Chlorine in PDB 1rkq: Crystal Structure of Had-Like Phosphatase Yida From E. Coli

The structure of Crystal Structure of Had-Like Phosphatase Yida From E. Coli, PDB code: 1rkq was solved by U.A.Ramagopal, S.C.Almo, S.K.Burley, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.50 / 1.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.120, 54.871, 67.725, 112.58, 96.37, 106.79
R / Rfree (%)	17.7 / 21.3

The structure of Crystal Structure of Had-Like Phosphatase Yida From E. Coli also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Had-Like Phosphatase Yida From E. Coli (pdb code 1rkq). 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 Had-Like Phosphatase Yida From E. Coli, PDB code: 1rkq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Had-Like Phosphatase Yida From E. Coli


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 Had-Like Phosphatase Yida From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1272 b:15.0 occ:1.00 O A:HOH1276 3.0 15.5 1.0 N A:GLY45 3.1 12.8 1.0 ND2 A:ASN224 3.1 15.3 1.0 O A:HOH1280 3.2 14.3 1.0 O A:HOH1419 3.3 26.3 1.0 NZ A:LYS198 3.3 13.1 1.0 OD1 A:ASP10 3.4 14.3 1.0 CA A:GLY45 3.7 12.5 1.0 CE A:LYS198 3.8 14.7 1.0 O A:HOH1274 3.9 15.5 1.0 CB A:SER184 3.9 14.6 1.0 CG A:ASN224 4.1 13.8 1.0 O A:HOH1288 4.1 18.1 1.0 C A:THR44 4.2 11.9 1.0 OD1 A:ASN224 4.2 14.4 1.0 OG1 A:THR44 4.2 12.8 1.0 O A:HOH1290 4.2 17.2 1.0 CA A:THR44 4.3 12.5 1.0 CG A:ASP10 4.4 12.9 1.0 OG A:SER184 4.5 16.0 1.0 MG A:MG1273 4.5 14.2 1.0 OD1 A:ASN71 4.6 29.2 1.0 C A:GLY45 4.8 13.0 1.0 OE2 A:GLU190 4.8 17.0 1.0 N A:ARG46 4.8 12.1 1.0 OD2 A:ASP10 4.9 16.7 1.0 CB A:THR44 4.9 12.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Had-Like Phosphatase Yida From E. Coli


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 Had-Like Phosphatase Yida From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2272 b:14.7 occ:1.00 O B:HOH2276 3.0 15.1 1.0 N B:GLY45 3.1 13.1 1.0 ND2 B:ASN224 3.1 15.7 1.0 O B:HOH2359 3.2 23.3 1.0 NZ B:LYS198 3.2 14.4 1.0 O B:HOH2278 3.2 14.6 1.0 OD1 B:ASP10 3.4 14.6 1.0 CA B:GLY45 3.7 12.3 1.0 CE B:LYS198 3.8 14.2 1.0 O B:HOH2275 3.9 13.4 1.0 CB B:SER184 3.9 12.8 1.0 CG B:ASN224 4.1 13.8 1.0 C B:THR44 4.1 12.5 1.0 OD1 B:ASN224 4.1 13.5 1.0 O B:HOH2330 4.1 19.8 1.0 OG1 B:THR44 4.2 12.7 1.0 CA B:THR44 4.2 12.6 1.0 O B:HOH2306 4.2 17.8 1.0 CG B:ASP10 4.4 14.5 1.0 MG B:MG2273 4.5 12.6 1.0 OG B:SER184 4.6 14.8 1.0 C B:GLY45 4.7 12.7 1.0 OD1 B:ASN71 4.7 32.0 1.0 N B:ARG46 4.8 13.3 1.0 CB B:THR44 4.9 13.4 1.0 OD2 B:ASP10 4.9 16.5 1.0 OE2 B:GLU190 4.9 17.4 1.0

U.A.Ramagopal, S.C.Almo. Crystal Structure of Nysgrc Target T1436: A Hypothetical Protein Yida. To Be Published.