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Calcium in PDB 1qos: Lectin Uea-II Complexed with Chitobiose

Protein crystallography data

The structure of Lectin Uea-II Complexed with Chitobiose, PDB code: 1qos was solved by R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.95
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.030, 106.030, 87.020, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 22.3

Other elements in 1qos:

The structure of Lectin Uea-II Complexed with Chitobiose also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 2 in 1qos

Go back to Calcium Binding Sites List in 1qos
Calcium binding site 1 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:57.2
occ:1.00
OD1 A:ASP128 2.1 45.3 1.0
OD1 A:ASN136 2.2 63.8 1.0
OD2 A:ASP139 2.3 60.2 1.0
O A:TYR130 2.4 52.7 1.0
CG A:ASP128 2.8 40.7 1.0
OD2 A:ASP128 2.9 39.1 1.0
CG A:ASN136 3.4 61.7 1.0
CG A:ASP139 3.5 60.1 1.0
C A:TYR130 3.6 53.7 1.0
OD1 A:ASP139 4.0 63.7 1.0
CB A:ASN136 4.1 61.9 1.0
CB A:ASP128 4.2 41.2 1.0
CD2 A:TYR130 4.3 58.9 1.0
CA A:TYR130 4.4 52.5 1.0
O A:ASP86 4.4 47.8 1.0
ND2 A:ASN136 4.5 64.0 1.0
NE1 A:TRP138 4.5 58.8 1.0
CB A:TYR130 4.5 55.0 1.0
MN A:MN301 4.5 31.0 1.0
CZ A:PHE108 4.5 44.3 1.0
O A:GLY106 4.5 50.0 1.0
N A:PHE131 4.5 54.9 1.0
N A:TYR130 4.6 50.5 1.0
CB A:ASP139 4.6 57.6 1.0
CA A:PHE131 4.7 55.9 1.0
CG A:TYR130 4.9 57.0 1.0
CA A:GLY106 4.9 51.3 1.0
OD1 A:ASP86 4.9 55.7 1.0
CE1 A:HIS144 4.9 41.7 1.0
CA A:ASP128 4.9 41.6 1.0

Calcium binding site 2 out of 2 in 1qos

Go back to Calcium Binding Sites List in 1qos
Calcium binding site 2 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:52.9
occ:1.00
OD1 B:ASP128 2.0 41.7 1.0
O B:TYR130 2.3 52.8 1.0
OD2 B:ASP139 2.3 60.1 1.0
OD1 B:ASN136 2.3 64.9 1.0
CG B:ASP128 2.7 39.8 1.0
OD2 B:ASP128 2.9 39.4 1.0
C B:TYR130 3.5 54.0 1.0
CG B:ASP139 3.5 59.9 1.0
CG B:ASN136 3.5 62.2 1.0
OD1 B:ASP139 4.0 63.9 1.0
CB B:ASP128 4.1 40.9 1.0
CB B:ASN136 4.2 62.4 1.0
CD2 B:TYR130 4.3 59.7 1.0
CA B:TYR130 4.3 52.9 1.0
O B:ASP86 4.4 50.7 1.0
CB B:TYR130 4.4 55.7 1.0
N B:PHE131 4.4 55.2 1.0
N B:TYR130 4.5 51.4 1.0
CZ B:PHE108 4.5 45.9 1.0
ND2 B:ASN136 4.6 64.0 1.0
NE1 B:TRP138 4.6 58.7 1.0
CA B:PHE131 4.6 56.9 1.0
MN B:MN301 4.6 38.2 1.0
O B:GLY106 4.6 52.8 1.0
CB B:ASP139 4.6 57.2 1.0
CE1 B:HIS144 4.8 44.7 1.0
CG B:TYR130 4.8 58.5 1.0
CA B:ASP128 4.8 41.8 1.0
OD1 B:ASP86 4.8 58.9 1.0
CA B:GLY106 5.0 52.4 1.0

Reference:

R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns. Structural Basis of Carbohydrate Recognition By Lectin II From Ulex Europaeus, A Protein with A Promiscuous Carbohydrate Binding Site J.Mol.Biol. V. 301 987 2000.
ISSN: ISSN 0022-2836
PubMed: 10966800
DOI: 10.1006/JMBI.2000.4016
Page generated: Thu Jul 11 21:56:13 2024

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