Chlorine in PDB 3hyj: Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia

The structure of Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia, PDB code: 3hyj was solved by B.K.Kaiser, M.C.Clifton, B.W.Shen, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.19 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.448, 79.899, 115.426, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26

The structure of Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia (pdb code 3hyj). 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 the N-Terminal Laglidadg Domain of DUF199/Whia, PDB code: 3hyj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia


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 the N-Terminal Laglidadg Domain of DUF199/Whia within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl199 b:63.3 occ:1.00 NZ D:LYS14 3.2 25.4 1.0 O D:GLY123 3.5 16.2 1.0 O D:SER121 3.9 14.6 1.0 CB D:HIS54 3.9 23.9 1.0 NH1 D:ARG39 4.1 41.1 1.0 O D:LEU120 4.4 14.5 1.0 ND1 D:HIS54 4.4 35.3 1.0 CB D:SER55 4.5 19.9 1.0 N D:GLY123 4.5 15.3 1.0 N D:HIS54 4.5 22.3 1.0 C D:GLY123 4.5 15.2 1.0 CE D:LYS14 4.6 26.2 1.0 C D:SER121 4.6 15.1 1.0 N D:SER55 4.6 20.7 1.0 C D:GLY122 4.6 15.5 1.0 CG D:HIS54 4.6 29.4 1.0 CA D:HIS54 4.6 23.2 1.0 C D:HIS54 4.8 21.9 1.0 CA D:GLY122 4.8 15.5 1.0 N D:GLY122 4.9 15.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the N-Terminal Laglidadg Domain of DUF199/Whia


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 the N-Terminal Laglidadg Domain of DUF199/Whia within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl200 b:62.5 occ:1.00 CD D:ARG60 3.7 28.3 1.0 NH1 D:ARG60 3.8 37.8 1.0 CB D:ARG60 3.9 21.9 1.0 CG A:ARG60 3.9 26.6 1.0 ND2 D:ASN64 3.9 17.3 1.0 NE A:ARG60 4.1 31.6 1.0 CG D:ARG60 4.1 23.9 1.0 CB A:ARG60 4.2 24.7 1.0 ND2 A:ASN64 4.2 20.2 1.0 CD A:ARG60 4.4 29.4 1.0 OD1 A:ASN64 4.4 22.0 1.0 OD1 D:ASN64 4.5 18.2 1.0 NE D:ARG60 4.6 33.0 1.0 CZ D:ARG60 4.6 35.8 1.0 CG D:ASN64 4.6 18.5 1.0 CG1 D:VAL18 4.7 23.1 1.0 CG A:ASN64 4.8 21.2 1.0 CG1 A:VAL18 4.8 32.0 1.0 CA D:ARG60 4.8 21.7 1.0 O D:ARG60 4.8 21.7 1.0 O A:ARG60 5.0 24.6 1.0

B.K.Kaiser, M.C.Clifton, B.W.Shen, B.L.Stoddard. The Structure of A Bacterial DUF199/Whia Protein: Domestication of An Invasive Endonuclease. Structure V. 17 1368 2009.
ISSN: ISSN 0969-2126
PubMed: 19836336
DOI: 10.1016/J.STR.2009.08.008