Mercury 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:

Chlorine

(Cl)

3 atoms

The binding sites of Mercury 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 Mercury atom.
In total 6 binding sites of Mercury 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 Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 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 Mercury with other atoms in the Hg 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:Hg1001 b:58.6 occ:1.00 CD2 A:HIS46 2.3 50.8 1.0 NH2 A:ARG49 2.5 49.5 1.0 CG A:HIS46 3.2 49.5 1.0 NE A:ARG49 3.2 46.0 1.0 CZ A:ARG49 3.2 47.8 1.0 NE2 A:HIS46 3.3 48.0 1.0 O A:HIS46 3.3 37.8 1.0 CL A:CL1008 3.5 64.0 1.0 CB A:HIS46 3.6 43.6 1.0 C A:HIS46 3.9 37.9 1.0 CB A:ASN47 4.1 43.5 1.0 O A:SER24 4.2 29.1 1.0 ND1 A:HIS46 4.3 56.9 1.0 CE1 A:HIS46 4.3 57.8 1.0 CA A:HIS46 4.4 35.7 1.0 NH1 A:ARG49 4.4 41.1 1.0 CD A:ARG49 4.5 46.4 1.0 N A:ASN47 4.6 37.8 1.0 CG A:ARG49 4.9 45.1 1.0 CD2 A:LEU23 4.9 33.9 1.0 OD2 A:ASP29 4.9 32.6 1.0 CA A:ASN47 4.9 40.2 1.0 CB A:ARG49 4.9 44.1 1.0

Mercury binding site 2 out of 6 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 Mercury with other atoms in the Hg 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:Hg1003 b:53.4 occ:1.00 NE1 A:TRP41 2.3 35.8 1.0 CD1 A:TRP41 3.0 36.0 1.0 CE2 A:TRP41 3.6 32.0 1.0 O A:GLY39 4.0 51.6 1.0 CZ2 A:TRP41 4.2 25.8 1.0 CG A:TRP41 4.3 33.7 1.0 CD2 A:TRP41 4.6 31.3 1.0 O A:HOH1019 4.7 37.2 1.0

Mercury binding site 3 out of 6 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 Mercury with other atoms in the Hg 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 A:Hg1004 b:78.8 occ:1.00 CE1 A:HIS46 3.0 57.8 1.0 CL A:CL1009 3.2 42.1 1.0 CL B:CL1007 3.2 38.1 1.0 CA B:GLY40 3.4 48.0 1.0 O A:HOH1031 3.4 57.2 1.0 NE2 A:HIS46 3.5 48.0 1.0 O A:HOH1013 3.7 28.4 1.0 ND1 A:HIS46 3.9 56.9 1.0 N B:GLY40 4.1 53.4 1.0 O B:HOH1012 4.1 35.9 1.0 HG B:HG1002 4.2 50.6 1.0 O B:HOH1065 4.3 65.6 1.0 O B:GLY39 4.4 58.2 1.0 C B:GLY40 4.4 43.1 1.0 C B:GLY39 4.5 56.6 1.0 O B:GLY40 4.7 45.5 1.0 CD2 A:HIS46 4.7 50.8 1.0 CB A:ASN47 4.7 43.5 1.0 CG A:HIS46 4.9 49.5 1.0 O A:HOH1011 4.9 33.4 1.0

Mercury binding site 4 out of 6 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 Mercury with other atoms in the Hg binding site number 4 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:Hg1002 b:50.6 occ:1.00 NE1 B:TRP41 2.3 35.3 1.0 CD1 B:TRP41 3.1 32.0 1.0 O B:HOH1012 3.2 35.9 1.0 CE2 B:TRP41 3.3 31.1 1.0 CZ2 B:TRP41 3.8 29.2 1.0 CL B:CL1007 4.2 38.1 1.0 O B:GLY39 4.2 58.2 1.0 HG A:HG1004 4.2 78.8 1.0 CG B:TRP41 4.3 31.9 1.0 CD2 B:TRP41 4.4 28.4 1.0 O A:HOH1049 4.5 58.2 1.0 O B:HOH1052 4.5 54.9 1.0 CA B:GLY40 4.9 48.0 1.0

Mercury binding site 5 out of 6 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 Mercury with other atoms in the Hg binding site number 5 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:Hg1005 b:0.1 occ:1.00 CD2 B:HIS46 2.6 49.8 1.0 CG B:HIS46 3.3 41.4 1.0 NE2 B:HIS46 3.3 46.8 1.0 O B:HIS46 3.5 54.6 1.0 CB B:HIS46 3.8 40.7 1.0 O B:HOH1014 3.8 48.1 1.0 O B:SER24 4.0 41.6 1.0 C B:HIS46 4.1 51.2 1.0 O B:HOH1015 4.1 41.5 1.0 CB B:ASN47 4.1 61.4 1.0 ND1 B:HIS46 4.2 44.9 1.0 CE1 B:HIS46 4.2 48.2 1.0 CG B:ASN47 4.4 72.0 1.0 CD1 B:LEU23 4.5 41.2 1.0 CA B:HIS46 4.6 44.0 1.0 OD1 B:ASN47 4.6 75.3 1.0 N B:ASN47 4.8 54.8 1.0 ND2 B:ASN47 5.0 75.6 1.0 CB B:ARG49 5.0 58.1 1.0

Mercury binding site 6 out of 6 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 Mercury with other atoms in the Hg binding site number 6 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:Hg1006 b:83.0 occ:1.00 CE1 B:HIS46 2.2 48.2 1.0 NE2 B:HIS46 3.0 46.8 1.0 ND1 B:HIS46 3.2 44.9 1.0 O B:HOH1008 3.4 17.4 1.0 O B:HOH1036 3.5 54.0 1.0 O B:HOH1056 3.6 63.9 1.0 O B:HOH1044 3.6 50.8 1.0 O B:HOH1063 3.7 90.1 1.0 OD1 B:ASN47 3.7 75.3 1.0 OD1 B:ASP29 3.8 38.7 1.0 CG B:ASP29 4.0 42.4 1.0 CD2 B:HIS46 4.2 49.8 1.0 CG B:HIS46 4.3 41.4 1.0 CB B:ASP29 4.5 36.9 1.0 OD2 B:ASP29 4.5 42.8 1.0 O B:HOH1015 4.5 41.5 1.0 CA B:ASP29 4.6 32.8 1.0 O B:HOH1055 4.7 57.8 1.0 N B:VAL30 4.7 35.6 1.0 CG B:ASN47 4.9 72.0 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