Chlorine in PDB 2r7l: Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar

The structure of Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar, PDB code: 2r7l was solved by Y.Zhang, R.H.White, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.10 / 2.10
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	109.554, 109.554, 255.807, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 26

The binding sites of Chlorine atom in the Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar (pdb code 2r7l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar, PDB code: 2r7l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar


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 Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:39.4 occ:1.00 NE2 A:HIS27 3.0 37.6 1.0 NH2 A:ARG314 3.2 49.6 1.0 N A:GLY317 3.3 30.7 1.0 O A:HOH702 3.5 44.0 1.0 C1 A:AMZ401 3.5 40.4 1.0 OD1 A:ASP316 3.6 37.3 1.0 CE1 A:HIS27 3.6 38.7 1.0 N3 A:AMZ401 3.7 25.6 1.0 N A:AMZ401 3.7 35.8 1.0 O A:AMZ401 3.7 38.4 1.0 CA A:ASP316 3.8 31.0 1.0 C7A A:AMZ401 3.8 31.4 1.0 CG A:ASP316 4.0 39.7 1.0 C A:ASP316 4.0 33.3 1.0 CD2 A:HIS27 4.2 32.1 1.0 CA A:GLY317 4.2 22.2 1.0 CZ A:ARG314 4.2 52.6 1.0 CB A:ASP316 4.4 32.9 1.0 O A:VAL315 4.4 34.2 1.0 NH1 A:ARG314 4.4 49.1 1.0 C5 A:AMZ401 4.6 26.9 1.0 OG A:SER312 4.6 53.4 1.0 OD2 A:ASP316 4.6 34.4 1.0 C3A A:AMZ401 4.7 27.9 1.0 O1G A:ATP400 4.8 53.2 1.0 ND1 A:HIS27 4.9 30.4 1.0 N A:ASP316 4.9 31.2 1.0 C2 A:AMZ401 4.9 42.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar


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 Faicar Synthetase (Purp) From M. Jannaschii Complexed with Atp and Aicar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:38.0 occ:1.00 ND1 A:HIS210 3.2 22.1 1.0 N A:ASP316 3.3 31.2 1.0 CB A:HIS210 3.6 25.5 1.0 CG2 A:THR319 3.6 20.5 1.0 CG A:HIS210 3.8 29.2 1.0 O A:PHE294 3.9 35.4 1.0 CB A:ASP316 3.9 32.9 1.0 CB A:CYS295 3.9 34.3 1.0 CE A:MET339 3.9 29.6 1.0 C A:PHE294 4.0 36.2 1.0 CA A:VAL315 4.0 37.4 1.0 CA A:HIS210 4.1 30.1 1.0 C A:VAL315 4.1 37.4 1.0 CA A:ASP316 4.2 31.0 1.0 N A:PHE294 4.2 35.8 1.0 O A:ARG314 4.2 42.6 1.0 CB A:PRO293 4.2 27.3 1.0 CG2 A:VAL315 4.3 28.3 1.0 N A:CYS295 4.3 38.8 1.0 CE1 A:HIS210 4.3 26.2 1.0 CA A:PHE294 4.4 32.5 1.0 CA A:CYS295 4.5 38.6 1.0 O A:ASP316 4.5 33.7 1.0 C A:PRO293 4.6 38.7 1.0 O A:TYR211 4.6 26.1 1.0 CA A:PRO293 4.7 30.2 1.0 CB A:VAL315 4.7 34.8 1.0 N A:TYR211 4.7 24.9 1.0 C A:HIS210 4.8 23.8 1.0 CG A:MET339 4.8 18.9 1.0 C A:ASP316 4.9 33.3 1.0 N A:VAL315 4.9 34.5 1.0 C A:ARG314 5.0 41.8 1.0 SG A:CYS295 5.0 29.6 1.0 SD A:MET339 5.0 28.6 1.0

Y.Zhang, R.H.White, S.E.Ealick. Crystal Structure and Function of 5-Formaminoimidazole-4-Carboxamide Ribonucleotide Synthetase From Methanocaldococcus Jannaschii. Biochemistry V. 47 205 2008.
ISSN: ISSN 0006-2960
PubMed: 18069798
DOI: 10.1021/BI701406G