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Chlorine in PDB 9g7i: Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum

Enzymatic activity of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum

All present enzymatic activity of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum:
1.2.7.4; 2.3.1.169;

Protein crystallography data

The structure of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum, PDB code: 9g7i was solved by O.N.Lemaire, M.D.Yin, B.J.Murphy, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.68 / 2.93
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 298.077, 298.077, 127.526, 90, 90, 90
R / Rfree (%) 19 / 22

Other elements in 9g7i:

The structure of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum also contains other interesting chemical elements:

Iron (Fe) 28 atoms
Nickel (Ni) 6 atoms
Calcium (Ca) 10 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum (pdb code 9g7i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum, PDB code: 9g7i:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 1 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl813

b:94.5
occ:1.00
 NH1 A:ARG286 3.1 55.0 1.0
O A:ALA285 3.7 51.4 1.0
CG A:PRO255 3.7 55.3 1.0
CD A:ARG286 3.7 55.2 1.0
CD A:PRO255 3.9 58.2 1.0
O A:GLY253 3.9 68.5 1.0
CZ A:ARG286 4.2 46.8 1.0
NE A:ARG286 4.4 52.1 1.0
CA A:ARG286 4.5 51.3 1.0
O A:THR267 4.5 65.9 1.0
CB A:PRO255 4.7 50.3 1.0
C A:ALA285 4.7 50.6 1.0
N A:PRO255 4.8 45.3 1.0
C A:GLY253 5.0 53.6 1.0

Chlorine binding site 2 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 2 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl814

b:105.6
occ:1.00
 NH2 A:ARG184 3.1 119.7 1.0
CG A:PRO126 4.1 64.9 1.0
CZ A:ARG184 4.1 116.7 1.0
O A:SER122 4.2 75.0 1.0
NE A:ARG184 4.4 104.5 1.0
OG A:SER122 4.6 77.2 1.0
CB A:PRO126 4.7 53.3 1.0
CD2 A:LEU123 4.9 87.8 1.0
CD A:PRO126 5.0 69.0 1.0

Chlorine binding site 3 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 3 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl709

b:68.1
occ:1.00
 N B:VAL430 3.5 64.1 1.0
NE B:ARG535 3.8 61.5 1.0
CA B:THR429 3.8 60.8 1.0
CG2 B:VAL430 3.9 52.0 1.0
CB B:THR429 3.9 57.6 1.0
NH2 B:ARG535 4.0 70.3 1.0
CG1 B:VAL430 4.2 63.4 1.0
C B:THR429 4.2 59.8 1.0
CZ B:ARG535 4.3 79.2 1.0
CB B:VAL430 4.4 52.3 1.0
CB B:ARG535 4.4 48.9 1.0
CA B:VAL430 4.5 54.0 1.0
O B:ARG535 4.7 55.2 1.0
CG2 B:THR429 4.7 65.6 1.0
CG B:ARG535 4.8 48.9 1.0
CD B:ARG535 4.8 58.7 1.0
CD1 B:LEU539 4.8 67.4 1.0
O B:GLN428 4.8 69.0 1.0

Chlorine binding site 4 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 4 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl710

b:78.6
occ:1.00
 O B:GLY322 3.2 61.8 1.0
ND1 B:HIS346 3.2 53.7 1.0
N B:ASP390 3.7 53.7 1.0
CE1 B:HIS346 4.0 56.4 1.0
CB B:ASP390 4.0 68.8 1.0
O B:ASP390 4.0 85.2 1.0
CA B:GLY322 4.0 47.1 1.0
C B:GLY322 4.0 53.2 1.0
CG B:HIS346 4.1 43.6 1.0
N B:HIS346 4.2 53.5 1.0
CA B:ASP390 4.3 64.5 1.0
CB B:HIS346 4.4 48.7 1.0
CG B:ARG389 4.4 67.5 1.0
C B:ASP390 4.5 75.9 1.0
C B:ARG389 4.7 52.0 1.0
CA B:ARG389 4.7 49.5 1.0
CG2 B:VAL394 4.7 71.5 1.0
CD1 B:TYR345 4.8 43.2 1.0
CB B:TYR345 4.9 45.3 1.0
CA B:HIS346 5.0 53.5 1.0
CA B:TYR345 5.0 53.4 1.0

Chlorine binding site 5 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 5 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl711

b:97.0
occ:1.00
 N B:GLU25 3.5 52.7 1.0
CE B:LYS340 3.9 84.1 1.0
CA B:VAL24 3.9 57.0 1.0
CB B:VAL24 4.0 49.2 1.0
CG B:LYS340 4.2 69.2 1.0
C B:VAL24 4.2 67.7 1.0
CB B:GLU25 4.3 55.9 1.0
CG1 B:VAL24 4.3 55.7 1.0
CA B:LEU341 4.4 52.3 1.0
OG B:SER344 4.4 63.9 1.0
CA B:GLU25 4.4 48.3 1.0
CD1 B:LEU341 4.5 47.3 1.0
N B:LEU341 4.6 54.0 1.0
CD B:LYS340 4.7 64.7 1.0
O B:GLU25 4.7 64.2 1.0
O B:LYS340 4.8 57.5 1.0
C B:LYS340 4.8 49.2 1.0
CB B:LEU341 4.9 45.7 1.0
NZ B:LYS340 5.0 102.9 1.0
O B:GLY23 5.0 71.0 1.0

Chlorine binding site 6 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 6 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl712

b:122.1
occ:1.00
 OH B:TYR489 3.5 60.0 1.0
NZ B:LYS467 3.7 46.4 1.0
CE1 B:TYR489 3.9 55.7 1.0
CZ B:TYR489 4.1 59.4 1.0
OE2 B:GLU464 4.1 91.1 1.0

Chlorine binding site 7 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 7 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl713

b:98.2
occ:1.00
 NZ B:LYS6 3.7 105.6 1.0
CE B:LYS6 3.8 68.8 1.0
CD B:LYS6 4.0 57.2 1.0
CG B:LYS6 4.5 66.9 1.0

Chlorine binding site 8 out of 8 in 9g7i

Go back to Chlorine Binding Sites List in 9g7i
Chlorine binding site 8 out of 8 in the Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase (Codh/Acs) in Complex with Acetyl-Coenyzme A From Clostridium Autoethanogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl708

b:83.6
occ:1.00
 N C:VAL430 3.4 78.3 1.0
CG2 C:VAL430 3.7 69.9 1.0
CA C:THR429 3.9 57.2 1.0
CB C:ARG535 4.0 71.0 1.0
CG1 C:VAL430 4.0 65.8 1.0
CB C:THR429 4.1 65.3 1.0
C C:THR429 4.1 74.5 1.0
NH1 C:ARG535 4.2 57.7 1.0
CB C:VAL430 4.2 70.5 1.0
CG C:ARG535 4.3 56.6 1.0
CA C:VAL430 4.4 64.7 1.0
CD C:ARG535 4.6 71.0 1.0
O C:ARG535 4.7 71.9 1.0
CG2 C:THR429 4.8 70.3 1.0
CA C:ARG535 4.9 60.7 1.0
CD2 C:LEU539 4.9 55.2 1.0
C C:ARG535 5.0 69.5 1.0
CD1 C:LEU539 5.0 67.4 1.0

Reference:

M.D.Yin, O.N.Lemaire, J.G.Rosas Jimenez, M.Belhamri, A.Shevchenko, G.Hummer, T.Wagner, B.J.Murphy. Conformational Dynamics of A Multienzyme Complex in Anaerobic Carbon Fixation. Science V. 387 498 2025.
ISSN: ESSN 1095-9203
PubMed: 39883773
DOI: 10.1126/SCIENCE.ADR9672
Page generated: Tue Feb 25 09:11:48 2025

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