Chlorine in PDB 2nlv: Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution

The structure of Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution, PDB code: 2nlv was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.10 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.779, 37.354, 63.453, 90.00, 97.22, 90.00
R / Rfree (%)	17.5 / 19.5

The binding sites of Chlorine atom in the Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution (pdb code 2nlv). 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 A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution, PDB code: 2nlv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution


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 A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl112 b:12.1 occ:1.00 O A:HOH195 3.1 23.8 1.0 O A:HOH180 3.2 19.9 1.0 O A:HOH185 3.2 23.8 1.0 N A:ALA111 3.3 11.1 1.0 NH1 A:ARG103 3.4 9.0 1.0 CD A:ARG103 3.6 9.3 1.0 CB A:ALA111 3.8 13.3 1.0 CA A:VAL110 3.9 9.0 1.0 CB A:VAL110 4.0 8.3 1.0 C A:VAL110 4.1 11.3 1.0 CG1 A:VAL94 4.1 8.8 1.0 CH2 A:TRP69 4.2 9.0 1.0 CA A:ALA111 4.2 17.2 1.0 CZ A:ARG103 4.3 8.0 1.0 CZ2 A:TRP69 4.4 9.0 1.0 NE A:ARG103 4.4 8.0 1.0 CG1 A:VAL110 4.5 9.6 1.0 CB A:ARG103 4.6 7.9 1.0 CG A:ARG103 4.7 7.7 1.0 O A:HOH201 4.7 22.4 1.0 O A:HOH226 4.8 29.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution


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 A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl113 b:24.2 occ:1.00 O A:HOH237 3.0 29.5 1.0 O B:HOH177 3.0 26.6 1.0 N A:CYS57 3.1 8.1 1.0 O A:HOH232 3.3 30.5 1.0 NE2 A:GLN72 3.5 13.9 1.0 O A:HOH182 3.6 23.1 1.0 CA A:ARG56 3.7 8.5 0.5 CA A:ARG56 3.8 9.2 0.5 CB A:CYS57 3.8 10.3 1.0 C A:ARG56 3.9 7.0 0.5 C A:ARG56 3.9 7.8 0.5 CA A:CYS57 3.9 7.1 1.0 O A:CYS57 4.1 8.5 1.0 CE2 B:TYR55 4.2 14.0 1.0 CB A:ARG56 4.2 11.3 0.5 O A:HOH246 4.2 37.2 1.0 O B:HOH206 4.3 37.6 1.0 O A:TYR55 4.4 8.4 1.0 C A:CYS57 4.5 8.5 1.0 CB A:ARG56 4.5 11.1 0.5 CD2 B:TYR55 4.5 14.5 1.0 CD A:GLN72 4.7 16.4 1.0 N A:ARG56 4.8 6.9 0.5 O B:HOH130 4.8 15.3 1.0 N A:ARG56 4.8 7.2 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution


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 A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl114 b:13.4 occ:1.00 O B:HOH115 3.1 11.7 1.0 NH2 A:ARG103 3.1 10.8 1.0 O A:HOH122 3.2 9.8 1.0 O B:HOH129 3.2 14.7 1.0 NH1 A:ARG103 3.4 9.0 1.0 CD1 B:TRP48 3.7 7.0 1.0 CZ A:ARG103 3.7 8.0 1.0 CZ3 A:TRP69 3.8 9.6 1.0 CA B:GLY47 4.3 8.0 1.0 CH2 A:TRP69 4.3 9.0 1.0 NE1 B:TRP48 4.3 7.4 1.0 CG A:PRO100 4.3 12.4 1.0 O B:ASP27 4.5 9.0 1.0 O B:HOH121 4.8 13.8 1.0 C B:GLY47 4.8 7.1 1.0 CG B:TRP48 4.8 7.4 1.0 O B:HOH218 4.9 23.4 1.0 CE3 A:TRP69 4.9 8.2 1.0 N B:TRP48 4.9 6.6 1.0 O A:GLY96 5.0 8.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution


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 A Xisi-Like Protein (AVA_3825) From Anabaena Variabilis Atcc 29413 at 1.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl115 b:18.0 occ:1.00 NE2 B:HIS40 3.0 10.8 1.0 O A:HOH135 3.1 15.8 1.0 O A:HOH249 3.2 29.6 1.0 N A:LEU32 3.4 7.6 0.0 N A:LEU32 3.4 7.9 1.0 CD B:ARG38 3.7 14.2 1.0 O A:VAL30 3.7 12.1 1.0 O B:HOH181 3.8 23.8 1.0 CA A:GLN31 3.8 8.2 1.0 CE1 B:HIS40 3.9 11.3 1.0 CG B:ARG38 3.9 10.5 1.0 O A:LEU32 3.9 9.9 1.0 CB B:ARG38 4.0 10.0 1.0 CD2 B:HIS40 4.0 10.0 1.0 C A:GLN31 4.1 8.6 1.0 CA A:LEU32 4.4 9.1 1.0 CA A:LEU32 4.4 8.7 0.0 O A:LEU32 4.5 9.6 0.0 CB A:GLN31 4.5 8.6 1.0 CB A:LEU32 4.5 12.7 1.0 CB A:LEU32 4.5 12.3 0.0 C A:LEU32 4.5 9.3 1.0 C A:VAL30 4.6 9.2 1.0 N A:GLN31 4.7 7.4 1.0 C A:LEU32 4.7 9.0 0.0 NE B:ARG38 4.8 11.7 1.0 CG A:GLN31 4.9 9.8 1.0

W.C.Hwang, J.W.Golden, J.Pascual, D.Xu, A.Cheltsov, A.Godzik. Site-Specific Recombination of Nitrogen-Fixation Genes in Cyanobacteria By Xisf-Xish-Xisi Complex: Structures and Models. Proteins 2014.
ISSN: ESSN 1097-0134
PubMed: 25179344
DOI: 10.1002/PROT.24679