Chlorine in PDB 7un2: Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid, PDB code: 7un2 was solved by J.P.De Sousa, E.H.S.Bezerra, M.V.Sales, P.P.Queiroz, F.M.S.Da Silva, C.P.S.Carvalho, V.N.Freire, B.A.M.Rocha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.99 / 1.80
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.99, 71.843, 98.868, 90, 90, 90
R / Rfree (%)	20.3 / 23.3

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Manganese	(Mn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid (pdb code 7un2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid, PDB code: 7un2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid


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 Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:61.0 occ:1.00 O A:HOH512 3.0 49.9 1.0 N A:ALA236 3.5 44.1 1.0 O A:HOH469 3.8 40.2 1.0 CB A:ALA236 3.8 43.1 1.0 CA A:ASP235 3.9 40.7 1.0 CB A:ASP235 4.1 42.9 1.0 C A:ASP235 4.2 43.1 1.0 NH2 A:ARG228 4.2 48.8 1.0 CA A:ALA236 4.3 40.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid


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 Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:45.7 occ:1.00 N B:ALA236 3.5 29.0 1.0 O B:HOH450 3.6 36.8 1.0 CA B:ASP235 3.9 25.6 1.0 CB B:ASP235 4.0 29.7 1.0 CB B:ALA236 4.0 35.8 1.0 C B:ASP235 4.2 30.4 1.0 NH2 B:ARG228 4.2 38.4 1.0 CA B:ALA236 4.4 30.9 1.0

J.P.De Sousa, E.H.S.Bezerra, M.V.Sales, P.P.Queiroz, F.M.S.Da Silva, C.P.S.Carvalho, V.N.Freire, B.A.M.Rocha. Structural Analysis of Canavalia Maritima Lectin Complexed with Auxins To Be Published.