Calcium in PDB 1g1q: Crystal Structure of P-Selectin Lectin/Egf Domains

The structure of Crystal Structure of P-Selectin Lectin/Egf Domains, PDB code: 1g1q was solved by W.S.Somers, R.T.Camphausen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.000, 60.830, 91.440, 90.00, 103.58, 90.00
R / Rfree (%)	21.3 / 25.2

The binding sites of Calcium atom in the Crystal Structure of P-Selectin Lectin/Egf Domains (pdb code 1g1q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of P-Selectin Lectin/Egf Domains, PDB code: 1g1q:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of P-Selectin Lectin/Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of P-Selectin Lectin/Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:32.0 occ:1.00 OD1 A:ASP106 2.2 28.5 1.0 O A:HOH810 2.3 24.9 1.0 OD1 A:ASN105 2.3 30.9 1.0 O A:HOH857 2.3 32.9 1.0 OD1 A:ASN82 2.4 36.0 1.0 O A:ASP106 2.5 21.6 1.0 OE1 A:GLU80 2.6 40.6 1.0 CG A:ASP106 3.3 37.5 1.0 CD A:GLU80 3.3 40.1 1.0 CG A:ASN105 3.4 34.1 1.0 CG A:ASN82 3.4 31.7 1.0 C A:ASP106 3.5 23.4 1.0 OE2 A:GLU80 3.5 32.8 1.0 N A:ASP106 3.6 36.3 1.0 ND2 A:ASN83 3.9 38.6 1.0 ND2 A:ASN82 3.9 34.2 1.0 ND2 A:ASN105 3.9 26.7 1.0 CA A:ASP106 4.0 30.5 1.0 OD2 A:ASP106 4.1 40.0 1.0 CB A:ASP106 4.2 32.8 1.0 N A:ASN82 4.3 37.1 1.0 CG A:ASN83 4.4 42.9 1.0 OD1 A:ASN83 4.4 36.4 1.0 C A:ASN105 4.5 38.5 1.0 CG A:GLU80 4.5 36.1 1.0 CB A:ASN105 4.6 27.3 1.0 CB A:ASN82 4.6 31.2 1.0 N A:GLU107 4.7 22.9 1.0 CA A:ASN105 4.8 28.0 1.0 CA A:ASN82 4.9 37.2 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of P-Selectin Lectin/Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of P-Selectin Lectin/Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca802 b:48.2 occ:1.00 OD1 B:ASN105 2.3 54.3 1.0 OD1 B:ASP106 2.3 41.9 1.0 OD1 B:ASN82 2.3 55.7 1.0 O B:HOH833 2.4 46.0 1.0 O B:HOH826 2.5 38.3 1.0 O B:ASP106 2.5 44.9 1.0 OE1 B:GLU80 2.7 45.2 1.0 CG B:ASN82 3.3 53.6 1.0 CD B:GLU80 3.4 54.9 1.0 CG B:ASN105 3.4 57.1 1.0 CG B:ASP106 3.5 49.0 1.0 C B:ASP106 3.5 48.4 1.0 OE2 B:GLU80 3.6 57.9 1.0 N B:ASP106 3.6 44.9 1.0 ND2 B:ASN82 3.7 52.4 1.0 ND2 B:ASN83 3.9 60.8 1.0 CA B:ASP106 4.0 46.7 1.0 ND2 B:ASN105 4.0 49.7 1.0 OD1 B:ASN83 4.1 59.3 1.0 CG B:ASN83 4.3 58.9 1.0 N B:ASN82 4.3 59.0 1.0 CB B:ASP106 4.3 45.9 1.0 OD2 B:ASP106 4.4 48.3 1.0 C B:ASN105 4.4 45.8 1.0 CB B:ASN82 4.5 54.3 1.0 CG B:GLU80 4.6 50.5 1.0 N B:GLU107 4.6 47.4 1.0 CB B:ASN105 4.6 49.0 1.0 CA B:ASN105 4.8 45.6 1.0 CA B:ASN82 4.8 57.7 1.0 CB B:GLU80 5.0 46.6 1.0 N B:ASN83 5.0 57.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of P-Selectin Lectin/Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of P-Selectin Lectin/Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca803 b:72.0 occ:1.00 OD1 C:ASP106 2.3 63.6 1.0 OE1 C:GLU80 2.4 48.1 1.0 O C:ASP106 2.5 50.5 1.0 OD1 C:ASN82 2.5 61.4 1.0 OD1 C:ASN105 2.6 76.0 1.0 CG C:ASN105 3.3 70.1 1.0 CD C:GLU80 3.5 57.6 1.0 CG C:ASP106 3.5 62.0 1.0 ND2 C:ASN105 3.5 65.4 1.0 CG C:ASN82 3.6 59.8 1.0 C C:ASP106 3.6 56.6 1.0 N C:ASP106 3.8 60.2 1.0 OD1 C:ASN83 3.9 65.7 1.0 OE2 C:GLU80 3.9 56.0 1.0 ND2 C:ASN83 4.0 75.0 1.0 CA C:ASP106 4.2 56.9 1.0 CG C:ASN83 4.2 75.1 1.0 ND2 C:ASN82 4.2 66.1 1.0 N C:ASN82 4.3 62.3 1.0 OD2 C:ASP106 4.3 61.9 1.0 CB C:ASP106 4.4 54.3 1.0 C C:ASN105 4.5 61.0 1.0 CB C:ASN105 4.6 62.8 1.0 CB C:ASN82 4.7 60.5 1.0 CG C:GLU80 4.7 56.8 1.0 N C:GLU107 4.8 58.3 1.0 CA C:ASN105 4.8 60.4 1.0 N C:ASN83 4.9 70.9 1.0 CA C:ASN82 4.9 66.6 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of P-Selectin Lectin/Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of P-Selectin Lectin/Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca804 b:89.7 occ:1.00 OD1 D:ASN105 2.1 80.8 1.0 OD1 D:ASN82 2.1 76.3 1.0 OD1 D:ASP106 2.3 69.5 1.0 O D:ASP106 2.6 80.7 1.0 OE2 D:GLU80 2.7 70.3 1.0 CG D:ASN82 3.1 73.1 1.0 CG D:ASN105 3.2 84.5 1.0 ND2 D:ASN82 3.5 67.6 1.0 CD D:GLU80 3.5 71.6 1.0 CG D:ASP106 3.5 77.2 1.0 C D:ASP106 3.5 80.1 1.0 N D:ASP106 3.6 81.5 1.0 OE1 D:GLU80 3.8 63.7 1.0 ND2 D:ASN105 3.9 83.4 1.0 CA D:ASP106 4.0 80.8 1.0 C D:ASN105 4.3 81.0 1.0 CB D:ASP106 4.4 78.6 1.0 N D:ASN82 4.4 77.9 1.0 OD1 D:ASN83 4.4 90.8 1.0 ND2 D:ASN83 4.4 96.1 1.0 CB D:ASN105 4.4 83.8 1.0 OD2 D:ASP106 4.4 76.2 1.0 CB D:ASN82 4.5 75.9 1.0 CA D:ASN105 4.6 82.2 1.0 CG D:GLU80 4.6 70.4 1.0 N D:GLU107 4.6 81.6 1.0 CG D:ASN83 4.7 89.9 1.0 CB D:GLU80 4.8 76.2 1.0 CA D:ASN82 4.9 81.4 1.0

W.S.Somers, J.Tang, G.D.Shaw, R.T.Camphausen. Insights Into the Molecular Basis of Leukocyte Tethering and Rolling Revealed By Structures of P- and E-Selectin Bound to Sle(X) and Psgl-1. Cell(Cambridge,Mass.) V. 103 467 2000.
ISSN: ISSN 0092-8674
PubMed: 11081633
DOI: 10.1016/S0092-8674(00)00138-0