Chlorine in PDB 2ill: Anomalous Substructure of Titin-A168169

All present enzymatic activity of Anomalous Substructure of Titin-A168169:
2.7.11.1;

The structure of Anomalous Substructure of Titin-A168169, PDB code: 2ill 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 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.260, 89.120, 103.550, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 24.3

The binding sites of Chlorine atom in the Anomalous Substructure of Titin-A168169 (pdb code 2ill). 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 Titin-A168169, PDB code: 2ill:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Anomalous Substructure of Titin-A168169


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 Titin-A168169 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:43.4 occ:0.35 O A:HOH1056 3.0 59.1 1.0 NH2 A:ARG116 3.5 84.3 1.0 NE A:ARG116 3.6 76.3 1.0 N A:ARG168 3.8 50.8 1.0 CZ A:ARG116 3.8 81.3 1.0 CB A:GLU167 3.9 47.8 1.0 CA A:GLU167 4.0 48.9 1.0 CG A:GLU167 4.2 49.3 1.0 C A:GLU167 4.4 50.1 1.0 CB A:ARG168 4.6 54.0 1.0 CD A:ARG116 4.6 58.3 1.0 CG A:ARG168 4.7 59.5 1.0 CD A:ARG168 4.8 61.1 1.0 CA A:ARG168 4.8 52.7 1.0 NH1 A:ARG116 4.9 85.3 1.0

Chlorine binding site 2 out of 2 in the Anomalous Substructure of Titin-A168169


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 Titin-A168169 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:53.8 occ:0.30 CG A:ARG155 3.3 66.3 1.0 CB A:ARG155 3.4 56.1 1.0 N A:ARG155 3.4 52.3 1.0 CB A:THR154 3.6 47.6 1.0 OG1 A:THR154 3.6 45.6 1.0 CA A:ARG155 3.9 55.4 1.0 NE A:ARG155 3.9 80.2 1.0 CZ A:ARG155 4.1 81.5 1.0 N A:SER156 4.1 52.2 1.0 CD A:ARG155 4.2 63.6 1.0 OG A:SER156 4.4 51.1 1.0 NH1 A:ARG155 4.4 78.6 1.0 C A:THR154 4.4 50.2 1.0 C A:ARG155 4.5 54.1 1.0 NH2 A:ARG155 4.5 83.0 1.0 CA A:THR154 4.5 48.2 1.0 CG2 A:THR154 4.6 45.0 1.0 CB A:SER156 4.9 53.5 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