Chlorine in PDB 4k1z: Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome, PDB code: 4k1z was solved by G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.M.Rocha, B.S.Cavada, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.15 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.810, 107.810, 157.910, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 22.2

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome also contains other interesting chemical elements:

Cadmium	(Cd)	9 atoms
Manganese	(Mn)	4 atoms
Calcium	(Ca)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome (pdb code 4k1z). 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 Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome, PDB code: 4k1z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


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 Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:19.9 occ:0.50 N B:ASP80 3.2 16.2 1.0 O B:HOH469 3.5 25.3 1.0 ND2 B:ASN83 3.5 11.9 1.0 CB B:ASP80 3.7 15.1 1.0 O B:ASP80 3.9 15.1 1.0 CA B:ASP80 4.0 16.5 1.0 CB B:ASN83 4.2 15.1 1.0 C B:VAL79 4.2 16.4 1.0 CA B:VAL79 4.2 13.2 1.0 CG2 B:VAL79 4.3 10.3 1.0 CG B:ASN83 4.3 18.0 1.0 C B:ASP80 4.4 19.0 1.0 CB B:VAL79 4.8 12.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


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 Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:19.5 occ:1.00 O D:HOH411 2.9 17.6 1.0 O B:HOH407 3.0 12.7 1.0 ND2 B:ASN55 3.4 17.1 1.0 ND2 D:ASN55 3.4 15.6 1.0 CB B:ASN55 3.6 19.1 1.0 CA D:GLY58 3.6 16.4 1.0 CB B:ARG60 3.8 13.4 1.0 CG B:ARG60 3.9 17.1 1.0 CB D:ARG60 4.0 21.5 1.0 C D:GLY58 4.0 17.9 1.0 CG B:ASN55 4.1 20.6 1.0 CD B:ARG60 4.2 28.6 1.0 CG D:ASN55 4.3 15.9 1.0 N D:ARG60 4.3 18.8 1.0 O D:ARG60 4.4 15.2 1.0 N D:GLY58 4.4 16.6 1.0 O B:ARG60 4.4 15.5 1.0 O D:GLY58 4.5 17.9 1.0 OD1 D:ASN55 4.5 12.6 1.0 N D:LYS59 4.5 13.7 1.0 OG B:SER62 4.6 19.1 1.0 CA D:ARG60 4.7 20.7 1.0 NE B:ARG60 4.7 30.9 1.0 CA B:ARG60 4.9 14.4 1.0 CD D:ARG60 4.9 33.0 1.0 C B:ARG60 5.0 14.3 1.0

G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.Rocha, K.S.Do Nascimento, J.G.Figueiredo, I.G.Bezerra, C.S.Teixeira, R.C.Simoes, C.S.Nagano, N.M.De Alencar, K.Gruber, B.S.Cavada. Structural Studies of An Anti-Inflammatory Lectin From Canavalia Boliviana Seeds in Complex with Dimannosides. Plos One V. 9 97015 2014.
ISSN: ESSN 1932-6203
PubMed: 24865454
DOI: 10.1371/JOURNAL.PONE.0097015