Chlorine 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:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl180 b:16.8 occ:1.00 N A:TRP1 3.3 3.5 1.0 C A:TRP1 3.4 3.0 1.0 N A:ASN139 3.4 4.9 1.0 CA A:TRP1 3.4 2.0 1.0 C A:ASN138 3.5 5.3 1.0 O A:TRP1 3.6 4.5 1.0 CB A:ALA121 3.6 4.7 1.0 CA A:ASN139 3.8 5.5 1.0 O A:ASN138 3.8 6.3 1.0 N A:SER2 3.8 2.0 1.0 CA A:ASN138 3.9 4.2 1.0 O A:ASN139 3.9 3.3 1.0 C A:ASN139 4.1 5.4 1.0 CB A:SER2 4.5 2.5 1.0 N A:ASN138 4.6 6.1 1.0 CA A:SER2 4.6 3.0 1.0 CA A:ALA121 4.7 6.6 1.0 OG A:SER2 4.7 6.2 1.0 N A:ALA121 4.9 4.6 1.0 CB A:TRP1 4.9 3.1 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl 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:Cl181 b:18.9 occ:1.00 O A:HOH274 2.8 5.9 1.0 N A:CYS127 3.1 12.1 1.0 OH A:TYR140 3.1 10.9 1.0 O A:HOH272 3.4 9.7 1.0 CA A:SER126 3.7 15.9 1.0 O A:HOH271 3.7 8.6 1.0 CE2 A:TYR140 3.8 8.0 1.0 CD A:LYS152 3.8 20.9 1.0 CZ A:TYR140 3.8 9.7 1.0 C A:SER126 3.9 14.4 1.0 CA A:CYS127 3.9 14.1 1.0 CB A:SER126 4.1 13.9 1.0 CE A:LYS152 4.4 16.1 1.0 O A:HOH275 4.4 32.6 1.0 CB A:LYS152 4.5 16.1 1.0 OG A:SER126 4.6 12.2 1.0 CG A:LYS152 4.6 19.7 1.0 N A:SER128 4.6 14.4 1.0 SG A:CYS142 4.8 10.6 1.0 O A:THR125 4.8 22.7 1.0 C A:CYS127 4.9 15.3 1.0 N A:SER126 4.9 20.4 1.0 SG A:CYS127 5.0 10.7 1.0 CD2 A:TYR140 5.0 8.9 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