Chlorine in PDB 5t7p: Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man

The structure of Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man, PDB code: 5t7p was solved by V.R.Pinto-Junior, M.Q.Santiago, V.J.S.Osterne, J.C.Silva-Filho, B.A.M.Rocha, P.Delatorre, K.S.Nascimento, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.28 / 2.16
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.770, 62.970, 66.740, 90.00, 94.27, 90.00
R / Rfree (%)	17 / 22.1

The structure of Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man also contains other interesting chemical elements:

Bromine	(Br)	2 atoms
Manganese	(Mn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man (pdb code 5t7p). 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 Pisum Arvense Lectin (Pal) Complexed with X-Man, PDB code: 5t7p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man


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 Pisum Arvense Lectin (Pal) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:20.8 occ:1.00 CL A:XMM303 0.0 20.8 1.0 C10 A:XMM303 1.8 22.9 1.0 C8 A:XMM303 2.9 23.2 1.0 C13 A:XMM303 2.9 22.0 1.0 BR A:XMM303 3.4 18.5 1.0 O1 A:XMM303 3.4 18.1 1.0 C7 A:XMM303 3.6 20.3 1.0 C1 A:XMM303 3.6 17.2 1.0 O A:HOH513 3.8 27.7 1.0 C2 A:XMM303 3.9 19.2 1.0 C14 A:XMM303 4.2 19.6 1.0 C9 A:XMM303 4.2 19.2 1.0 O2 A:XMM303 4.6 19.0 1.0 C12 A:XMM303 4.7 22.9 1.0 O A:HOH578 4.9 40.0 1.0 C11 A:XMM303 4.9 22.2 1.0 O5 A:XMM303 5.0 14.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pisum Arvense Lectin (Pal) Complexed with X-Man


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 Pisum Arvense Lectin (Pal) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:21.7 occ:1.00 CL B:XMM303 0.0 21.7 1.0 C10 B:XMM303 1.8 18.9 1.0 C8 B:XMM303 2.9 23.8 1.0 C13 B:XMM303 2.9 18.5 1.0 BR B:XMM303 3.4 25.6 1.0 O1 B:XMM303 3.4 20.6 1.0 C1 B:XMM303 3.5 24.7 1.0 C7 B:XMM303 3.6 21.9 1.0 O B:HOH448 3.6 32.2 1.0 C2 B:XMM303 3.9 23.3 1.0 C14 B:XMM303 4.2 18.3 1.0 C9 B:XMM303 4.2 19.4 1.0 O2 B:XMM303 4.5 26.8 1.0 C12 B:XMM303 4.7 22.7 1.0 O5 B:XMM303 4.8 21.5 1.0 C11 B:XMM303 4.9 20.7 1.0

V.R.Pinto-Junior, M.Q.Santiago, C.B.Nobre, V.J.S.Osterne, R.B.Leal, J.B.Cajazeiras, C.F.Lossio, B.A.M.Rocha, M.G.Q.Martins, C.A.S.Nobre, M.T.L.Silva, K.S.Nascimento, B.S.Cavada. Crystal Structure of Pisum Arvense Seed Lectin (Pal) and Characterization of Its Interaction with Carbohydrates By Molecular Docking and Dynamics. Arch. Biochem. Biophys. V. 630 27 2017.
ISSN: ESSN 1096-0384
PubMed: 28754321
DOI: 10.1016/J.ABB.2017.07.013