Chlorine in PDB 7r5z: Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)

The structure of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1), PDB code: 7r5z was solved by N.Huwa, T.Classen, O.H.Weiergraeber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.68 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.99, 87.36, 93.73, 90, 90, 90
R / Rfree (%)	19.1 / 22.9

The structure of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) (pdb code 7r5z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1), PDB code: 7r5z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:40.1 occ:1.00 O A:HOH324 3.1 38.4 1.0 O A:HOH348 3.2 53.8 1.0 N A:TRP85 3.3 37.1 1.0 CB A:ALA84 3.5 40.0 1.0 CD1 A:TRP85 3.7 32.3 1.0 CA A:ALA84 3.8 38.3 1.0 CA A:ILE109 3.8 36.2 1.0 CG1 A:ILE109 3.9 42.7 1.0 C A:ALA84 4.0 39.5 1.0 CG2 A:ILE109 4.0 43.3 1.0 CB A:TRP85 4.1 31.5 1.0 CB A:ILE109 4.1 39.9 1.0 CA A:TRP85 4.2 30.1 1.0 CG A:TRP85 4.3 31.5 1.0 N A:ILE109 4.4 33.6 1.0 O A:TRP85 4.7 30.2 1.0 N A:VAL110 4.8 36.4 1.0 O A:HOH337 4.9 42.6 1.0 NE1 A:TRP85 4.9 30.4 1.0 C A:ILE109 4.9 35.9 1.0 O A:HOH340 4.9 50.1 1.0 C A:TRP85 5.0 36.0 1.0

Chlorine binding site 2 out of 5 in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:63.2 occ:1.00 N A:ASN45 3.1 46.3 1.0 CA A:SER44 3.7 48.0 1.0 CB A:ASN45 3.8 56.3 1.0 C A:SER44 3.9 50.9 1.0 CB A:SER44 4.0 59.0 1.0 CG A:ASN45 4.0 54.1 1.0 CA A:ASN45 4.1 43.4 1.0 ND2 A:ASN45 4.1 54.5 1.0 CB A:CYS53 4.1 37.6 1.0 SG A:CYS53 4.2 42.4 1.0 OG A:SER44 4.4 58.7 1.0 O A:HOH338 4.4 44.3 1.0 OD1 A:ASN45 4.6 45.2 1.0 O A:THR43 4.9 43.1 1.0 O A:ASN45 4.9 51.5 1.0

Chlorine binding site 3 out of 5 in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:36.0 occ:0.60 O B:HOH330 2.8 54.3 1.0 O B:HOH326 2.9 47.9 1.0 N B:TRP85 3.1 34.4 1.0 CD1 B:TRP85 3.6 44.9 1.0 CA B:ALA84 3.8 37.6 1.0 CG1 B:ILE109 3.8 40.9 1.0 CB B:ALA84 3.8 38.2 1.0 CB B:TRP85 3.9 35.1 1.0 CA B:ILE109 3.9 38.9 1.0 C B:ALA84 3.9 41.6 1.0 CA B:TRP85 4.1 35.7 1.0 CG B:TRP85 4.1 34.3 1.0 CB B:ILE109 4.2 42.8 1.0 CG2 B:ILE109 4.3 41.5 1.0 N B:ILE109 4.4 30.3 1.0 O B:TRP85 4.6 34.1 1.0 NE1 B:TRP85 4.8 43.5 1.0 C B:TRP85 4.8 34.0 1.0 CD1 B:ILE109 4.9 45.6 1.0 O B:HOH319 4.9 53.4 1.0 N B:VAL110 4.9 39.7 1.0 C B:ILE109 5.0 38.1 1.0

Chlorine binding site 4 out of 5 in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:53.5 occ:1.00 N C:TRP85 3.2 43.1 1.0 O C:HOH327 3.4 48.3 1.0 CB C:ALA84 3.5 38.9 1.0 CD1 C:TRP85 3.7 40.4 1.0 CA C:ALA84 3.8 40.3 1.0 CA C:ILE109 3.8 35.9 1.0 CG1 C:ILE109 3.9 45.5 1.0 CG2 C:ILE109 4.0 40.8 1.0 C C:ALA84 4.0 37.9 1.0 CB C:TRP85 4.0 37.3 1.0 CB C:ILE109 4.1 43.9 1.0 CA C:TRP85 4.2 37.1 1.0 CG C:TRP85 4.2 40.5 1.0 N C:ILE109 4.3 32.7 1.0 O C:TRP85 4.6 38.7 1.0 NE1 C:TRP85 4.8 45.4 1.0 N C:VAL110 4.8 41.0 1.0 C C:ILE109 4.9 41.7 1.0 C C:TRP85 4.9 38.7 1.0 CD1 C:ILE109 4.9 44.6 1.0

Chlorine binding site 5 out of 5 in the Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Monocot Chimeric Jacalin JAC1 From Oryza Sativa: Dirigent Domain (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:56.5 occ:1.00 NE2 C:HIS30 3.1 51.0 1.0 NE2 C:GLN39 3.2 44.8 1.0 NE2 C:HIS79 3.2 38.5 1.0 CE1 C:HIS30 3.8 46.5 1.0 OE1 C:GLN39 3.9 38.2 1.0 CD2 C:HIS79 3.9 33.5 1.0 CD C:GLN39 4.0 44.8 1.0 CD2 C:HIS30 4.2 48.6 1.0 CE1 C:HIS79 4.2 33.7 1.0 CE2 C:TRP85 4.4 39.1 1.0 CZ2 C:TRP85 4.5 45.8 1.0 CG C:PRO32 4.6 68.5 1.0 NE1 C:TRP85 4.6 45.4 1.0 CG2 C:VAL110 4.9 44.4 1.0 CD2 C:TRP85 4.9 38.3 1.0 CH2 C:TRP85 4.9 39.2 1.0

N.Huwa, O.H.Weiergraber, A.V.Fejzagic, C.Kirsch, U.Schaffrath, T.Classen. The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals A Carbohydrate Binding Site on the Dirigent-Like Domain. Biomolecules V. 12 2022.
ISSN: ESSN 2218-273X
PubMed: 36009020
DOI: 10.3390/BIOM12081126