Chlorine in PDB 7aau: Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+

Enzymatic activity of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+

All present enzymatic activity of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+:
1.1.1.284;

Protein crystallography data

The structure of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+, PDB code: 7aau was solved by S.Fermani, M.Zaffagnini, G.Falini, S.D.Lemaire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.57 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.754, 142.723, 206.587, 90, 90, 90
R / Rfree (%) 17.8 / 22.6

Other elements in 7aau:

The structure of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ also contains other interesting chemical elements:

Zinc (Zn) 12 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ (pdb code 7aau). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+, PDB code: 7aau:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7aau

Go back to Chlorine Binding Sites List in 7aau
Chlorine binding site 1 out of 4 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl406

b:61.7
occ:1.00
 O C:HOH749 3.0 46.6 1.0
NZ C:LYS192 3.6 37.1 1.0
O C:PHE188 3.8 24.6 1.0
OD1 C:ASN189 3.9 26.7 1.0
O C:HOH751 4.1 42.5 1.0
O C:HOH699 4.2 41.2 1.0
CD C:LYS192 4.2 29.7 1.0
CA C:ASN189 4.3 22.0 1.0
CE C:LYS192 4.4 40.4 1.0
O C:HOH584 4.4 32.4 1.0
CG C:LYS192 4.5 26.5 1.0
O C:HOH576 4.5 28.0 1.0
C C:PHE188 4.7 20.9 1.0
O C:ASN189 4.7 28.7 1.0
CG C:ASN189 4.8 24.1 1.0
CB C:ASN189 5.0 23.7 1.0

Chlorine binding site 2 out of 4 in 7aau

Go back to Chlorine Binding Sites List in 7aau
Chlorine binding site 2 out of 4 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl407

b:40.9
occ:1.00
 NH1 C:ARG222 3.2 25.6 1.0
O C:HOH613 3.4 36.7 1.0
CG2 C:THR262 3.5 19.9 1.0
O C:HOH541 3.6 24.8 1.0
CB C:THR262 3.6 25.3 1.0
CG2 C:THR198 3.7 24.4 1.0
CA C:THR262 3.7 22.1 1.0
CD C:ARG222 3.9 23.8 1.0
O C:THR262 4.2 22.2 1.0
CZ C:ARG222 4.3 24.3 1.0
O C:HOH623 4.4 31.9 1.0
C C:THR262 4.4 23.2 1.0
CB C:THR198 4.5 23.6 1.0
O C:MET261 4.5 23.0 1.0
NE C:ARG222 4.6 23.4 1.0
OG1 C:THR198 4.8 24.5 1.0
N C:THR262 4.9 17.3 1.0

Chlorine binding site 3 out of 4 in 7aau

Go back to Chlorine Binding Sites List in 7aau
Chlorine binding site 3 out of 4 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl406

b:52.1
occ:1.00
 O A:HOH670 3.2 26.6 1.0
O F:HOH715 3.5 41.2 1.0
N F:GLY302 3.5 44.8 1.0
CD A:ARG308 3.6 34.3 1.0
NH1 A:ARG308 4.0 48.2 1.0
CA F:ALA301 4.1 40.5 1.0
O F:HOH534 4.2 29.7 1.0
C F:ALA301 4.3 45.7 1.0
CB A:ARG308 4.3 28.8 1.0
NE A:ARG308 4.3 46.9 1.0
CG A:ARG308 4.3 33.9 1.0
CA F:GLY302 4.3 39.6 1.0
CB A:PHE310 4.4 22.8 1.0
O A:HOH626 4.4 37.3 1.0
CB F:ALA301 4.5 41.0 1.0
CZ A:ARG308 4.5 49.6 1.0

Chlorine binding site 4 out of 4 in 7aau

Go back to Chlorine Binding Sites List in 7aau
Chlorine binding site 4 out of 4 in the Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii in Complex with Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl407

b:51.2
occ:1.00
 O F:HOH559 2.3 33.4 1.0
O F:HOH643 2.3 37.6 1.0
NH1 F:ARG217 3.0 35.7 1.0
CD F:ARG217 3.7 32.3 1.0
CE2 F:PHE188 3.8 22.1 1.0
CZ F:ARG217 3.8 39.3 1.0
CD2 F:TRP184 4.0 21.7 1.0
CE2 F:TRP184 4.0 27.4 1.0
OD2 F:ASP338 4.0 41.6 1.0
NE F:ARG217 4.1 37.6 1.0
O D:HOH507 4.1 25.5 1.0
CE3 F:TRP184 4.3 22.7 1.0
CZ F:PHE188 4.3 23.5 1.0
CZ2 F:TRP184 4.3 24.4 1.0
CG F:TRP184 4.4 22.9 1.0
NE1 F:TRP184 4.4 23.5 1.0
CG2 F:THR344 4.4 20.3 1.0
CZ3 F:TRP184 4.5 23.0 1.0
CH2 F:TRP184 4.6 24.5 1.0
CD1 F:TRP184 4.6 22.7 1.0
OE2 F:GLU213 4.6 25.9 1.0
O F:HOH527 4.8 29.4 1.0
NH2 F:ARG217 4.8 36.9 1.0
CD2 F:PHE188 4.9 23.6 1.0
CB F:THR344 4.9 22.4 1.0

Reference:

A.Tagliani, J.Rossi, C.H.Marchand, M.De Mia, D.Tedesco, L.Gurrieri, M.Meloni, G.Falini, P.Trost, S.D.Lemaire, S.Fermani, M.Zaffagnini. Structural and Functional Insights Into Nitrosoglutathione Reductase From Chlamydomonas Reinhardtii. Redox Biol V. 38 01806 2020.
ISSN: ISSN 2213-2317
PubMed: 33316743
DOI: 10.1016/J.REDOX.2020.101806
Page generated: Sun Jan 24 11:06:00 2021

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