Chlorine in PDB 1qye: Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine

The structure of Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine, PDB code: 1qye was solved by K.L.Soldano, A.Jivan, C.V.Nicchitta, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.47 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	87.008, 98.974, 63.254, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 27.2

The binding sites of Chlorine atom in the Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine (pdb code 1qye). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine, PDB code: 1qye:

Chlorine binding site 1 out of 1 in the Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the N-Domain of the Er HSP90 Chaperone GRP94 in Complex with 2-Chlorodideoxyadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl338 b:38.9 occ:1.00 CL A:CDY338 0.0 38.9 1.0 C2 A:CDY338 1.8 34.5 1.0 N3 A:CDY338 2.7 36.5 1.0 N1 A:CDY338 2.7 34.0 1.0 O A:GLY153 2.9 37.8 1.0 CG1 A:VAL152 3.2 32.1 1.0 O A:HOH343 3.3 33.2 1.0 C A:GLY153 3.4 39.2 1.0 N A:GLY153 3.4 38.3 1.0 O A:HOH390 3.5 43.2 1.0 CA A:GLY153 3.7 36.3 1.0 O A:HOH458 3.7 47.8 1.0 CB A:ALA111 3.8 40.8 1.0 CG A:MET154 3.8 36.7 1.0 O A:HOH360 3.8 44.3 1.0 C4 A:CDY338 4.0 37.7 1.0 C6 A:CDY338 4.0 36.8 1.0 N A:MET154 4.3 38.8 1.0 C A:VAL152 4.3 39.8 1.0 C5 A:CDY338 4.5 36.8 1.0 CA A:ALA111 4.5 40.9 1.0 OG1 A:THR245 4.5 36.5 1.0 CB A:VAL152 4.6 37.3 1.0 CE A:MET154 4.7 35.0 1.0 N A:VAL152 4.7 38.5 1.0 CA A:VAL152 4.8 37.4 1.0 O A:HOH459 4.8 39.8 1.0 CB A:MET154 4.9 35.8 1.0 CA A:MET154 4.9 37.8 1.0 SD A:MET154 4.9 38.1 1.0

K.L.Soldano, A.Jivan, C.V.Nicchitta, D.T.Gewirth. Structure of the N-Terminal Domain of GRP94. Basis For Ligand Specificity and Regulation J.Biol.Chem. V. 278 48330 2003.
ISSN: ISSN 0021-9258
PubMed: 12970348
DOI: 10.1074/JBC.M308661200