nadp and Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:58.5
occ:1.00
 NE A:ARG276 3.7 19.4 1.0
NH2 A:ARG276 3.7 22.6 1.0
CZ A:ARG276 4.2 23.4 1.0
CD A:ARG276 4.8 23.2 1.0
CG A:GLN273 4.9 40.2 1.0
NE2 A:GLN273 4.9 53.2 1.0
CB A:GLN273 5.0 40.2 1.0

Reference:

O.N.Lemaire, M.C.Muller, J.Kahnt, T.Wagner. Structural Rearrangements of A Dodecameric Ketol-Acid Reductoisomerase Isolated From A Marine Thermophilic Methanogen. Biomolecules V. 11 2021.
ISSN: ESSN 2218-273X
PubMed: 34827677
DOI: 10.3390/BIOM11111679
Page generated: Tue Jul 30 02:54:58 2024

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