Chlorine 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
Calcium	(Ca)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Pro-Inflammatory Lectin From the Seeds of Dioclea Wilsonii Standl, PDB code: 3sh3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl242 b:32.4 occ:1.00 CL A:XMM242 0.0 32.4 1.0 C10 A:XMM242 1.8 24.8 1.0 C13 A:XMM242 2.8 28.1 1.0 C8 A:XMM242 2.8 24.7 1.0 O1 A:XMM242 3.0 24.3 1.0 C7 A:XMM242 3.3 23.9 1.0 BR A:XMM242 3.3 56.2 1.0 C1 A:XMM242 3.4 22.7 1.0 C2 A:XMM242 4.0 22.5 1.0 C14 A:XMM242 4.2 25.6 1.0 C9 A:XMM242 4.2 25.0 1.0 O A:HOH291 4.3 23.0 1.0 O5 A:XMM242 4.5 21.3 1.0 C12 A:XMM242 4.7 24.8 1.0 C11 A:XMM242 4.7 22.4 1.0 CD2 A:LEU99 4.7 23.1 1.0 O2 A:XMM242 4.8 21.7 1.0 CB A:LEU99 4.9 24.0 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl240 b:19.9 occ:1.00 N1 A:XMM242 2.3 23.8 1.0 C12 A:XMM242 2.6 24.8 1.0 C9 A:XMM242 2.7 25.0 1.0 OH A:TYR100 3.3 25.2 1.0 C11 A:XMM242 3.7 22.4 1.0 CE1 A:TYR100 3.9 23.7 1.0 OH A:TYR12 3.9 21.2 1.0 CZ A:TYR100 4.0 23.5 1.0 C14 A:XMM242 4.1 25.6 1.0 C8 A:XMM242 4.1 24.7 1.0 CD2 A:LEU99 4.5 23.1 1.0 C7 A:XMM242 4.5 23.9 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