Chlorine in PDB 1xgk: Crystal Structure of N12G and A18G Mutant Nmra

The structure of Crystal Structure of N12G and A18G Mutant Nmra, PDB code: 1xgk was solved by H.K.Lamb, J.Ren, A.Park, C.Johnson, K.Leslie, S.Cocklin, P.Thompson, C.Mee, A.Cooper, D.K.Stammers, A.R.Hawkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.38 / 1.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.610, 76.610, 103.820, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 23.8

The structure of Crystal Structure of N12G and A18G Mutant Nmra also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of N12G and A18G Mutant Nmra (pdb code 1xgk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of N12G and A18G Mutant Nmra, PDB code: 1xgk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of N12G and A18G Mutant Nmra


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 N12G and A18G Mutant Nmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:31.1 occ:1.00 O A:HOH969 2.8 14.4 1.0 OE1 A:GLN106 3.0 22.2 1.0 CB A:GLN106 3.5 21.1 1.0 CD A:PRO208 3.6 12.4 1.0 CD2 A:LEU76 3.8 14.2 1.0 NZ A:LYS6 4.0 21.4 1.0 CD A:GLN106 4.0 29.9 1.0 CG A:PRO208 4.2 14.6 1.0 CB A:HIS107 4.3 11.4 1.0 CG A:GLN106 4.4 18.1 1.0 C A:GLN106 4.5 18.8 1.0 O A:GLN106 4.6 18.7 1.0 CA A:GLN106 4.7 21.6 1.0 CD A:LYS6 4.8 20.4 1.0 O A:PHE204 4.8 14.4 1.0 N A:HIS107 4.8 13.6 1.0 N A:PRO208 4.9 12.6 1.0 CA A:GLY207 5.0 13.3 1.0 ND1 A:HIS107 5.0 10.8 1.0 CE A:LYS6 5.0 22.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of N12G and A18G Mutant Nmra


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 N12G and A18G Mutant Nmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:33.3 occ:1.00 O A:HOH1524 3.0 46.0 1.0 NE2 A:GLN166 3.2 17.6 1.0 NZ A:LYS251 3.2 20.2 1.0 O A:HOH1271 3.3 29.2 1.0 O A:HOH1226 3.5 47.5 1.0 CD A:LYS251 3.7 17.9 1.0 O A:HOH1191 3.7 37.3 1.0 OE2 A:GLU168 3.8 30.1 1.0 OE1 A:GLN166 4.0 17.0 1.0 CD A:GLN166 4.0 13.6 1.0 CE A:LYS251 4.0 19.1 1.0 CB A:PRO161 4.2 15.3 1.0 CD A:GLU168 4.3 26.1 1.0 CG A:GLU168 4.5 23.1 1.0 CA A:PRO161 4.7 11.6 1.0 O A:HOH1001 4.7 17.7 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of N12G and A18G Mutant Nmra


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 N12G and A18G Mutant Nmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:31.9 occ:1.00 N A:LEU39 3.3 18.8 1.0 O A:HOH1519 3.3 56.3 1.0 CG A:GLN57 3.6 24.9 1.0 CA A:SER38 3.7 23.2 1.0 CB A:GLN57 3.8 22.7 1.0 O A:HOH1175 3.8 37.4 1.0 CB A:SER38 3.9 28.6 1.0 CG A:LEU39 3.9 18.5 1.0 C A:SER38 4.0 20.9 1.0 CB A:LEU39 4.1 17.2 1.0 CA A:LEU39 4.3 17.6 1.0 CD A:GLN57 4.4 39.6 1.0 CD1 A:LEU39 4.4 27.4 1.0 NE2 A:GLN57 4.7 28.9 1.0 O A:HIS37 4.7 24.4 1.0 N A:SER38 4.9 21.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of N12G and A18G Mutant Nmra


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 N12G and A18G Mutant Nmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl964 b:26.5 occ:1.00 O A:HOH1486 2.9 45.7 1.0 O A:HOH1527 2.9 47.3 1.0 O A:HOH1333 3.0 42.4 1.0 O A:HOH973 3.1 18.4 1.0 NH1 A:ARG33 3.3 14.0 1.0 CG A:ARG33 3.4 13.4 1.0 CD A:ARG33 3.7 14.0 1.0 CG2 A:THR7 4.1 14.0 1.0 CZ A:ARG33 4.3 15.4 1.0 CB A:HIS31 4.5 16.4 1.0 NE A:ARG33 4.5 14.9 1.0 O A:HOH1418 4.5 39.0 1.0 O A:HOH1221 4.6 30.8 1.0 OG1 A:THR7 4.7 16.1 1.0 OG1 A:THR54 4.8 20.1 1.0 O A:VAL32 4.9 13.6 1.0 CB A:ARG33 4.9 11.9 1.0 O A:HOH1288 4.9 40.2 1.0 O A:HOH1209 4.9 48.2 1.0 O A:HOH1168 5.0 34.3 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of N12G and A18G Mutant Nmra


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of N12G and A18G Mutant Nmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2040 b:18.2 occ:1.00 O A:HOH1164 2.8 37.7 1.0 O A:HOH1427 3.0 44.2 1.0 N A:LYS6 3.2 16.6 1.0 CE1 A:HIS30 3.4 14.6 1.0 CG A:LYS6 3.7 16.4 1.0 CB A:LYS6 3.8 12.6 1.0 CA A:LYS5 3.9 15.9 1.0 O A:HOH1322 3.9 43.0 1.0 CD A:LYS6 4.0 20.4 1.0 CD A:LYS5 4.0 32.2 1.0 C A:LYS5 4.0 14.9 1.0 CA A:LYS6 4.1 15.6 1.0 ND1 A:HIS30 4.2 12.8 1.0 O A:HOH1416 4.2 43.7 1.0 CD1 A:LEU76 4.3 10.8 1.0 O A:GLN4 4.4 36.5 1.0 NE2 A:HIS30 4.4 13.8 1.0 CE A:LYS6 4.5 22.9 1.0 CB A:LYS5 4.6 19.5 1.0 O A:LYS6 4.8 15.9 1.0 N A:LYS5 4.9 21.1 1.0 O A:HOH997 4.9 16.0 1.0 CG A:LYS5 5.0 25.6 1.0 C A:LYS6 5.0 14.7 1.0

H.K.Lamb, J.Ren, A.Park, C.Johnson, K.Leslie, S.Cocklin, P.Thompson, C.Mee, A.Cooper, D.K.Stammers, A.R.Hawkins. Modulation of the Ligand Binding Properties of the Transcription Repressor Nmra By Gata-Containing Dna and Site-Directed Mutagenesis Protein Sci. V. 13 3127 2004.
ISSN: ISSN 0961-8368
PubMed: 15537757
DOI: 10.1110/PS.04958904