Calcium in PDB 3rs6: Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose

The structure of Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose, PDB code: 3rs6 was solved by C.A.A.Gadelha, T.Santi-Gadelha, C.S.Nagano, E.H.S.Bezerra, M.J.B.Bezerra, K.L.Alencar, J.C.Silva-Filho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.93 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.550, 86.690, 90.280, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.2

The structure of Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose (pdb code 3rs6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose, PDB code: 3rs6:

Calcium binding site 1 out of 1 in the Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Dioclea Virgata Lectin in Complexed with X-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca239 b:18.5 occ:1.00 OD2 A:ASP19 2.3 17.7 1.0 O A:HOH292 2.3 16.4 1.0 O A:HOH254 2.4 14.5 1.0 O A:TYR12 2.4 17.9 1.0 OD1 A:ASN14 2.4 19.1 1.0 OD1 A:ASP10 2.4 14.9 1.0 OD2 A:ASP10 2.5 14.3 1.0 CG A:ASP10 2.8 14.6 1.0 CG A:ASP19 3.4 18.4 1.0 C A:TYR12 3.5 18.3 1.0 CG A:ASN14 3.5 20.3 1.0 OD1 A:ASP19 3.8 16.2 1.0 N A:ASN14 3.9 19.7 1.0 MN A:MN238 4.1 18.4 1.0 CB A:ASN14 4.1 20.2 1.0 CB A:ASP10 4.3 12.7 1.0 CA A:TYR12 4.3 18.8 1.0 N A:TYR12 4.4 17.8 1.0 CE1 A:HIS24 4.4 16.9 1.0 O A:HOH256 4.5 15.9 1.0 CA A:PRO13 4.5 20.0 1.0 N A:PRO13 4.5 20.3 1.0 CB A:TYR12 4.5 17.5 1.0 OD1 A:ASP208 4.6 18.4 1.0 O A:ARG228 4.6 20.6 1.0 C A:PRO13 4.6 23.4 1.0 CA A:ASN14 4.6 20.8 1.0 CB A:ARG228 4.6 16.0 1.0 O A:ASP208 4.7 14.1 1.0 ND2 A:ASN14 4.7 15.6 1.0 CA A:ARG228 4.7 16.4 1.0 CB A:ASP19 4.7 16.2 1.0 NE2 A:HIS24 4.7 17.2 1.0 CD2 A:TYR12 4.9 18.8 1.0

R.Batista Da Nobrega, B.A.Rocha, C.A.Gadelha, T.Santi-Gadelha, A.F.Pires, A.M.Assreuy, K.S.Nascimento, C.S.Nagano, A.H.Sampaio, B.S.Cavada, P.Delatorre. Structure of Dioclea Virgata Lectin: Relations Between Carbohydrate Binding Site and Nitric Oxide Production. Biochimie V. 94 900 2012.
ISSN: ISSN 0300-9084
PubMed: 22198239
DOI: 10.1016/J.BIOCHI.2011.12.009