Chlorine in PDB 5xwe: Structure of A Three Finger Toxin From Ophiophagus Hannah Venom

The structure of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom, PDB code: 5xwe was solved by C.Jobichen, A.Roy, R.M.Kini, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.93 / 1.80
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.480, 18.183, 77.190, 90.00, 104.75, 90.00
R / Rfree (%)	24.5 / 28.3

The structure of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom (pdb code 5xwe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom, PDB code: 5xwe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:42.0 occ:1.00 O A:HOH221 2.2 30.1 1.0 O A:HOH207 2.3 28.0 1.0 NZ A:LYS45 2.4 26.3 1.0 O B:HOH229 2.9 29.6 1.0 CL A:CL103 3.1 31.0 1.0 CE A:LYS45 3.4 25.9 1.0 O A:CYS43 4.0 23.3 1.0 N A:CYS43 4.3 18.9 1.0 CL A:CL102 4.3 34.1 1.0 CB A:CYS43 4.5 20.4 1.0 CD A:LYS45 4.7 23.9 1.0 CG A:LYS45 4.7 26.5 1.0 CA A:CYS43 4.8 18.6 1.0 C A:CYS43 4.8 21.2 1.0

Chlorine binding site 2 out of 5 in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:34.1 occ:1.00 OE2 A:GLU21 2.6 28.0 1.0 O A:HOH221 2.7 30.1 1.0 CD A:GLU21 3.2 29.0 1.0 CG A:GLU21 3.3 26.8 1.0 CA A:GLY42 4.0 20.4 1.0 O A:HOH207 4.2 28.0 1.0 OE1 A:GLU21 4.3 26.0 1.0 CL A:CL103 4.3 31.0 1.0 CL A:CL101 4.3 42.0 1.0 CB A:GLU21 4.4 28.4 1.0 O A:HOH201 4.6 54.0 1.0 N A:CYS43 4.8 18.9 1.0 N A:GLY42 4.9 19.6 1.0

Chlorine binding site 3 out of 5 in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:31.0 occ:1.00 O B:HOH229 2.3 29.6 1.0 OD1 A:ASP22 2.6 31.9 1.0 O A:HOH221 2.7 30.1 1.0 CL A:CL101 3.1 42.0 1.0 N A:ASP22 3.5 27.6 1.0 CG A:ASP22 3.8 28.8 1.0 N A:ALA23 3.9 19.4 1.0 CA A:GLU21 4.0 28.3 1.0 CG A:GLU21 4.0 26.8 1.0 CB A:ALA23 4.2 17.9 1.0 C A:GLU21 4.2 29.1 1.0 CL A:CL102 4.3 34.1 1.0 CA A:GLY42 4.3 20.4 1.0 CA A:ASP22 4.5 23.9 1.0 O A:GLY20 4.5 22.4 1.0 OD2 A:ASP22 4.6 35.0 1.0 C A:ASP22 4.6 20.0 1.0 CA A:ALA23 4.6 18.7 1.0 CB A:GLU21 4.6 28.4 1.0 N A:CYS43 4.7 18.9 1.0 CB A:ASP22 4.8 25.8 1.0 C A:GLY42 4.8 18.6 1.0

Chlorine binding site 4 out of 5 in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:35.5 occ:1.00 ZN B:ZN104 2.0 14.5 1.0 O B:HOH230 2.6 27.3 1.0 O B:HOH228 2.9 28.0 1.0 CL B:CL103 3.1 29.9 1.0 N B:ARG1 3.1 25.1 1.0 CA B:ARG1 3.6 20.8 1.0 OD1 B:ASP58 3.7 21.4 1.0 OD2 B:ASP58 3.7 28.4 1.0 NH1 B:ARG1 4.1 23.6 1.0 CG B:ASP58 4.2 23.4 1.0 C B:ARG1 4.4 21.3 1.0 N B:ILE2 4.7 22.1 1.0 CB B:ARG1 4.9 21.0 1.0

Chlorine binding site 5 out of 5 in the Structure of A Three Finger Toxin From Ophiophagus Hannah Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of A Three Finger Toxin From Ophiophagus Hannah Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:29.9 occ:1.00 ZN B:ZN104 2.0 14.5 1.0 OD2 B:ASP58 2.6 28.4 1.0 CL B:CL102 3.1 35.5 1.0 CG B:ASP58 3.3 23.4 1.0 OD1 B:ASP58 3.4 21.4 1.0 NH1 B:ARG1 3.4 23.6 1.0 O B:HOH228 4.4 28.0 1.0 CB B:ASP58 4.6 22.9 1.0 CZ B:ARG1 4.7 20.6 1.0

C.Jobichen, A.Roy, R.M.Kin, J.Sivaraman. Structure of A Three Finger Toxin From Ophiophagus Hannah Venom To Be Published.