Atomistry » Chlorine » PDB 9f46-9feu » 9fdj
Atomistry »
  Chlorine »
    PDB 9f46-9feu »
      9fdj »

Chlorine in PDB 9fdj: Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak)

Protein crystallography data

The structure of Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak), PDB code: 9fdj was solved by D.Wohlwend, T.Friedrich, S.Goeppert-Asadollahpour, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.93 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.241, 116.156, 189.026, 90, 90, 90
R / Rfree (%) 15.8 / 18.4

Other elements in 9fdj:

The structure of Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) also contains other interesting chemical elements:

Sodium (Na) 8 atoms
Iron (Fe) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) (pdb code 9fdj). 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 the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak), PDB code: 9fdj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9fdj

Go back to Chlorine Binding Sites List in 9fdj
Chlorine binding site 1 out of 4 in the Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak)


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 the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:68.0
occ:1.00
O A:HOH380 3.2 43.1 1.0
N A:LEU60 3.3 42.4 1.0
CA A:PRO59 3.7 44.0 1.0
C A:PRO59 4.0 42.3 1.0
CB A:PRO59 4.0 45.2 1.0
CB A:LEU60 4.2 44.7 1.0
CA A:LEU60 4.3 42.7 1.0
N A:PRO59 4.9 42.6 1.0
O A:LEU58 5.0 39.9 1.0

Chlorine binding site 2 out of 4 in 9fdj

Go back to Chlorine Binding Sites List in 9fdj
Chlorine binding site 2 out of 4 in the Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak)


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 the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:59.2
occ:1.00
O B:HOH817 2.8 35.9 1.0
ND2 B:ASN48 3.3 40.8 1.0
CA B:LYS45 3.9 28.6 1.0
CB B:ASN48 4.0 35.4 1.0
CG B:ASN48 4.1 38.5 1.0
CG B:LYS45 4.1 30.5 1.0
CB B:LYS45 4.3 29.4 1.0
O B:LYS45 4.4 29.6 1.0
C B:LYS45 4.7 27.4 1.0
N B:LYS45 4.8 28.4 1.0
O B:GLU44 4.9 27.8 1.0

Chlorine binding site 3 out of 4 in 9fdj

Go back to Chlorine Binding Sites List in 9fdj
Chlorine binding site 3 out of 4 in the Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak)


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 the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:66.5
occ:1.00
CE1 C:HIS92 3.8 29.7 1.0
ND2 C:ASN97 3.9 40.1 1.0
OH D:TYR368 4.2 42.9 1.0
NE2 C:HIS92 4.4 29.2 1.0
CE2 D:TYR368 4.4 39.9 1.0
O D:HOH909 4.5 50.1 1.0
OE2 D:GLU333 4.6 39.2 1.0
CZ D:TYR368 4.8 39.8 1.0
ND1 C:HIS92 4.9 28.7 1.0

Chlorine binding site 4 out of 4 in 9fdj

Go back to Chlorine Binding Sites List in 9fdj
Chlorine binding site 4 out of 4 in the Crystal Structure of the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak)


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 the Nuoef Variant R66G (Nuof) From Aquifex Aeolicus Bound to Nadh Under Anoxic Conditions (Short Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl205

b:68.3
occ:1.00
O C:HOH385 3.2 40.2 1.0
N C:LEU60 3.4 43.1 1.0
CA C:PRO59 3.8 44.9 1.0
O C:HOH329 4.0 43.8 1.0
C C:PRO59 4.1 41.8 1.0
CB C:LEU60 4.1 45.6 1.0
CB C:PRO59 4.2 45.2 1.0
CA C:LEU60 4.4 43.3 1.0

Reference:

S.Goppert-Asadollahpour, D.Wohlwend, T.Friedrich. Structural Robustness of the Nadh Binding Site in Nadh:Ubiquinone Oxidoreductase (Complex I). Biochim Biophys Acta V.1865 49491 2024BIOENERG.
ISSN: ISSN 1879-2650
PubMed: 38960077
DOI: 10.1016/J.BBABIO.2024.149491
Page generated: Sun Jul 13 16:44:06 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy