Manganese 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:

Calcium

(Ca)

2 atoms

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

Manganese 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 Manganese with other atoms in the Mn 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:Mn302 b:23.0 occ:1.00 O A:HOH422 2.0 33.5 1.0 O A:HOH441 2.0 32.2 1.0 NE2 A:HIS24 2.1 28.5 1.0 OD2 A:ASP10 2.1 28.1 1.0 OE2 A:GLU8 2.3 18.8 1.0 OD1 A:ASP19 2.3 23.2 1.0 CE1 A:HIS24 3.0 26.2 1.0 CG A:ASP10 3.1 25.5 1.0 CD2 A:HIS24 3.2 21.1 1.0 CG A:ASP19 3.2 32.6 1.0 CD A:GLU8 3.2 20.4 1.0 OE1 A:GLU8 3.6 18.1 1.0 OD2 A:ASP19 3.6 31.0 1.0 CB A:ASP10 3.6 20.1 1.0 ND1 A:HIS24 4.2 24.4 1.0 CA A:CA301 4.2 27.1 1.0 O A:HOH425 4.2 43.1 1.0 OD1 A:ASP10 4.2 23.1 1.0 OG A:SER34 4.2 27.0 1.0 CG A:HIS24 4.3 18.6 1.0 O A:HOH446 4.3 43.7 1.0 CB A:ASP19 4.5 33.8 1.0 CG A:GLU8 4.6 18.8 1.0 O A:VAL32 4.6 27.5 1.0 CA A:ASP19 4.8 31.4 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn302 b:24.9 occ:1.00 O D:HOH443 2.1 39.1 1.0 NE2 D:HIS24 2.2 29.0 1.0 O D:HOH423 2.2 37.5 1.0 OE2 D:GLU8 2.2 21.4 1.0 OD1 D:ASP19 2.3 26.5 1.0 OD2 D:ASP10 2.3 27.4 1.0 CE1 D:HIS24 3.0 22.8 1.0 CG D:ASP19 3.2 32.4 1.0 CD D:GLU8 3.2 20.7 1.0 CD2 D:HIS24 3.2 23.6 1.0 CG D:ASP10 3.3 24.0 1.0 OE1 D:GLU8 3.6 22.1 1.0 CB D:ASP10 3.6 22.6 1.0 OD2 D:ASP19 3.6 28.7 1.0 CA D:CA301 4.0 27.1 1.0 O D:HOH448 4.2 44.0 1.0 ND1 D:HIS24 4.2 22.6 1.0 O D:HOH444 4.3 40.5 1.0 CG D:HIS24 4.3 21.4 1.0 OD1 D:ASP10 4.3 21.8 1.0 OG D:SER34 4.4 24.7 1.0 CB D:ASP19 4.4 33.2 1.0 CG D:GLU8 4.5 21.2 1.0 O D:VAL32 4.6 24.2 1.0 CA D:ASP19 4.8 31.7 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.