Chlorine in PDB 3fyb: Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis

The structure of Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis, PDB code: 3fyb was solved by A.U.Singer, E.Evdokimova, O.Kagan, A.M.Edwards, A.Joachimiak, A.Savchenko, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.19 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.501, 69.536, 81.921, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.1

The structure of Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis (pdb code 3fyb). 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 A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis, PDB code: 3fyb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis


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 A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:17.9 occ:1.00 N A:ASN32 3.1 11.8 1.0 O A:HOH113 3.1 25.2 1.0 O A:HOH116 3.2 14.1 1.0 NE2 A:GLN83 3.2 17.9 1.0 CG A:GLN83 3.6 16.1 1.0 CZ3 A:TRP78 3.6 13.9 1.0 CH2 A:TRP78 3.7 14.7 1.0 CA A:GLN31 3.8 13.1 1.0 ND2 A:ASN32 3.9 12.3 1.0 CG A:ASN32 3.9 11.6 1.0 CD A:GLN83 3.9 18.6 1.0 CB A:ASN32 3.9 12.5 1.0 C A:GLN31 3.9 12.2 1.0 CA A:ASN32 4.1 11.3 1.0 O A:HOH175 4.1 39.5 1.0 CB A:GLN31 4.2 12.3 1.0 OD1 A:ASN32 4.5 11.8 1.0 CB A:GLN83 4.5 14.3 1.0 CG A:GLN31 4.5 14.2 1.0 NH1 A:ARG43 4.6 11.7 1.0 O A:VAL30 4.7 13.9 1.0 CA A:GLN83 4.9 14.5 1.0 CE3 A:TRP78 5.0 15.1 1.0 CZ2 A:TRP78 5.0 17.4 1.0 O A:HOH235 5.0 36.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis


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 A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:17.5 occ:1.00 NE2 A:GLN83 3.0 17.9 1.0 ND2 A:ASN44 3.2 15.6 1.0 ND2 A:ASN32 3.3 12.3 1.0 CZ A:PHE75 3.8 13.2 1.0 O A:HOH134 3.9 20.8 1.0 CD A:GLN83 4.1 18.6 1.0 CB A:ASN32 4.1 12.5 1.0 CG A:ASN32 4.2 11.6 1.0 CE1 A:PHE75 4.2 13.0 1.0 CG A:ASN44 4.3 12.3 1.0 OE1 A:GLN83 4.3 20.5 1.0 OD1 A:ASN44 4.5 11.5 1.0 OH A:TYR71 4.6 11.4 1.0 O A:HOH148 4.9 17.5 1.0 CE2 A:PHE75 4.9 12.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis


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 A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:37.1 occ:1.00 N B:ASN32 2.9 20.1 1.0 OE1 B:GLN31 3.0 22.7 0.6 NE2 B:GLN83 3.1 25.9 1.0 O B:HOH148 3.3 26.9 1.0 CA B:GLN31 3.5 20.8 0.6 CZ3 B:TRP78 3.6 15.8 1.0 CH2 B:TRP78 3.6 15.6 1.0 CA B:GLN31 3.6 20.3 0.4 CB B:ASN32 3.6 20.0 1.0 CD B:GLN31 3.7 21.8 0.6 CG B:GLN83 3.7 23.0 1.0 C B:GLN31 3.7 20.3 0.6 C B:GLN31 3.7 20.1 0.4 CB B:GLN31 3.8 21.2 0.6 CG B:ASN32 3.8 18.4 1.0 CA B:ASN32 3.8 20.2 1.0 ND2 B:ASN32 3.8 13.8 1.0 CD B:GLN83 3.9 25.5 1.0 CB B:GLN31 4.1 20.3 0.4 CG B:GLN31 4.3 21.5 0.6 OD1 B:ASN32 4.4 15.4 1.0 CB B:GLN83 4.4 20.1 1.0 NE2 B:GLN31 4.4 21.1 0.6 NH1 B:ARG43 4.6 8.7 1.0 CA B:GLN83 4.7 19.7 1.0 CG B:GLN31 4.8 19.7 0.4 N B:ILE33 4.8 21.5 1.0 O B:HOH178 4.8 21.1 1.0 O B:VAL30 4.8 20.5 1.0 N B:GLN31 4.8 20.9 0.6 CE3 B:TRP78 4.9 16.1 1.0 C B:ASN32 4.9 20.8 1.0 CZ2 B:TRP78 4.9 16.8 1.0 N B:GLN31 4.9 20.7 0.4 O B:GLN31 4.9 19.9 0.6 O B:GLN31 4.9 19.8 0.4

A.U.Singer, E.Evdokimova, O.Kagan, A.M.Edwards, A.Joachimiak, A.Savchenko. Crystal Structure of A Protein of Unknown Function (DUF1244) From Alcanivorax Borkumensis To Be Published.