Chlorine in PDB 2g4k: Anomalous Substructure of Human Adp-Ribosylhydrolase 3

The structure of Anomalous Substructure of Human Adp-Ribosylhydrolase 3, PDB code: 2g4k was solved by C.Mueller-Dieckmann, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.030, 59.340, 98.710, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.7

The structure of Anomalous Substructure of Human Adp-Ribosylhydrolase 3 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Anomalous Substructure of Human Adp-Ribosylhydrolase 3 (pdb code 2g4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Anomalous Substructure of Human Adp-Ribosylhydrolase 3, PDB code: 2g4k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Anomalous Substructure of Human Adp-Ribosylhydrolase 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anomalous Substructure of Human Adp-Ribosylhydrolase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl353 b:31.1 occ:0.35 O A:HOH398 3.3 28.2 1.0 N A:GLN211 3.6 22.0 1.0 CB A:GLN211 3.8 22.9 1.0 N A:ALA210 4.0 17.8 1.0 CB A:ASP209 4.2 24.5 1.0 CA A:GLN211 4.3 21.1 1.0 CB A:ALA210 4.4 21.1 1.0 CA A:ALA210 4.5 20.3 1.0 C A:ALA210 4.5 19.9 1.0 O A:HOH408 4.6 35.0 1.0 C A:ASP209 4.6 20.9 1.0 CA A:ASP209 4.8 23.7 1.0 CG A:ASP209 4.9 30.1 1.0

Chlorine binding site 2 out of 2 in the Anomalous Substructure of Human Adp-Ribosylhydrolase 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anomalous Substructure of Human Adp-Ribosylhydrolase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl354 b:18.9 occ:0.25 NH1 A:ARG8 3.4 44.3 1.0 CA A:SER5 3.7 28.0 1.0 N A:SER5 3.7 28.2 1.0 CD A:ARG8 3.8 34.9 1.0 CB A:SER5 3.8 29.3 1.0 CG A:LEU4 4.0 26.7 1.0 C A:LEU4 4.1 26.7 1.0 CZ A:ARG8 4.2 46.6 1.0 NE A:ARG8 4.3 29.9 1.0 CD2 A:LEU4 4.3 29.8 1.0 O A:LEU4 4.4 26.3 1.0 CB A:LEU4 4.5 28.9 1.0 OG A:SER5 4.6 27.8 1.0 CA A:LEU4 5.0 28.0 1.0 CG A:MET316 5.0 29.3 1.0

C.Mueller-Dieckmann, S.Panjikar, A.Schmidt, S.Mueller, J.Kuper, A.Geerlof, M.Wilmanns, R.K.Singh, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624