Calcium in PDB 4pcr: Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba)

The structure of Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba), PDB code: 4pcr was solved by P.Delatorre, B.A.M.Rocha, J.C.Silva-Filho, C.S.Teixeira, B.S.Cavada, K.S.Nascimento, R.B.Nbrega, C.S.Nagano, A.H.Sampaio, R.B.Leal, I.L.B.Neto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.64 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.410, 72.130, 68.390, 90.00, 124.47, 90.00
R / Rfree (%)	20 / 23.6

The structure of Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba) also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba) (pdb code 4pcr). 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 Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba), PDB code: 4pcr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba)


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 Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:27.1 occ:1.00 O A:HOH446 2.3 43.7 1.0 O A:TYR12 2.3 30.1 1.0 OD1 A:ASN14 2.4 29.8 1.0 O A:HOH444 2.4 38.1 1.0 OD2 A:ASP19 2.4 31.0 1.0 OD1 A:ASP10 2.6 23.1 1.0 OD2 A:ASP10 2.7 28.1 1.0 CG A:ASP10 3.0 25.5 1.0 CG A:ASP19 3.5 32.6 1.0 CG A:ASN14 3.5 37.8 1.0 C A:TYR12 3.6 31.2 1.0 OD1 A:ASP19 3.9 23.2 1.0 N A:ASN14 4.0 32.3 1.0 MN A:MN302 4.2 23.0 1.0 CB A:ASN14 4.2 32.1 1.0 O A:HOH422 4.4 33.5 1.0 CA A:TYR12 4.5 28.9 1.0 N A:PRO13 4.5 28.6 1.0 CB A:ASP10 4.5 20.1 1.0 CE1 A:HIS24 4.5 26.2 1.0 O A:ARG228 4.6 32.2 1.0 ND2 A:ASN14 4.6 33.1 1.0 CA A:PRO13 4.6 31.2 1.0 CB A:TYR12 4.6 32.0 1.0 OD2 A:ASP208 4.6 23.6 1.0 N A:TYR12 4.6 22.0 1.0 C A:PRO13 4.6 29.5 1.0 CB A:ARG228 4.7 30.3 1.0 CA A:ASN14 4.8 30.8 1.0 CB A:ASP19 4.8 33.8 1.0 CA A:ARG228 4.8 30.2 1.0 O A:ASP208 4.8 30.6 1.0 NE2 A:HIS24 4.9 28.5 1.0 CD2 A:TYR12 4.9 39.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba)


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 Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca301 b:27.1 occ:1.00 O D:HOH447 2.0 42.5 1.0 O D:HOH448 2.2 44.0 1.0 OD1 D:ASN14 2.4 27.4 1.0 OD2 D:ASP10 2.5 27.4 1.0 O D:TYR12 2.6 32.6 1.0 OD2 D:ASP19 2.6 28.7 1.0 OD1 D:ASP10 2.8 21.8 1.0 CG D:ASP10 3.0 24.0 1.0 CG D:ASN14 3.5 32.9 1.0 CG D:ASP19 3.6 32.4 1.0 C D:TYR12 3.8 30.4 1.0 OD1 D:ASP19 4.0 26.5 1.0 MN D:MN302 4.0 24.9 1.0 N D:ASN14 4.1 26.8 1.0 CB D:ASN14 4.2 27.7 1.0 CB D:ASP10 4.4 22.6 1.0 O D:HOH423 4.5 37.5 1.0 O D:ARG228 4.5 32.1 1.0 CB D:ARG228 4.6 32.6 1.0 ND2 D:ASN14 4.6 25.8 1.0 CE1 D:HIS24 4.6 22.8 1.0 OD2 D:ASP208 4.7 26.3 1.0 CA D:TYR12 4.7 28.2 1.0 CA D:ARG228 4.7 29.9 1.0 N D:PRO13 4.8 25.0 1.0 N D:TYR12 4.8 26.8 1.0 CA D:ASN14 4.8 25.8 1.0 O D:ASP208 4.8 30.1 1.0 CB D:TYR12 4.8 31.2 1.0 CA D:PRO13 4.8 27.4 1.0 C D:PRO13 4.8 24.1 1.0 CB D:ASP19 4.8 33.2 1.0 NE2 D:HIS24 4.9 29.0 1.0

P.Delatorre, B.A.M.Rocha, J.C.Silva-Filho, C.S.Teixeira, B.S.Cavada, K.S.Nascimento, R.B.Nbrega, C.S.Nagano, A.H.Sampaio, R.B.Leal, I.L.B.Neto. Crystal Structure of Canavalia Brasiliensis Seed Lectin (Conbr) Complexed with Gamma-Aminobutyric Acid (Gaba) To Be Published.