Calcium in PDB 3sh3: Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl

The structure of Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl, PDB code: 3sh3 was solved by T.B.A.Rangel, B.A.M.Rocha, G.A.Bezerra, M.J.B.Bezerra, K.S.Nascimento, C.S.Nagano, A.H.Sampaio, A.M.S.Assreuy, K.Gruber, P.Delatorre, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.43 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.820, 66.873, 107.345, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.2

The structure of Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Bromine	(Br)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl (pdb code 3sh3). 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 of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl, PDB code: 3sh3:

Calcium binding site 1 out of 1 in the Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl


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 Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca239 b:20.3 occ:1.00 OD2 A:ASP10 2.3 19.2 1.0 O A:TYR12 2.4 19.5 1.0 OD1 A:ASN14 2.5 19.6 1.0 O A:HOH244 2.6 20.2 1.0 OD1 A:ASP19 2.6 19.4 1.0 O A:HOH243 2.7 16.2 1.0 OD1 A:ASP10 2.9 18.2 1.0 CG A:ASP10 2.9 18.6 1.0 CG A:ASP19 3.5 19.6 1.0 CG A:ASN14 3.6 19.2 1.0 C A:TYR12 3.6 19.8 1.0 OD2 A:ASP19 3.8 19.9 1.0 MN A:MN238 3.9 20.3 1.0 N A:ASN14 3.9 20.0 1.0 CB A:ASN14 4.2 20.3 1.0 CB A:ASP10 4.3 17.9 1.0 CB A:ARG228 4.3 18.9 1.0 O A:HOH251 4.4 17.0 1.0 O A:ARG228 4.4 18.5 1.0 CA A:ARG228 4.4 19.2 1.0 CA A:TYR12 4.4 20.0 1.0 N A:TYR12 4.5 19.9 1.0 C A:PRO13 4.6 20.4 1.0 N A:PRO13 4.6 20.8 1.0 CE1 A:HIS24 4.6 18.4 1.0 O A:ASP208 4.6 18.9 1.0 CA A:PRO13 4.6 20.0 1.0 CB A:TYR12 4.6 20.0 1.0 CA A:ASN14 4.7 21.1 1.0 ND2 A:ASN14 4.7 19.6 1.0 OD1 A:ASP208 4.8 20.4 1.0 CB A:ASP19 4.8 20.9 1.0 CD2 A:TYR12 4.9 19.8 1.0 C A:ARG228 4.9 18.8 1.0 NE2 A:HIS24 4.9 18.7 1.0

T.B.Rangel, B.A.Rocha, G.A.Bezerra, A.M.Assreuy, A.F.Pires, A.S.Nascimento, M.J.Bezerra, K.S.Nascimento, C.S.Nagano, A.H.Sampaio, K.Gruber, P.Delatorre, P.M.Fernandes, B.S.Cavada. Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl. Biochimie V. 94 525 2012.
ISSN: ISSN 0300-9084
PubMed: 21924319
DOI: 10.1016/J.BIOCHI.2011.09.001