Chlorine in PDB 3tjy: Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion

The structure of Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion, PDB code: 3tjy was solved by A.U.Singer, A.Stein, X.Xu, H.Cui, A.Joachimiak, A.M.Edwards, A.Savchenko, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.68 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.427, 57.427, 54.800, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.7

The binding sites of Chlorine atom in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion (pdb code 3tjy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion, PDB code: 3tjy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl234 b:25.8 occ:1.00 O A:HOH41 2.8 25.3 1.0 O A:HOH93 2.8 24.0 1.0 N A:ASP192 3.0 11.6 1.0 C A:PHE190 3.2 9.5 1.0 N A:PRO191 3.3 9.7 1.0 CA A:PHE190 3.4 9.8 1.0 CD A:PRO191 3.4 11.2 1.0 CB A:ASP192 3.6 13.3 1.0 O A:PHE190 3.7 11.4 1.0 CA A:ASP192 3.7 12.8 1.0 CB A:PHE190 3.8 9.7 1.0 OD2 A:ASP192 3.9 24.4 1.0 CG A:PRO191 3.9 12.7 1.0 C A:PRO191 4.0 9.7 1.0 CG A:ASP192 4.1 21.2 1.0 N A:MSE193 4.1 11.6 0.3 N A:MSE193 4.1 10.2 0.7 C A:ASP192 4.1 11.6 1.0 CA A:PRO191 4.1 8.5 1.0 O A:HOH22 4.2 22.0 1.0 O A:HOH25 4.3 18.5 1.0 CD1 A:PHE190 4.6 8.8 1.0 CB A:PRO191 4.7 15.9 1.0 CG A:PHE190 4.7 8.7 1.0 N A:PHE190 4.7 10.1 1.0 O A:GLY197 4.8 14.8 1.0 CA A:MSE193 4.9 13.0 0.7 CA A:MSE193 4.9 13.8 0.3 O A:HOH28 5.0 21.8 1.0 O A:HIS189 5.0 11.4 1.0 O A:ASP192 5.0 15.1 1.0

Chlorine binding site 2 out of 4 in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl235 b:40.3 occ:1.00 ND2 A:ASN184 3.0 36.6 0.7 NH1 A:ARG180 4.0 36.4 1.0 CG A:ASN184 4.0 25.3 0.7 CD A:ARG180 4.0 40.6 1.0 CG A:ARG180 4.1 30.4 1.0 OD1 A:ASN184 4.2 25.8 0.7 ND2 A:ASN184 4.4 16.7 0.3 CZ A:ARG180 5.0 43.6 1.0 NE A:ARG180 5.0 43.6 1.0

Chlorine binding site 3 out of 4 in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:45.1 occ:1.00 N A:GLU203 3.3 11.4 1.0 O A:HOH82 3.5 16.7 1.0 CA A:SER202 3.8 14.0 1.0 O A:HOH127 3.8 42.9 1.0 CB A:SER202 4.0 18.6 1.0 C A:SER202 4.0 14.0 1.0 CB A:GLU203 4.1 16.4 1.0 CG A:GLU203 4.2 27.1 1.0 CA A:GLU203 4.3 11.1 1.0 CD A:GLU203 4.7 41.6 1.0 OE1 A:GLU203 4.8 43.9 1.0 O A:HOH126 4.9 35.2 1.0 O A:ASN201 4.9 18.2 1.0

Chlorine binding site 4 out of 4 in the Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Pto-Binding Domain of Hoppmal Generated By Limited Chymotrypsin Digestion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl236 b:74.5 occ:1.00 NH2 A:ARG172 3.6 30.6 0.6 NH1 A:ARG172 3.9 31.2 0.6 NH1 A:ARG168 3.9 27.4 1.0 CD A:ARG168 4.0 22.8 1.0 CZ A:ARG172 4.2 34.4 0.6 CZ A:ARG168 4.5 24.8 1.0 NE A:ARG168 4.5 26.8 1.0 NH1 A:ARG172 4.6 33.3 0.4 O A:HOH75 4.7 29.9 1.0

A.U.Singer, B.Wu, A.Yee, S.Houliston, X.Xu, H.Cui, T.Skarina, M.Garcia, A.Semesi, C.H.Arrowsmith, A.Savchenko. Structural Analysis of Hoppmal Reveals the Presence of A Second Adaptor Domain Common to the Hopab Family of Pseudomonas Syringae Type III Effectors. Biochemistry V. 51 1 2012.
ISSN: ISSN 0006-2960
PubMed: 22191472
DOI: 10.1021/BI2013883