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Chlorine in PDB 1xj6: Structure of Bjfixlh in the Unliganded Ferrous Form

Protein crystallography data

The structure of Structure of Bjfixlh in the Unliganded Ferrous Form, PDB code: 1xj6 was solved by J.Key, K.Moffat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.100, 59.915, 59.574, 90.00, 111.51, 90.00
R / Rfree (%) 20.7 / 24.7

Other elements in 1xj6:

The structure of Structure of Bjfixlh in the Unliganded Ferrous Form also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Bjfixlh in the Unliganded Ferrous Form (pdb code 1xj6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Bjfixlh in the Unliganded Ferrous Form, PDB code: 1xj6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1xj6

Go back to Chlorine Binding Sites List in 1xj6
Chlorine binding site 1 out of 2 in the Structure of Bjfixlh in the Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bjfixlh in the Unliganded Ferrous Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:37.7
occ:1.00
OG A:SER237 3.0 36.4 1.0
O A:HOH5013 3.1 45.6 1.0
N B:GLY244 3.3 43.5 1.0
O B:HOH720 3.4 29.7 1.0
CA A:GLY219 3.5 31.3 1.0
O B:HOH727 3.6 51.6 1.0
CA B:SER243 3.6 38.4 1.0
O A:ILE218 3.7 30.9 1.0
CE1 A:HIS235 3.8 33.8 1.0
CB A:SER237 3.8 32.3 1.0
N A:GLY219 3.8 26.3 1.0
C A:ILE218 3.9 24.6 1.0
C B:SER243 4.0 35.4 1.0
O B:GLN242 4.0 39.7 1.0
O A:HOH5039 4.1 55.7 1.0
CA A:SER237 4.2 29.9 1.0
OG B:SER243 4.4 38.2 1.0
CA B:GLY244 4.4 42.3 1.0
NE2 A:HIS235 4.4 35.4 1.0
N B:SER243 4.5 33.8 1.0
C B:GLN242 4.6 36.2 1.0
CB B:SER243 4.6 39.5 1.0
O A:LEU236 4.7 32.0 1.0
N A:ILE218 4.7 38.4 1.0
C A:GLY219 4.8 33.6 1.0
CA A:ILE218 4.8 34.3 1.0
ND1 A:HIS235 4.9 37.1 1.0
C A:GLY217 5.0 41.0 1.0

Chlorine binding site 2 out of 2 in 1xj6

Go back to Chlorine Binding Sites List in 1xj6
Chlorine binding site 2 out of 2 in the Structure of Bjfixlh in the Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Bjfixlh in the Unliganded Ferrous Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5001

b:33.6
occ:0.50
NA A:NA5002 2.6 41.8 0.5
NE2 A:HIS235 3.1 35.4 1.0
O A:HOH5013 3.4 45.6 1.0
CD2 A:HIS235 3.6 35.6 1.0
O A:GLY219 3.7 31.6 1.0
C A:GLY219 3.8 33.6 1.0
N A:ARG220 3.9 32.9 1.0
CA A:ARG220 4.0 28.7 1.0
CE1 A:HIS235 4.3 33.8 1.0
O A:HOH5003 4.4 26.7 1.0
C A:ARG220 4.5 38.7 1.0
CA A:GLY219 4.5 31.3 1.0
O A:ILE218 4.5 30.9 1.0
N A:ILE221 4.7 35.6 1.0
CG A:HIS235 4.9 34.5 1.0
CG1 A:ILE221 4.9 35.9 1.0

Reference:

J.Key, K.Moffat. Crystal Structures of Deoxy and Co-Bound Bjfixlh Reveal Details of Ligand Recognition and Signaling Biochemistry V. 44 4627 2005.
ISSN: ISSN 0006-2960
PubMed: 15779889
DOI: 10.1021/BI047942R
Page generated: Sat Dec 12 08:54:37 2020

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