Chlorine in PDB 1eon: Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+

All present enzymatic activity of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+:
3.1.21.4;

The structure of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+, PDB code: 1eon was solved by N.C.Horton, B.A.Connolly, J.J.Perona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	4.80 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.900, 48.600, 63.900, 96.90, 108.90, 106.80
R / Rfree (%)	22.9 / 28.1

The binding sites of Chlorine atom in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+ (pdb code 1eon). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+, PDB code: 1eon:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:27.6 occ:1.00 O A:HOH731 2.4 30.9 1.0 O A:HOH610 2.4 26.2 1.0 O A:HOH605 2.4 26.3 1.0 O A:HOH752 2.4 24.2 1.0 OD1 A:ASP74 2.5 18.2 1.0 OE1 A:GLU45 2.5 31.1 1.0 OE2 A:GLU45 2.6 33.7 1.0 CD A:GLU45 2.9 30.0 1.0 CG A:ASP74 3.4 17.6 1.0 CB A:ASP74 3.9 16.2 1.0 CA A:ASP74 4.1 17.0 1.0 O A:HOH613 4.3 29.6 1.0 O A:HOH690 4.3 28.1 1.0 O A:HOH620 4.3 29.1 1.0 OD2 A:ASP74 4.3 15.5 1.0 CG A:GLU45 4.4 28.7 1.0 O A:HOH769 4.6 31.8 1.0 O A:ASP74 4.6 15.6 1.0 OE2 A:GLU65 4.7 30.2 1.0 O A:HOH691 4.7 48.8 1.0 C A:ASP74 4.8 16.3 1.0

Chlorine binding site 2 out of 4 in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:38.8 occ:1.00 O A:HOH620 2.3 29.1 1.0 O A:HOH613 2.4 29.6 1.0 OD2 A:ASP74 2.4 15.5 1.0 O C:HOH35 2.4 21.3 1.0 O A:ILE91 2.4 16.9 1.0 O C:HOH37 2.4 34.0 1.0 CG A:ASP74 3.2 17.6 1.0 OD1 A:ASP74 3.3 18.2 1.0 C A:ILE91 3.6 17.4 1.0 N A:ILE91 4.0 16.8 1.0 CA A:ILE91 4.1 16.8 1.0 CB A:ILE91 4.2 18.0 1.0 OE1 A:GLU45 4.2 31.1 1.0 O A:HOH603 4.2 31.6 1.0 O C:HOH14 4.3 19.2 1.0 OD2 A:ASP90 4.3 18.7 1.0 OP2 C:DA7 4.4 22.2 1.0 OD1 A:ASP90 4.4 25.5 1.0 C5' C:DA7 4.4 20.8 1.0 O A:HOH770 4.4 48.8 1.0 O3' C:DA7 4.5 17.9 1.0 C4' C:DA7 4.5 20.9 1.0 CG A:ASP90 4.5 20.5 1.0 C3' C:DA7 4.6 20.6 1.0 CB A:ASP74 4.7 16.2 1.0 O A:HOH752 4.7 24.2 1.0 N A:LYS92 4.7 15.9 1.0 CG1 A:ILE91 4.9 21.5 1.0

Chlorine binding site 3 out of 4 in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:55.0 occ:1.00 O B:HOH611 2.4 33.0 1.0 OD2 B:ASP74 2.4 15.3 1.0 O D:HOH285 2.4 38.9 1.0 O D:HOH259 2.5 32.3 1.0 O B:HOH720 2.7 40.5 1.0 O B:ILE91 2.8 16.7 1.0 OD1 B:ASP74 2.9 18.6 1.0 CG B:ASP74 3.0 16.0 1.0 OE2 B:GLU45 3.4 31.7 1.0 O B:HOH717 3.8 32.5 1.0 C B:ILE91 3.9 16.2 1.0 N B:ILE91 4.1 17.1 1.0 CB B:ILE91 4.2 18.7 1.0 O D:HOH304 4.3 37.8 1.0 O B:HOH610 4.3 33.2 1.0 CA B:ILE91 4.3 17.1 1.0 C5' D:DA7 4.3 23.3 1.0 OD1 B:ASP90 4.3 15.0 1.0 O B:HOH705 4.4 43.8 1.0 CD B:GLU45 4.4 28.4 1.0 CB B:ASP74 4.5 14.2 1.0 OP2 D:DA7 4.6 21.2 1.0 CL B:CL503 4.6 36.2 1.0 CG B:ASP90 4.7 17.7 1.0 OD2 B:ASP90 4.8 21.5 1.0 O3' D:DA7 4.8 25.3 1.0 C4' D:DA7 4.9 22.7 1.0 CG1 B:ILE91 4.9 19.5 1.0

Chlorine binding site 4 out of 4 in the Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ecorv Bound to 3'-S-Phosphorothiolate Dna and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:36.2 occ:1.00 O B:HOH706 2.3 36.1 1.0 O B:HOH705 2.4 43.8 1.0 OE1 B:GLU45 2.4 30.9 1.0 O A:HOH730 2.4 43.6 1.0 OD1 B:ASP74 2.5 18.6 1.0 O B:HOH612 2.6 19.1 1.0 OE2 B:GLU45 2.7 31.7 1.0 CD B:GLU45 2.9 28.4 1.0 CG B:ASP74 3.4 16.0 1.0 CB B:ASP74 3.9 14.2 1.0 CA B:ASP74 4.0 17.0 1.0 O B:HOH669 4.1 36.6 1.0 O B:HOH611 4.2 33.0 1.0 O B:HOH717 4.3 32.5 1.0 OD2 B:ASP74 4.3 15.3 1.0 CG B:GLU45 4.4 26.9 1.0 CL B:CL502 4.6 55.0 1.0 O B:ASP74 4.8 16.4 1.0 O B:HOH720 4.8 40.5 1.0 C B:ASP74 4.9 18.1 1.0 OE2 B:GLU65 4.9 30.9 1.0 O B:HOH704 5.0 45.4 1.0 O B:HOH719 5.0 35.2 1.0

N.C.Horton, B.A.Connolly, J.J.Perona. Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High-Resolution X-Ray Crystallographic Study J.Am.Chem.Soc. V. 122 3314 2000.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA993719J