Calcium 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:

Chlorine	(Cl)	2 atoms
Manganese	(Mn)	2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca301 b:30.0 occ:1.00 O A:HOH490 2.2 27.3 1.0 O A:HOH484 2.3 33.2 1.0 O A:TYR12 2.4 32.2 1.0 OD2 A:ASP19 2.4 31.0 1.0 OD1 A:ASN14 2.5 35.7 1.0 OD2 A:ASP10 2.6 25.7 1.0 OD1 A:ASP10 2.6 27.0 1.0 CG A:ASP10 2.9 31.3 1.0 CG A:ASP19 3.5 36.5 1.0 C A:TYR12 3.6 32.3 1.0 CG A:ASN14 3.6 39.7 1.0 OD1 A:ASP19 3.9 28.9 1.0 N A:ASN14 4.0 32.1 1.0 MN A:MN302 4.1 36.5 1.0 CB A:ASN14 4.3 38.2 1.0 CE1 A:HIS24 4.4 30.9 1.0 CB A:ASP10 4.4 24.9 1.0 CA A:TYR12 4.4 31.1 1.0 O A:HOH432 4.4 30.8 1.0 N A:TYR12 4.5 29.4 1.0 N A:PRO13 4.5 31.5 1.0 CA A:PRO13 4.6 32.5 1.0 CB A:TYR12 4.6 26.2 1.0 C A:PRO13 4.6 38.2 1.0 CB A:ARG228 4.7 34.1 1.0 CB A:ASP19 4.7 33.2 1.0 ND2 A:ASN14 4.7 34.0 1.0 O A:ASP208 4.7 23.5 1.0 CA A:ASN14 4.7 38.5 1.0 O A:ARG228 4.8 29.7 1.0 CA A:ARG228 4.8 33.4 1.0 NE2 A:HIS24 4.9 25.7 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca301 b:20.6 occ:1.00 O B:HOH481 2.3 22.4 1.0 OD1 B:ASP10 2.4 17.9 1.0 O B:HOH493 2.4 25.8 1.0 O B:TYR12 2.4 25.9 1.0 OD2 B:ASP19 2.4 26.2 1.0 OD2 B:ASP10 2.4 17.4 1.0 OD1 B:ASN14 2.5 24.4 1.0 CG B:ASP10 2.7 20.1 1.0 CG B:ASP19 3.5 27.2 1.0 CG B:ASN14 3.6 29.0 1.0 C B:TYR12 3.6 22.5 1.0 N B:ASN14 4.0 26.0 1.0 OD1 B:ASP19 4.0 23.5 1.0 MN B:MN302 4.1 24.1 1.0 CB B:ASN14 4.1 29.2 1.0 CB B:ASP10 4.2 18.7 1.0 O B:HOH426 4.3 20.6 1.0 CA B:TYR12 4.4 24.5 1.0 N B:TYR12 4.4 20.6 1.0 N B:PRO13 4.6 27.1 1.0 CB B:TYR12 4.6 19.1 1.0 CE1 B:HIS24 4.6 17.4 1.0 CA B:PRO13 4.6 25.4 1.0 C B:PRO13 4.7 30.1 1.0 CA B:ASN14 4.7 29.9 1.0 O B:ASP208 4.7 16.3 1.0 CB B:ARG228 4.7 25.3 1.0 ND2 B:ASN14 4.7 26.9 1.0 O B:ARG228 4.7 21.9 1.0 CB B:ASP19 4.8 24.5 1.0 CA B:ARG228 4.8 21.7 1.0 NE2 B:HIS24 4.9 21.4 1.0 CD2 B:TYR12 5.0 27.4 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.