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Chlorine in PDB 3ju9: Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid

Protein crystallography data

The structure of Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid, PDB code: 3ju9 was solved by E.H.S.Bezerra, B.A.M.Rocha, C.S.Nagano, G.A.Bezerra, T.R.Moura, M.J.B.Bezerra, R.G.Benevides, E.S.Marinho, P.Delatorre, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.51 / 2.10
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 68.323, 73.020, 99.542, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.3

Other elements in 3ju9:

The structure of Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid (pdb code 3ju9). 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 Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid, PDB code: 3ju9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3ju9

Go back to Chlorine Binding Sites List in 3ju9
Chlorine binding site 1 out of 2 in the Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid


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 Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl242

b:40.1
occ:1.00
N A:ALA236 3.6 35.3 1.0
CB A:ALA236 3.9 35.5 1.0
CA A:ASP235 4.0 35.8 1.0
NH2 A:ARG228 4.0 35.3 1.0
CB A:ASP235 4.1 36.0 1.0
C A:ASP235 4.2 35.8 1.0
CA A:ALA236 4.4 35.7 1.0
CD1 A:LEU229 4.9 28.4 1.0

Chlorine binding site 2 out of 2 in 3ju9

Go back to Chlorine Binding Sites List in 3ju9
Chlorine binding site 2 out of 2 in the Crystal Structure of A Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid


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 Lectin From Canavalia Brasiliensis Seed (Conbr) Complexed with Alpha-Aminobutyric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl243

b:38.8
occ:1.00
O A:HOH382 2.2 36.7 1.0
ND2 A:ASN14 3.0 31.4 1.0
NH1 A:ARG228 3.4 35.5 1.0
OD1 A:ASP16 3.7 52.0 1.0
CB A:ASN14 3.8 34.3 1.0
CG A:ASN14 3.9 34.4 1.0
CD A:ARG228 4.0 32.1 1.0
CA A:ASN14 4.4 35.1 1.0
CZ A:ARG228 4.5 34.6 1.0
NE A:ARG228 4.6 34.4 1.0
O1 A:GOL239 4.7 33.5 1.0
CG A:ASP16 4.7 48.6 1.0
C1 A:GOL239 4.9 35.7 1.0
OD2 A:ASP16 5.0 50.6 1.0

Reference:

E.H.Bezerra, B.A.Rocha, C.S.Nagano, G.A.Bezerra, T.R.Moura, M.J.Bezerra, R.G.Benevides, A.H.Sampaio, A.M.Assreuy, P.Delatorre, B.S.Cavada. Structural Analysis of Conbr Reveals Molecular Correlation Between the Carbohydrate Recognition Domain and Endothelial No Synthase Activation. Biochem.Biophys.Res.Commun. V. 408 566 2011.
ISSN: ISSN 0006-291X
PubMed: 21530490
DOI: 10.1016/J.BBRC.2011.04.061
Page generated: Sat Dec 12 09:49:38 2020

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