Chlorine in PDB 2vv6: Bjfixlh in Ferric Form

All present enzymatic activity of Bjfixlh in Ferric Form:
2.7.13.3;

The structure of Bjfixlh in Ferric Form, PDB code: 2vv6 was solved by R.A.Ayers, K.Moffat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.72 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.803, 50.002, 58.999, 73.68, 70.36, 72.33
R / Rfree (%)	18.2 / 21.1

The structure of Bjfixlh in Ferric Form also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Bjfixlh in Ferric Form (pdb code 2vv6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bjfixlh in Ferric Form, PDB code: 2vv6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Bjfixlh in Ferric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bjfixlh in Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1259 b:17.4 occ:1.00 O B:HOH2145 3.1 33.3 1.0 OG A:SER237 3.1 25.7 1.0 O B:HOH2140 3.2 15.2 1.0 N B:GLY244 3.3 23.3 1.0 CA A:GLY219 3.5 19.0 1.0 N A:GLY219 3.6 19.4 1.0 CA B:SER243 3.6 22.7 1.0 C A:ILE218 3.7 19.5 1.0 CB A:SER237 3.7 22.3 1.0 O A:ILE218 3.7 19.6 1.0 CE1 A:HIS235 3.9 22.5 1.0 C B:SER243 4.0 23.0 1.0 O B:GLN242 4.1 22.1 1.0 OG B:SER243 4.1 25.3 1.0 CA A:SER237 4.2 21.3 1.0 CB B:SER243 4.3 22.7 1.0 N A:ILE218 4.4 21.2 1.0 CA B:GLY244 4.4 23.6 1.0 CA A:ILE218 4.6 20.1 1.0 N B:SER243 4.6 22.1 1.0 NE2 A:HIS235 4.6 23.0 1.0 O A:HOH2086 4.6 33.9 1.0 C B:GLN242 4.7 22.8 1.0 C A:GLY217 4.7 20.8 1.0 O A:LEU236 4.7 20.5 1.0 C A:GLY219 4.8 19.1 1.0 O A:GLY217 4.9 21.1 1.0 ND1 A:HIS235 5.0 22.7 1.0

Chlorine binding site 2 out of 4 in the Bjfixlh in Ferric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bjfixlh in Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1261 b:17.1 occ:1.00 OG C:SER237 3.0 18.7 0.5 O D:HOH2137 3.1 30.1 1.0 NA C:NA1265 3.1 35.6 1.0 O D:HOH2132 3.3 16.6 1.0 N D:GLY244 3.4 19.0 1.0 CA C:GLY219 3.5 18.4 1.0 CB C:SER237 3.5 20.7 0.5 CB C:SER237 3.7 20.1 0.5 O C:ILE218 3.7 19.1 1.0 N C:GLY219 3.7 18.7 1.0 CA D:SER243 3.7 18.9 1.0 C C:ILE218 3.8 18.7 1.0 CE1 C:HIS235 3.8 22.6 1.0 O D:GLN242 3.9 18.9 1.0 C D:SER243 4.1 19.3 1.0 CA C:SER237 4.1 20.0 0.5 CA C:SER237 4.1 19.5 0.5 CA D:GLY244 4.4 19.9 1.0 C D:GLN242 4.4 20.0 1.0 N C:ILE218 4.5 19.7 1.0 O C:HOH2083 4.5 31.2 1.0 N D:SER243 4.5 19.1 1.0 OG D:SER243 4.5 20.2 1.0 NE2 C:HIS235 4.6 21.1 1.0 OG C:SER237 4.6 22.4 0.5 CB D:SER243 4.7 19.2 1.0 CA C:ILE218 4.7 19.3 1.0 O C:LEU236 4.7 19.8 1.0 CL C:CL1262 4.8 22.2 1.0 C C:GLY219 4.8 18.9 1.0 C C:GLY217 4.9 19.9 1.0 ND1 C:HIS235 4.9 22.5 1.0

Chlorine binding site 3 out of 4 in the Bjfixlh in Ferric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bjfixlh in Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1262 b:22.2 occ:1.00 NA C:NA1265 2.8 35.6 1.0 NH1 C:ARG254 3.0 34.7 0.7 NE2 C:HIS235 3.5 21.1 1.0 CE1 C:HIS235 3.6 22.6 1.0 CA D:GLY244 3.6 19.9 1.0 CZ C:ARG254 4.1 33.7 0.7 N D:GLY244 4.1 19.0 1.0 CD2 C:HIS235 4.2 21.9 1.0 ND1 C:HIS235 4.3 22.5 1.0 NH2 C:ARG254 4.3 34.8 0.7 CL C:CL1264 4.6 35.2 1.0 CG C:HIS235 4.6 20.5 1.0 CL C:CL1261 4.8 17.1 1.0 C D:GLY244 4.8 20.6 1.0

Chlorine binding site 4 out of 4 in the Bjfixlh in Ferric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bjfixlh in Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1264 b:35.2 occ:1.00 NA C:NA1263 2.2 18.4 1.0 O C:HOH2086 2.9 26.9 1.0 NE2 C:HIS235 3.1 21.1 1.0 O C:GLY219 3.2 19.4 1.0 NA C:NA1265 3.4 35.6 1.0 C C:GLY219 3.5 18.9 1.0 CD2 C:HIS235 3.7 21.9 1.0 N C:ARG220 3.8 19.6 1.0 CA C:ARG220 3.9 20.1 1.0 O C:ILE218 4.2 19.1 1.0 CA C:GLY219 4.2 18.4 1.0 CE1 C:HIS235 4.2 22.6 1.0 O C:HOH2089 4.3 13.5 1.0 C C:ARG220 4.5 19.9 1.0 CL C:CL1262 4.6 22.2 1.0 N C:ILE221 4.7 20.7 1.0

R.A.Ayers, K.Moffat. Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains. Biochemistry V. 47 12078 2008.
ISSN: ISSN 0006-2960
PubMed: 18942854
DOI: 10.1021/BI801254C