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Calcium in PDB 1les: Lentil Lectin Complexed with Sucrose

Protein crystallography data

The structure of Lentil Lectin Complexed with Sucrose, PDB code: 1les was solved by T.Hamelryck, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.030, 124.800, 50.020, 90.00, 111.80, 90.00
R / Rfree (%) 18.8 / n/a

Other elements in 1les:

The structure of Lentil Lectin Complexed with Sucrose also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Lentil Lectin Complexed with Sucrose (pdb code 1les). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Lentil Lectin Complexed with Sucrose, PDB code: 1les:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1les

Go back to Calcium Binding Sites List in 1les
Calcium binding site 1 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lentil Lectin Complexed with Sucrose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:14.7
occ:1.00
O A:HOH612 2.2 16.1 1.0
OD1 A:ASN125 2.3 16.1 1.0
OD2 A:ASP129 2.3 17.1 1.0
O A:PHE123 2.3 15.0 1.0
OD1 A:ASP121 2.4 13.4 1.0
O A:HOH611 2.4 10.8 1.0
OD2 A:ASP121 2.5 13.5 1.0
CG A:ASP121 2.8 13.6 1.0
CG A:ASP129 3.4 19.4 1.0
CG A:ASN125 3.5 16.6 1.0
C A:PHE123 3.6 18.3 1.0
OD1 A:ASP129 3.8 16.2 1.0
N A:ASN125 4.0 16.8 1.0
CB A:ASN125 4.2 17.4 1.0
MN A:MN204 4.2 18.4 1.0
CB A:ASP121 4.3 12.4 1.0
N A:PHE123 4.3 16.9 1.0
CA A:PHE123 4.3 15.3 1.0
NE1 A:TRP128 4.4 16.4 1.0
O A:HOH613 4.5 19.9 1.0
ND2 A:ASN125 4.5 14.7 1.0
N A:TYR124 4.6 17.6 1.0
CB A:PHE123 4.6 15.0 1.0
O A:ASP81 4.7 11.4 1.0
CA A:TYR124 4.7 15.3 1.0
C A:TYR124 4.7 16.0 1.0
CA A:ASN125 4.7 16.1 1.0
O A:GLY99 4.7 14.4 1.0
CB A:ASP129 4.7 18.0 1.0
OD1 A:ASP81 4.8 18.1 1.0
CD1 A:PHE123 4.8 18.0 1.0
CE1 A:HIS136 4.8 18.0 1.0
CA A:GLY99 4.9 12.0 1.0

Calcium binding site 2 out of 2 in 1les

Go back to Calcium Binding Sites List in 1les
Calcium binding site 2 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lentil Lectin Complexed with Sucrose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca201

b:15.0
occ:1.00
O C:HOH607 2.3 15.2 1.0
OD1 C:ASP121 2.3 15.6 1.0
OD1 C:ASN125 2.3 17.9 1.0
OD2 C:ASP129 2.4 15.6 1.0
O C:HOH608 2.4 13.0 1.0
O C:PHE123 2.4 16.9 1.0
OD2 C:ASP121 2.5 13.6 1.0
CG C:ASP121 2.8 15.6 1.0
CG C:ASP129 3.5 21.3 1.0
CG C:ASN125 3.5 15.9 1.0
C C:PHE123 3.6 17.1 1.0
OD1 C:ASP129 3.9 18.4 1.0
N C:ASN125 4.1 18.4 1.0
CB C:ASN125 4.1 17.0 1.0
MN C:MN202 4.2 17.9 1.0
CB C:ASP121 4.3 11.8 1.0
NE1 C:TRP128 4.4 11.1 1.0
CA C:PHE123 4.4 16.0 1.0
N C:PHE123 4.4 17.4 1.0
O C:HOH609 4.5 14.6 1.0
CB C:PHE123 4.6 14.0 1.0
N C:TYR124 4.6 16.6 1.0
O C:GLY99 4.6 14.6 1.0
ND2 C:ASN125 4.6 14.2 1.0
CA C:TYR124 4.7 16.3 1.0
O C:ASP81 4.7 11.3 1.0
CD2 C:PHE123 4.7 16.4 1.0
C C:TYR124 4.7 17.4 1.0
CA C:ASN125 4.7 17.3 1.0
CB C:ASP129 4.8 19.0 1.0
CA C:GLY99 4.9 10.4 1.0
OD1 C:ASP81 4.9 18.4 1.0
CE1 C:HIS136 4.9 16.8 1.0

Reference:

F.Casset, T.Hamelryck, R.Loris, J.R.Brisson, C.Tellier, M.H.Dao-Thi, L.Wyns, F.Poortmans, S.Perez, A.Imberty. uc(Nmr), Molecular Modeling, and Crystallographic Studies of Lentil Lectin-Sucrose Interaction. J.Biol.Chem. V. 270 25619 1995.
ISSN: ISSN 0021-9258
PubMed: 7592736
DOI: 10.1074/JBC.270.43.25619
Page generated: Sat Dec 12 03:05:01 2020

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