Calcium in PDB 1esl: Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains

The structure of Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains, PDB code: 1esl was solved by B.J.Graves, R.L.Crowther, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.380, 73.530, 77.600, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 23.9

The structure of Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains (pdb code 1esl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains, PDB code: 1esl:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca163 b:15.7 occ:1.00 O A:HOH315 2.2 33.6 1.0 OD1 A:ASN105 2.3 11.4 1.0 OE1 A:GLU80 2.3 19.3 1.0 OD1 A:ASP106 2.3 13.5 1.0 OD1 A:ASN82 2.4 21.6 1.0 O A:HOH249 2.5 20.1 1.0 O A:ASP106 2.6 9.1 1.0 CD A:GLU80 3.3 16.9 1.0 CG A:ASN82 3.3 20.7 1.0 CG A:ASN105 3.4 11.6 1.0 CG A:ASP106 3.5 12.6 1.0 C A:ASP106 3.6 10.6 1.0 N A:ASP106 3.6 12.3 1.0 OE2 A:GLU80 3.6 17.9 1.0 ND2 A:ASN82 3.7 20.6 1.0 ND2 A:ASN105 3.9 11.6 1.0 ND2 A:ASN83 3.9 27.8 1.0 CA A:ASP106 4.0 11.1 1.0 N A:ASN82 4.2 17.3 1.0 CB A:ASP106 4.3 11.2 1.0 CG A:ASN83 4.3 27.5 1.0 OD1 A:ASN83 4.3 28.5 1.0 OD2 A:ASP106 4.3 11.8 1.0 C A:ASN105 4.4 12.0 1.0 CG A:GLU80 4.5 13.9 1.0 CB A:ASN82 4.6 21.5 1.0 CB A:ASN105 4.6 9.6 1.0 CA A:ASN105 4.7 9.6 1.0 N A:GLU107 4.7 8.3 1.0 CA A:ASN82 4.8 21.0 1.0 N A:ASN83 4.9 25.4 1.0 C A:ASN82 5.0 23.8 1.0

Calcium binding site 2 out of 3 in the Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca164 b:26.8 occ:1.00 OE2 A:GLU36 2.2 18.7 1.0 OE1 A:GLU33 2.3 38.2 1.0 O A:HOH229 2.3 15.6 1.0 O A:HOH302 2.5 36.0 1.0 CD A:GLU36 3.4 15.9 1.0 CD A:GLU33 3.5 34.0 1.0 OE2 A:GLU33 4.2 39.4 1.0 OE1 A:GLU36 4.2 20.4 1.0 CG A:GLU36 4.3 12.7 1.0 CG A:GLU33 4.5 24.8 1.0 CB A:GLU33 4.7 15.7 1.0 CB A:GLU36 4.8 8.8 1.0 O A:GLU33 4.8 6.6 1.0 CA A:GLU33 4.9 10.4 1.0

Calcium binding site 3 out of 3 in the Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Insight Into E-Selectin(Slash)Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec(Slash)Egf Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca165 b:17.1 occ:1.00 O A:HOH221 2.4 21.0 1.0 O A:GLN20 2.4 5.2 1.0 O A:HOH309 2.4 20.2 1.0 O A:TYR23 2.6 6.5 1.0 O A:HOH219 2.7 23.1 1.0 O A:HOH310 2.7 24.5 1.0 O A:HOH286 2.8 50.5 1.0 C A:GLN20 3.6 7.4 1.0 C A:TYR23 3.8 4.3 1.0 O A:HOH218 4.0 20.5 1.0 CA A:GLN20 4.1 6.0 1.0 CA A:THR24 4.4 5.1 1.0 O A:THR24 4.4 2.8 1.0 O A:GLN21 4.5 6.2 1.0 N A:TYR23 4.5 3.7 1.0 C A:GLN21 4.5 6.1 1.0 N A:THR24 4.6 4.4 1.0 N A:GLN21 4.6 6.2 1.0 O A:HOH220 4.6 14.6 1.0 O A:HOH288 4.6 22.3 1.0 CA A:TYR23 4.7 3.3 1.0 CA A:GLN21 4.7 5.5 1.0 O A:CYS19 4.8 3.5 1.0 C A:THR24 4.8 2.8 1.0 C A:ARG22 4.8 4.8 1.0 CB A:GLN20 4.8 8.1 1.0 N A:ARG22 5.0 3.9 1.0

B.J.Graves, R.L.Crowther, C.Chandran, J.M.Rumberger, S.Li, K.S.Huang, D.H.Presky, P.C.Familletti, B.A.Wolitzky, D.K.Burns. Insight Into E-Selectin/Ligand Interaction From the Crystal Structure and Mutagenesis of the Lec/Egf Domains. Nature V. 367 532 1994.
ISSN: ISSN 0028-0836
PubMed: 7509040
DOI: 10.1038/367532A0