Chlorine in PDB 4haw: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1, PDB code: 4haw 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 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.574, 106.574, 306.966, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.9

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 (pdb code 4haw). 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 Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1, PDB code: 4haw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-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 Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1105 b:62.7 occ:1.00 N C:GLU1009 3.0 19.2 1.0 O C:HOH1258 3.3 26.1 1.0 N C:SER1008 3.5 17.0 1.0 CB C:GLU1009 3.5 22.4 0.5 CB C:GLU1009 3.6 23.3 0.5 CB C:SER1008 3.6 23.1 1.0 CB C:THR1007 3.7 16.6 1.0 CA C:GLU1009 3.9 21.1 0.5 CA C:SER1008 3.9 20.2 1.0 CA C:GLU1009 3.9 21.1 0.5 C C:SER1008 3.9 19.3 1.0 OG1 C:THR1007 4.0 18.8 1.0 O C:HOH1242 4.2 35.3 1.0 C C:THR1007 4.3 17.2 1.0 OG C:SER1008 4.3 28.0 1.0 O C:HOH1487 4.4 56.2 1.0 CA C:THR1007 4.5 16.1 1.0 CG2 C:THR1007 4.7 15.4 1.0 CG C:GLU1009 4.9 23.2 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-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 Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1106 b:58.9 occ:1.00 O C:LYS605 3.1 23.9 1.0 N C:TYR608 3.3 23.8 1.0 O C:HOH1720 3.4 46.4 1.0 CB C:TYR608 3.4 28.8 1.0 C C:CYS606 3.5 21.4 1.0 N C:LYS607 3.6 22.0 1.0 CA C:CYS606 3.6 21.4 1.0 O C:HOH1693 3.7 53.5 1.0 CE C:LYS567 3.8 33.5 1.0 O C:CYS606 3.9 21.2 1.0 C C:LYS605 3.9 23.1 1.0 CA C:TYR608 3.9 24.5 1.0 N C:CYS606 4.1 20.3 1.0 NZ C:LYS567 4.2 42.1 1.0 C C:LYS607 4.3 20.9 1.0 CA C:LYS607 4.4 21.2 1.0 CD2 C:HIS609 4.5 26.1 1.0 CG C:LYS607 4.5 23.8 1.0 CD C:LYS607 4.5 25.9 1.0 O C:HOH1512 4.6 48.3 1.0 N C:HIS609 4.7 24.2 1.0 CG C:TYR608 4.7 32.5 1.0 CD C:LYS567 4.9 32.9 1.0 C C:TYR608 4.9 24.6 1.0 CE C:LYS607 4.9 32.5 1.0 CB C:CYS606 5.0 20.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-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 Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1107 b:72.1 occ:1.00 O C:HOH1364 3.1 43.8 1.0 O C:HOH1831 3.2 68.3 1.0 NE2 C:GLN62 3.3 28.2 1.0 O C:PRO61 3.4 25.4 1.0 C C:PRO61 3.7 26.2 1.0 CB C:PRO61 3.8 29.9 1.0 CB C:ASN113 3.8 33.9 1.0 N C:GLN62 4.1 25.2 1.0 N C:LEU114 4.1 27.2 1.0 CB C:PHE65 4.1 19.5 1.0 CD1 C:PHE65 4.1 20.2 1.0 CA C:GLN62 4.3 25.4 1.0 CB C:LEU114 4.3 25.7 1.0 CD C:GLN62 4.3 28.0 1.0 CA C:PRO61 4.3 28.9 1.0 CD1 A:ILE81 4.4 20.8 1.0 CA C:LEU114 4.4 26.1 1.0 O C:HOH1739 4.5 56.7 1.0 CG C:GLN62 4.5 27.4 1.0 CG2 A:ILE81 4.5 18.8 1.0 CG C:PHE65 4.6 19.8 1.0 C C:ASN113 4.6 29.0 1.0 ND2 C:ASN113 4.7 37.6 1.0 CG C:ASN113 4.8 36.3 1.0 CA C:ASN113 4.9 31.6 1.0 CG1 A:ILE81 4.9 21.0 1.0 CD1 C:LEU114 5.0 26.1 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