Calcium in PDB 4dpn: Crystal Structure of Conm Complexed with Resveratrol

The structure of Crystal Structure of Conm Complexed with Resveratrol, PDB code: 4dpn was solved by V.N.Freire, C.Gottfried, B.A.M.Rocha, B.S.Cavada, P.Delatorre, T.Santi-Gadelha, C.A.A.Gadelha, G.N.Batista, R.B.N Brega, J.C.Silva-Filho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.71 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.770, 67.500, 70.460, 90.00, 125.86, 90.00
R / Rfree (%)	16 / 25.5

The structure of Crystal Structure of Conm Complexed with Resveratrol also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Conm Complexed with Resveratrol (pdb code 4dpn). 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 Conm Complexed with Resveratrol, PDB code: 4dpn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Conm Complexed with Resveratrol


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 Conm Complexed with Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:50.1 occ:1.00 OD2 A:ASP19 2.4 54.1 1.0 OD1 A:ASN14 2.5 38.7 1.0 OD2 A:ASP10 2.5 43.2 1.0 O A:TYR12 2.6 43.4 1.0 OD1 A:ASP10 2.7 45.9 1.0 CG A:ASP10 3.0 41.8 1.0 CG A:ASP19 3.4 42.2 1.0 CG A:ASN14 3.6 41.9 1.0 C A:TYR12 3.7 37.8 1.0 OD1 A:ASP19 3.8 34.2 1.0 N A:ASN14 4.0 50.8 1.0 MN A:MN302 4.0 52.5 1.0 CB A:ASN14 4.2 51.2 1.0 O A:ARG228 4.3 55.9 1.0 CB A:ARG228 4.4 35.2 1.0 CA A:ARG228 4.4 37.0 1.0 CB A:ASP10 4.5 39.9 1.0 O A:ASP208 4.5 41.7 1.0 CE1 A:HIS24 4.6 36.7 1.0 OD2 A:ASP208 4.6 54.1 1.0 CA A:TYR12 4.6 36.1 1.0 N A:PRO13 4.6 35.6 1.0 C A:PRO13 4.6 42.6 1.0 ND2 A:ASN14 4.6 46.0 1.0 N A:TYR12 4.7 37.6 1.0 CA A:ASN14 4.7 49.0 1.0 NE2 A:HIS24 4.7 39.2 1.0 CB A:TYR12 4.8 35.0 1.0 CB A:ASP19 4.8 37.7 1.0 CA A:PRO13 4.8 36.7 1.0 C A:ARG228 4.8 45.0 1.0 CB A:ASP208 4.9 42.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Conm Complexed with Resveratrol


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 Conm Complexed with Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca301 b:53.3 occ:1.00 O D:TYR12 2.5 44.1 1.0 OD2 D:ASP19 2.5 52.6 1.0 OD1 D:ASN14 2.5 38.6 1.0 OD1 D:ASP10 2.7 35.5 1.0 OD2 D:ASP10 2.7 42.0 1.0 CG D:ASP10 3.0 43.9 1.0 CG D:ASP19 3.4 42.4 1.0 CG D:ASN14 3.4 43.6 1.0 OD1 D:ASP19 3.7 40.4 1.0 C D:TYR12 3.7 40.2 1.0 CB D:ASN14 3.9 35.1 1.0 N D:ASN14 4.0 49.9 1.0 O D:ARG228 4.2 57.9 1.0 MN D:MN302 4.2 44.1 1.0 CA D:ARG228 4.3 42.7 1.0 CB D:ARG228 4.3 42.4 1.0 ND2 D:ASN14 4.4 59.4 1.0 CA D:TYR12 4.5 42.5 1.0 CB D:ASP10 4.6 43.2 1.0 CA D:ASN14 4.6 41.9 1.0 CB D:TYR12 4.6 50.4 1.0 CB D:ASP19 4.7 38.6 1.0 N D:TYR12 4.7 46.5 1.0 N D:PRO13 4.7 39.5 1.0 C D:ARG228 4.7 43.6 1.0 O D:ASP208 4.8 32.6 1.0 C D:PRO13 4.8 49.4 1.0 CA D:PRO13 4.9 39.0 1.0 OD2 D:ASP208 4.9 42.6 1.0

V.N.Freire, C.Gottfried, B.A.M.Rocha, B.S.Cavada, P.Delatorre, T.Santi-Gadelha, C.A.A Gadelha, G.N.Batista, R.B.N Brega, J.C.Silva-Filho. Crystal Structure of Conm Complexed with Resveratrol To Be Published.