Chlorine in PDB 7uod: Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid, PDB code: 7uod was solved by J.P.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)	33.75 / 1.60
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	68.182, 71.83, 98.809, 90, 90, 90
R / Rfree (%)	19.9 / 22.7

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic 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 2,4-Dichloro-Phenoxyacetic Acid (pdb code 7uod). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid, PDB code: 7uod:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic 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 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:49.6 occ:1.00 O A:HOH539 2.8 50.1 1.0 N A:ALA236 3.5 22.9 1.0 O A:HOH462 3.6 38.1 1.0 CA A:ASP235 3.9 24.5 1.0 CB A:ASP235 4.0 23.0 1.0 CB A:ALA236 4.1 30.8 1.0 C A:ASP235 4.2 30.3 1.0 NH2 A:ARG228 4.3 30.0 1.0 CA A:ALA236 4.4 29.0 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic 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 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:51.6 occ:1.00 CB A:ASP16 3.4 41.2 1.0 CA A:ASN14 3.5 20.0 1.0 CG A:ASP16 3.6 51.4 1.0 NH1 A:ARG228 3.6 30.8 1.0 CB A:ASN14 3.6 19.0 1.0 ND2 A:ASN14 3.7 23.0 1.0 N A:ASP16 3.8 25.5 1.0 O A:HOH408 3.8 33.6 1.0 C A:ASN14 3.8 21.9 1.0 OD1 A:ASP16 3.9 58.2 1.0 N A:THR15 4.1 27.4 1.0 OD2 A:ASP16 4.1 48.6 1.0 CA A:ASP16 4.2 33.8 1.0 CG A:ASN14 4.2 23.1 1.0 O A:ASN14 4.4 21.5 1.0 C A:THR15 4.9 28.0 1.0 N A:ILE17 4.9 32.0 1.0 CZ A:ARG228 4.9 26.5 1.0 N A:ASN14 4.9 20.1 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid


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 Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:107.6 occ:1.00 CL3 B:CFA305 0.0 107.6 1.0 C2' B:CFA305 1.8 93.6 1.0 C3' B:CFA305 2.7 89.3 1.0 C1' B:CFA305 2.8 93.8 1.0 O1' B:CFA305 3.0 89.1 1.0 O B:HOH478 3.3 47.9 1.0 C4' B:CFA305 4.0 87.8 1.0 C6' B:CFA305 4.0 82.1 1.0 O2 B:CFA305 4.2 70.1 1.0 C2 B:CFA305 4.3 80.1 1.0 C5' B:CFA305 4.5 86.0 1.0 C1 B:CFA305 4.6 72.7 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid


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 A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:96.7 occ:1.00 CL4 B:CFA305 0.0 96.7 1.0 C4' B:CFA305 1.8 87.8 1.0 C3' B:CFA305 2.8 89.3 1.0 C5' B:CFA305 2.8 86.0 1.0 OG1 B:THR49 3.2 24.3 1.0 O B:HOH456 4.0 28.2 1.0 C2' B:CFA305 4.0 93.6 1.0 C6' B:CFA305 4.1 82.1 1.0 CB B:THR49 4.1 21.6 1.0 CG2 B:THR49 4.4 19.5 1.0 C1' B:CFA305 4.6 93.8 1.0 CG2 B:THR196 4.9 15.5 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid


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 A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:62.6 occ:1.00 O B:HOH493 3.5 46.4 1.0 N B:ALA236 3.6 31.3 1.0 CA B:ASP235 4.0 30.3 1.0 CB B:ASP235 4.1 35.9 1.0 CB B:ALA236 4.2 31.4 1.0 NH2 B:ARG228 4.2 39.8 1.0 C B:ASP235 4.3 42.9 1.0 CA B:ALA236 4.5 31.3 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid


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 A Lectin From Canavalia Maritima Seed (Conm) Complexed with 2,4-Dichloro-Phenoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:52.5 occ:1.00 CB B:ASP16 3.2 54.8 1.0 CA B:ASN14 3.5 30.8 1.0 CB B:ASN14 3.6 28.4 1.0 ND2 B:ASN14 3.7 31.1 1.0 N B:ASP16 3.9 40.3 1.0 C B:ASN14 3.9 32.1 1.0 NH1 B:ARG228 4.2 35.1 1.0 CG B:ASN14 4.2 37.5 1.0 N B:THR15 4.2 35.5 1.0 CG B:ASP16 4.2 57.1 1.0 CA B:ASP16 4.2 41.6 1.0 OD2 B:ASP16 4.5 60.0 1.0 O B:ASN14 4.7 29.1 1.0 O B:PRO13 4.7 29.8 1.0 N B:ASN14 4.8 26.3 1.0 OD1 B:ASP16 5.0 58.6 1.0

J.P.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.