Chlorine in PDB 4hax: Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1, PDB code: 4hax was solved by Q.Sun, Y.M.Chook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.28
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.190, 106.190, 306.070, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.6

The structure of Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1 (pdb code 4hax). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1, PDB code: 4hax:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1


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 CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1107 b:73.8 occ:1.00 O C:HOH1475 3.0 62.7 1.0 O C:HOH1256 3.4 39.8 1.0 N C:GLU1009 3.6 42.8 1.0 CB C:GLU1009 3.6 45.9 0.5 CB C:THR1007 3.6 39.6 1.0 CB C:GLU1009 3.7 42.9 0.5 N C:SER1008 3.9 40.8 1.0 OG1 C:THR1007 3.9 39.0 1.0 CA C:GLU1009 4.2 43.5 0.5 CA C:GLU1009 4.2 42.3 0.5 O C:HOH1240 4.3 42.4 1.0 CB C:SER1008 4.4 43.0 1.0 CA C:SER1008 4.5 41.9 1.0 C C:SER1008 4.5 41.9 1.0 C C:THR1007 4.5 39.1 1.0 CA C:THR1007 4.6 39.1 1.0 CG2 C:THR1007 4.6 38.9 1.0 OG C:SER1008 4.8 45.2 1.0 CG C:GLU1009 4.9 47.6 0.5 OE2 C:GLU1009 4.9 43.9 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1108 b:72.6 occ:1.00 O C:LYS605 3.1 46.1 1.0 CB C:TYR608 3.4 53.0 1.0 N C:TYR608 3.5 48.7 1.0 O C:HOH1682 3.5 66.1 1.0 O C:HOH1657 3.6 60.0 1.0 C C:CYS606 3.6 45.3 1.0 CA C:CYS606 3.7 44.5 1.0 N C:LYS607 3.8 45.7 1.0 CE C:LYS567 3.9 51.0 1.0 C C:LYS605 3.9 44.9 1.0 O C:CYS606 4.0 43.8 1.0 CA C:TYR608 4.0 51.4 1.0 N C:CYS606 4.1 43.4 1.0 NZ C:LYS567 4.3 52.6 1.0 CD2 C:HIS609 4.3 51.7 1.0 O C:HOH1497 4.4 59.7 1.0 C C:LYS607 4.5 47.9 1.0 CG C:TYR608 4.6 55.8 1.0 CG C:LYS607 4.7 48.6 1.0 CA C:LYS607 4.7 47.2 1.0 CD C:LYS567 4.7 49.4 1.0 N C:HIS609 4.8 50.5 1.0 CD C:LYS607 4.9 50.4 1.0 NE2 C:HIS609 4.9 54.0 1.0 C C:TYR608 5.0 51.6 1.0 CB C:CYS606 5.0 44.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of CRM1 Inhibitor Ratjadone A in Complex with CRM1(K579A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1109 b:78.1 occ:1.00 NE2 C:GLN62 3.2 54.8 1.0 O C:HOH1357 3.2 54.6 1.0 CB C:PRO61 3.4 57.1 1.0 O C:PRO61 3.5 52.2 1.0 C C:PRO61 3.6 54.8 1.0 O C:HOH1766 3.8 68.9 1.0 CB C:ASN113 3.9 59.3 1.0 N C:GLN62 3.9 54.3 1.0 CA C:PRO61 4.1 57.0 1.0 CD C:GLN62 4.2 55.1 1.0 CA C:GLN62 4.2 53.5 1.0 CB C:PHE65 4.3 46.3 1.0 CD1 C:PHE65 4.3 45.8 1.0 N C:LEU114 4.3 53.4 1.0 CG2 A:ILE81 4.4 44.3 1.0 CD1 A:ILE81 4.5 45.9 1.0 CG C:GLN62 4.5 53.8 1.0 CB C:LEU114 4.5 54.1 1.0 ND2 C:ASN113 4.6 62.8 1.0 CA C:LEU114 4.7 53.4 1.0 C C:ASN113 4.7 54.6 1.0 CG C:PRO61 4.8 59.4 1.0 CG C:PHE65 4.8 45.7 1.0 CG C:ASN113 4.8 61.5 1.0 CA C:ASN113 4.9 56.5 1.0 O C:HOH1697 4.9 60.5 1.0 CG1 A:ILE81 5.0 44.5 1.0 CB C:GLN62 5.0 54.5 1.0

Q.Sun, Y.P.Carrasco, Y.Hu, X.Guo, H.Mirzaei, J.Macmillan, Y.M.Chook. Nuclear Export Inhibition Through Covalent Conjugation and Hydrolysis of Leptomycin B By CRM1. Proc.Natl.Acad.Sci.Usa V. 110 1303 2013.
ISSN: ISSN 0027-8424
PubMed: 23297231
DOI: 10.1073/PNAS.1217203110