Calcium in PDB 1g1r: Crystal Structure of P-Selectin Lectin/Egf Domains Complexed with Slex

The structure of Crystal Structure of P-Selectin Lectin/Egf Domains Complexed with Slex, PDB code: 1g1r 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 / 3.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.140, 60.520, 91.440, 90.00, 103.28, 90.00
R / Rfree (%)	22.7 / 32.2

The binding sites of Calcium atom in the Crystal Structure of P-Selectin Lectin/Egf Domains Complexed with Slex (pdb code 1g1r). 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 Complexed with Slex, PDB code: 1g1r:
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 Complexed with Slex


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 Complexed with Slex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:28.5 occ:1.00 OD1 A:ASN82 2.0 33.8 1.0 OD1 A:ASP106 2.3 26.4 1.0 O A:ASP106 2.4 19.4 1.0 OD1 A:ASN105 2.5 28.8 1.0 O3 A:FUC904 2.7 71.6 1.0 OE2 A:GLU80 2.8 30.6 1.0 OE1 A:GLU80 2.9 38.5 1.0 CD A:GLU80 3.0 38.0 1.0 ND2 A:ASN83 3.1 36.4 1.0 CG A:ASP106 3.1 35.4 1.0 O4 A:FUC904 3.1 71.6 1.0 CG A:ASN82 3.1 29.6 1.0 C A:ASP106 3.5 21.3 1.0 OD2 A:ASP106 3.6 37.9 1.0 CG A:ASN105 3.6 32.0 1.0 CG A:ASN83 3.7 40.8 1.0 C3 A:FUC904 3.7 71.6 1.0 OD1 A:ASN83 3.7 34.2 1.0 ND2 A:ASN82 3.8 32.1 1.0 N A:ASP106 3.8 34.2 1.0 C4 A:FUC904 3.9 71.6 1.0 C2 A:FUC904 4.0 71.6 1.0 N A:ASN82 4.0 35.0 1.0 CA A:ASP106 4.1 28.4 1.0 ND2 A:ASN105 4.1 24.6 1.0 CB A:ASP106 4.2 30.7 1.0 CB A:ASN82 4.3 29.1 1.0 CG A:GLU80 4.3 34.0 1.0 N A:ASN83 4.5 36.5 1.0 CA A:ASN82 4.5 35.1 1.0 C A:ASN105 4.5 36.4 1.0 O2 A:FUC904 4.6 71.6 1.0 N A:GLU107 4.6 20.7 1.0 C A:ASN82 4.7 37.9 1.0 CB A:ASN105 4.8 25.1 1.0 CA A:ASN105 4.8 25.9 1.0 CB A:ASN83 4.9 34.1 1.0 CB A:GLU80 4.9 34.5 1.0 CA A:GLU107 5.0 29.0 1.0

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


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 Complexed with Slex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca802 b:44.6 occ:1.00 O3 B:FUC904 2.2 71.6 1.0 OD1 B:ASP106 2.5 56.1 1.0 OD1 B:ASN105 2.7 68.6 1.0 ND2 B:ASN83 2.8 75.0 1.0 O B:ASP106 2.8 59.1 1.0 CG B:ASP106 3.0 63.3 1.0 OE1 B:GLU80 3.1 59.4 1.0 ND2 B:ASN82 3.1 66.6 1.0 OD1 B:ASN82 3.2 69.9 1.0 O4 B:FUC904 3.3 71.6 1.0 CG B:ASN82 3.3 67.9 1.0 OD2 B:ASP106 3.3 62.5 1.0 C3 B:FUC904 3.4 71.6 1.0 CG B:ASN83 3.5 73.1 1.0 C B:ASP106 3.5 62.6 1.0 N B:ASN82 3.6 73.3 1.0 OD1 B:ASN83 3.6 73.5 1.0 N B:ASP106 3.6 59.2 1.0 C4 B:FUC904 3.8 71.6 1.0 CG B:ASN105 3.8 71.3 1.0 CD B:GLU80 3.9 69.1 1.0 CA B:ASP106 3.9 61.0 1.0 C2 B:FUC904 4.0 71.6 1.0 OE2 B:GLU80 4.0 72.1 1.0 CB B:ASP106 4.0 60.2 1.0 CA B:ASN82 4.3 72.0 1.0 O2 B:FUC904 4.4 71.6 1.0 C B:ASN105 4.4 60.0 1.0 CB B:ASN82 4.4 68.6 1.0 CA B:PRO81 4.5 63.3 1.0 C B:PRO81 4.5 69.1 1.0 C B:ASN82 4.5 73.7 1.0 N B:GLU107 4.5 61.6 1.0 ND2 B:ASN105 4.6 64.0 1.0 N B:ASN83 4.7 72.0 1.0 CB B:ASN83 4.8 71.1 1.0 CA B:ASN105 4.8 59.8 1.0 CB B:ASN105 4.9 63.2 1.0 CB B:PRO81 4.9 65.6 1.0 CA B:GLU107 4.9 59.7 1.0 O B:ASN82 5.0 78.0 1.0

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


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 Complexed with Slex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca803 b:68.4 occ:1.00 OD1 C:ASN105 2.2 72.8 1.0 O C:ASP106 2.5 47.3 1.0 OD1 C:ASN82 2.6 58.3 1.0 OD1 C:ASP106 2.6 60.4 1.0 ND2 C:ASN83 3.0 71.8 1.0 CG C:ASN105 3.1 66.9 1.0 OE1 C:GLU80 3.1 44.9 1.0 OE2 C:GLU80 3.2 52.8 1.0 ND2 C:ASN105 3.3 62.3 1.0 CG C:ASN82 3.5 56.6 1.0 CD C:GLU80 3.5 54.5 1.0 C C:ASP106 3.7 53.5 1.0 ND2 C:ASN82 3.7 62.9 1.0 CG C:ASP106 3.8 58.8 1.0 N C:ASP106 3.9 57.1 1.0 CG C:ASN83 4.2 72.0 1.0 CA C:ASP106 4.3 53.8 1.0 CB C:ASN105 4.5 59.6 1.0 CB C:ASP106 4.6 51.1 1.0 OD2 C:ASP106 4.6 58.7 1.0 OD1 C:ASN83 4.7 62.6 1.0 N C:GLU107 4.7 55.1 1.0 OE1 C:GLU107 4.8 68.5 1.0 C C:ASN105 4.9 57.8 1.0 CB C:ASN82 4.9 57.3 1.0

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


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 Complexed with Slex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca804 b:86.1 occ:1.00 OD1 D:ASP106 2.3 78.5 1.0 OD1 D:ASN82 2.4 85.3 1.0 OD1 D:ASN105 2.5 89.8 1.0 OE2 D:GLU80 2.5 79.2 1.0 O D:ASP106 2.7 89.7 1.0 O3 D:FUC904 2.8 71.6 1.0 ND2 D:ASN83 3.0 0.0 1.0 CG D:ASP106 3.2 86.2 1.0 CD D:GLU80 3.3 80.6 1.0 CG D:ASN82 3.3 82.0 1.0 OE1 D:GLU80 3.4 72.7 1.0 O4 D:FUC904 3.4 71.6 1.0 ND2 D:ASN82 3.5 76.6 1.0 CG D:ASN105 3.7 93.5 1.0 N D:ASP106 3.7 90.5 1.0 C D:ASP106 3.7 89.0 1.0 OD2 D:ASP106 3.7 85.2 1.0 C3 D:FUC904 4.0 71.6 1.0 C4 D:FUC904 4.0 71.6 1.0 CG D:ASN83 4.0 98.8 1.0 CA D:ASP106 4.1 89.8 1.0 CB D:ASP106 4.2 87.6 1.0 ND2 D:ASN105 4.3 92.4 1.0 OD1 D:ASN83 4.5 99.8 1.0 C D:ASN105 4.6 89.9 1.0 CG D:GLU80 4.6 79.4 1.0 N D:ASN82 4.7 86.9 1.0 N D:ASN83 4.7 97.6 1.0 CB D:ASN82 4.7 84.9 1.0 CB D:ASN105 4.8 92.8 1.0 C2 D:FUC904 4.8 71.6 1.0 CA D:ASN105 4.8 91.2 1.0 N D:GLU107 4.9 90.6 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