Chlorine in PDB 2gxa: Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp

The structure of Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp, PDB code: 2gxa was solved by E.J.Enemark, L.Joshua-Tor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.65 / 3.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	100.510, 100.881, 125.023, 92.60, 111.46, 106.01
R / Rfree (%)	23.9 / 29.8

The structure of Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Chlorine atom in the Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp (pdb code 2gxa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp, PDB code: 2gxa:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl41 b:70.2 occ:1.00 NZ A:LYS439 2.9 42.8 1.0 NH2 B:ARG538 3.6 53.4 1.0 O3B A:ADP1 3.7 31.4 1.0 OD2 A:ASP479 3.8 67.0 1.0 O A:HOH578 3.8 25.3 1.0 CA A:PRO435 3.9 25.3 1.0 MG A:MG21 4.0 25.3 1.0 CG A:PRO435 4.2 25.3 1.0 CD A:PRO435 4.2 25.3 1.0 N A:PRO435 4.2 25.3 1.0 O2B A:ADP1 4.3 31.4 1.0 CE A:LYS439 4.3 42.8 1.0 OD1 A:ASP479 4.4 67.0 1.0 O A:GLY433 4.4 33.3 1.0 CG A:ASP479 4.5 67.0 1.0 CB A:PRO435 4.5 25.3 1.0 PB A:ADP1 4.6 31.4 1.0 CB A:ASN523 4.6 98.7 1.0 C A:PRO434 4.7 25.3 1.0 CZ B:ARG538 4.8 53.4 1.0 O A:PRO434 4.8 25.3 1.0 NZ B:LYS425 4.9 25.3 1.0 N A:ASN523 4.9 35.5 1.0 CA A:ASN523 4.9 35.5 1.0 O1B A:ADP1 5.0 31.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl42 b:73.9 occ:1.00 NZ B:LYS439 2.8 55.7 1.0 ND2 B:ASN523 2.9 0.1 1.0 O3B B:ADP2 3.5 55.5 1.0 CG B:ASN523 3.7 0.1 1.0 OD2 B:ASP479 3.7 88.8 1.0 CA B:PRO435 3.8 27.1 1.0 NH2 C:ARG538 3.9 37.9 1.0 OD1 B:ASN523 4.0 0.1 1.0 MG B:MG22 4.0 25.3 1.0 O B:HOH4 4.1 27.2 1.0 CE B:LYS439 4.1 55.7 1.0 OD1 B:ASP479 4.1 88.8 1.0 N B:PRO435 4.2 27.1 1.0 O2B B:ADP2 4.2 55.5 1.0 CB B:PRO435 4.3 46.0 1.0 O B:GLY433 4.3 43.6 1.0 CG B:ASP479 4.3 88.8 1.0 PB B:ADP2 4.5 55.5 1.0 C B:PRO434 4.6 27.4 1.0 CB B:ASN523 4.8 0.1 1.0 O B:PRO434 4.8 27.4 1.0 N B:ASN523 4.8 73.8 1.0 CD B:PRO435 4.8 46.0 1.0 CZ C:ARG538 4.9 37.9 1.0 CA B:ASN523 4.9 73.8 1.0 NH1 C:ARG538 4.9 37.9 1.0 C B:PRO435 4.9 27.1 1.0 N B:ASN436 4.9 72.1 1.0 C B:SER522 5.0 51.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Papillomavirus E1 Hexameric Helicase with Ssdna and Mgadp within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl48 b:80.2 occ:1.00 NZ H:LYS439 2.9 60.7 1.0 ND2 H:ASN523 3.0 0.1 1.0 O3B H:ADP8 3.4 70.0 1.0 O H:HOH13 3.4 27.9 1.0 MG H:MG28 3.4 25.3 1.0 OD2 H:ASP479 3.5 0.4 1.0 CA H:PRO435 3.6 56.1 1.0 CG H:ASN523 3.8 0.1 1.0 NH2 I:ARG538 3.9 49.7 1.0 OD1 H:ASN523 3.9 0.1 1.0 CB H:PRO435 3.9 0.5 1.0 OD1 H:ASP479 4.0 0.4 1.0 CG H:ASP479 4.2 0.4 1.0 CE H:LYS439 4.2 60.7 1.0 N H:PRO435 4.2 56.1 1.0 PB H:ADP8 4.4 70.0 1.0 O2B H:ADP8 4.4 70.0 1.0 NZ I:LYS425 4.6 56.3 1.0 O1B H:ADP8 4.7 70.0 1.0 C H:PRO434 4.7 84.8 1.0 O H:GLY433 4.7 67.8 1.0 C H:PRO435 4.7 56.1 1.0 O H:PRO434 4.7 84.8 1.0 N H:ASN436 4.8 94.5 1.0 CD H:PRO435 4.8 0.5 1.0 CZ I:ARG538 4.9 49.7 1.0

E.J.Enemark, L.Joshua-Tor. Mechanism of Dna Translocation in A Replicative Hexameric Helicase. Nature V. 442 270 2006.
ISSN: ISSN 0028-0836
PubMed: 16855583
DOI: 10.1038/NATURE04943