Chlorine in PDB 2wql: Crystal Structure of the Major Carrot Allergen Dau C 1

The structure of Crystal Structure of the Major Carrot Allergen Dau C 1, PDB code: 2wql was solved by Z.Markovic-Housley, A.Basle, S.Padavattan, K.Hoffmann-Sommergruber, T.Schirmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.70
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	189.948, 189.948, 189.948, 90.00, 90.00, 90.00
R / Rfree (%)	22.149 / 23.734

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Major Carrot Allergen Dau C 1 (pdb code 2wql). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of the Major Carrot Allergen Dau C 1, PDB code: 2wql:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


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 the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:31.9 occ:1.00 ND1 A:HIS121 3.4 26.4 1.0 CE1 A:HIS121 4.1 27.1 1.0 CB A:ALA3 4.4 24.2 1.0 CG A:HIS121 4.5 26.1 1.0 CB A:HIS121 4.8 25.7 1.0 CA A:HIS121 5.0 25.6 1.0

Chlorine binding site 2 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


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 the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:34.2 occ:1.00 CD A:LYS18 3.6 30.1 1.0 OG A:SER15 3.6 23.2 1.0 CB A:SER15 3.8 23.2 1.0 N A:SER15 3.9 24.0 1.0 NZ A:LYS18 4.4 32.4 1.0 CE A:LYS18 4.5 31.4 1.0 CA A:SER15 4.5 23.5 1.0 CG1 A:VAL14 4.6 23.6 1.0 CB A:LYS18 4.7 25.3 1.0 CG A:LYS18 4.8 27.6 1.0 CA A:VAL14 4.9 24.0 1.0 C A:VAL14 4.9 24.1 1.0

Chlorine binding site 3 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


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 the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:53.6 occ:1.00 ND1 A:HIS6 3.3 27.8 1.0 N A:SER7 3.7 24.9 1.0 CA A:HIS6 3.8 24.9 1.0 CE1 A:HIS6 4.0 28.7 1.0 CG A:HIS6 4.2 26.0 1.0 C A:HIS6 4.3 24.9 1.0 CB A:HIS6 4.4 25.1 1.0 O A:SER5 4.4 24.3 1.0 OG A:SER7 4.4 26.5 1.0 O A:SER7 4.5 24.9 1.0 CA A:SER7 4.8 25.4 1.0 N A:HIS6 4.9 24.6 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:47.9 occ:1.00 N A:SER5 3.6 24.4 1.0 CA A:GLN4 3.9 24.2 1.0 O A:SER5 4.0 24.3 1.0 CG A:GLN4 4.1 23.7 1.0 C A:GLN4 4.3 24.2 1.0 CB A:GLN4 4.4 24.1 1.0 OG A:SER5 4.6 25.2 1.0 CA A:SER5 4.7 24.7 1.0 C A:SER5 4.8 24.5 1.0 N A:GLN4 4.9 24.4 1.0 O A:ALA3 4.9 24.6 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl300 b:32.4 occ:1.00 ND1 B:HIS121 3.4 26.4 1.0 CE1 B:HIS121 4.2 27.0 1.0 CG B:HIS121 4.4 26.1 1.0 CB B:ALA3 4.5 24.2 1.0 CB B:HIS121 4.7 25.7 1.0 CA B:HIS121 4.8 25.6 1.0

Chlorine binding site 6 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:34.1 occ:1.00 CD B:LYS18 3.6 30.1 1.0 OG B:SER15 3.7 23.0 1.0 N B:SER15 3.8 23.9 1.0 CB B:SER15 3.8 23.1 1.0 NZ B:LYS18 4.3 32.4 1.0 CE B:LYS18 4.4 31.4 1.0 CA B:SER15 4.5 23.4 1.0 CG1 B:VAL14 4.5 23.5 1.0 CB B:LYS18 4.6 25.3 1.0 CG B:LYS18 4.7 27.5 1.0 CA B:VAL14 4.8 24.1 1.0 C B:VAL14 4.8 24.1 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:60.5 occ:1.00 N B:SER7 3.7 24.9 1.0 ND1 B:HIS6 3.9 27.7 1.0 CA B:HIS6 4.0 24.9 1.0 OG B:SER7 4.1 27.2 1.0 C B:HIS6 4.4 24.7 1.0 O B:SER5 4.5 24.3 1.0 CE1 B:HIS6 4.6 28.7 1.0 CG B:HIS6 4.6 25.9 1.0 O B:SER7 4.7 25.0 1.0 CA B:SER7 4.8 25.3 1.0 CB B:HIS6 4.8 25.1 1.0 CB B:SER7 4.9 25.6 1.0 N B:HIS6 4.9 24.6 1.0

Chlorine binding site 8 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:56.7 occ:1.00 N B:SER5 3.3 24.5 1.0 CA B:GLN4 3.7 24.1 1.0 O B:SER5 4.0 24.3 1.0 C B:GLN4 4.0 24.3 1.0 OG B:SER5 4.0 25.3 1.0 O B:ALA3 4.3 24.7 1.0 CG B:GLN4 4.4 23.7 1.0 CA B:SER5 4.4 24.6 1.0 CB B:GLN4 4.5 24.0 1.0 C B:SER5 4.6 24.4 1.0 N B:GLN4 4.6 24.3 1.0 CB B:SER5 4.7 24.7 1.0 C B:ALA3 4.8 24.6 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl300 b:32.7 occ:1.00 ND1 C:HIS121 3.5 26.6 1.0 CE1 C:HIS121 4.2 27.1 1.0 CB C:ALA3 4.2 24.1 1.0 CG C:HIS121 4.6 26.0 1.0 CB C:HIS121 4.8 25.6 1.0 O C:HOH2003 4.9 25.1 1.0 CA C:HIS121 5.0 25.7 1.0

Chlorine binding site 10 out of 16 in the Crystal Structure of the Major Carrot Allergen Dau C 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Major Carrot Allergen Dau C 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:34.1 occ:1.00 OG C:SER15 3.6 23.3 1.0 CD C:LYS18 3.7 30.0 1.0 CB C:SER15 3.7 23.3 1.0 N C:SER15 3.8 24.0 1.0 CA C:SER15 4.4 23.5 1.0 CG1 C:VAL14 4.5 23.6 1.0 NZ C:LYS18 4.5 32.3 1.0 CE C:LYS18 4.6 31.5 1.0 CB C:LYS18 4.7 25.4 1.0 C C:VAL14 4.7 24.1 1.0 CA C:VAL14 4.8 24.0 1.0 CG C:LYS18 4.8 27.6 1.0

Z.Markovic-Housley, A.Basle, S.Padavattan, B.Maderegger, T.Schirmer, K.Hoffmann-Sommergruber. Structure of the Major Carrot Allergen Dau C 1. Acta Crystallogr.,Sect.D V. 65 1206 2009.
ISSN: ISSN 0907-4449
PubMed: 19923716
DOI: 10.1107/S0907444909034854