Chlorine in PDB 2esw: Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor

The structure of Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor, PDB code: 2esw was solved by Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.01
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.287, 88.287, 40.558, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 25.4

The structure of Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor also contains other interesting chemical elements:

Mercury

(Hg)

6 atoms

The binding sites of Chlorine atom in the Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor (pdb code 2esw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor, PDB code: 2esw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:64.0 occ:1.00 OD2 A:ASP29 2.6 32.6 1.0 O A:HOH1011 2.9 33.4 1.0 O A:HOH1047 3.5 60.3 1.0 HG A:HG1001 3.5 58.6 1.0 CG A:ASP29 3.6 30.6 1.0 NE2 A:HIS46 3.8 48.0 1.0 N A:SER26 3.8 24.2 1.0 CD2 A:HIS46 3.8 50.8 1.0 OD1 A:ASP29 4.0 29.6 1.0 CA A:PHE25 4.0 22.8 1.0 OG A:SER26 4.1 35.9 1.0 C A:PHE25 4.3 24.2 1.0 CB A:SER26 4.4 26.8 1.0 NH2 A:ARG49 4.5 49.5 1.0 CL A:CL1009 4.5 42.1 1.0 CB A:PHE25 4.6 23.6 1.0 O A:SER24 4.7 29.1 1.0 CA A:SER26 4.7 24.2 1.0 CB A:ASP29 4.8 24.4 1.0

Chlorine binding site 2 out of 3 in the Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1009 b:42.1 occ:1.00 OD1 A:ASP29 2.4 29.6 1.0 O A:HOH1011 2.8 33.4 1.0 NE2 A:HIS46 2.9 48.0 1.0 CE1 A:HIS46 3.0 57.8 1.0 CG A:ASP29 3.0 30.6 1.0 O A:HOH1013 3.2 28.4 1.0 HG A:HG1004 3.2 78.8 1.0 CB A:ASP29 3.6 24.4 1.0 OD2 A:ASP29 3.7 32.6 1.0 CA A:ASP29 3.8 24.2 1.0 CB B:ASN56 4.0 24.0 1.0 CG B:ASN56 4.1 27.8 1.0 CD2 A:HIS46 4.2 50.8 1.0 ND1 A:HIS46 4.3 56.9 1.0 O A:HOH1012 4.3 29.4 1.0 ND2 B:ASN56 4.3 25.7 1.0 CL B:CL1007 4.4 38.1 1.0 CL A:CL1008 4.5 64.0 1.0 OD1 B:ASN56 4.6 28.2 1.0 N A:VAL30 4.7 28.4 1.0 N A:ASP29 4.8 23.8 1.0 C A:ASP29 4.8 21.2 1.0 CG A:HIS46 4.9 49.5 1.0

Chlorine binding site 3 out of 3 in the Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Atomic Structure of the N-Terminal SH3 Domain of Mouse Beta Pix,P21-Activated Kinase (Pak)-Interacting Exchange Factor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1007 b:38.1 occ:1.00 O B:GLY40 2.8 45.5 1.0 OD1 B:ASN56 3.2 28.2 1.0 HG A:HG1004 3.2 78.8 1.0 N B:SER55 3.4 31.1 1.0 C B:GLY40 3.4 43.1 1.0 CA B:GLY40 3.6 48.0 1.0 OG B:SER55 3.7 35.7 1.0 CA B:PRO54 3.7 28.3 1.0 O A:HOH1013 3.8 28.4 1.0 N B:ASN56 3.8 20.5 1.0 C B:PRO54 3.9 29.5 1.0 CB B:PRO54 3.9 21.8 1.0 CG B:ASN56 4.0 27.8 1.0 HG B:HG1002 4.2 50.6 1.0 CA B:SER55 4.3 26.6 1.0 CL A:CL1009 4.4 42.1 1.0 CB B:ASN56 4.4 24.0 1.0 CB B:SER55 4.5 25.1 1.0 N B:TRP41 4.5 36.5 1.0 C B:SER55 4.6 26.1 1.0 NE1 B:TRP41 4.6 35.3 1.0 CD1 B:TRP41 4.7 32.0 1.0 CA B:ASN56 4.7 22.2 1.0 O B:PRO54 4.9 29.7 1.0 O B:HOH1067 5.0 78.4 1.0

X.Li, X.Liu, F.Sun, J.Gao, H.Zhou, G.F.Gao, M.Bartlam, Z.Rao. Crystal Structure of the N-Terminal SH3 Domain of Mouse Betapix, P21-Activated Kinase-Interacting Exchange Factor Biochem.Biophys.Res.Commun. V. 339 407 2006.
ISSN: ISSN 0006-291X
PubMed: 16307729
DOI: 10.1016/J.BBRC.2005.10.212