Chlorine in PDB 4hb4: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1, PDB code: 4hb4 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 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.970, 105.970, 304.934, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.8

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-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 Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1 (pdb code 4hb4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1, PDB code: 4hb4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-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(537DLTVK541/Glceq)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1104 b:72.1 occ:1.00 O C:HOH1258 3.2 37.9 1.0 N C:GLU1009 3.6 20.1 1.0 CB C:THR1007 3.9 16.6 1.0 N C:SER1008 3.9 18.3 1.0 CB C:GLU1009 3.9 21.1 0.5 CB C:GLU1009 3.9 20.7 0.5 CB C:SER1008 4.0 19.6 1.0 OG1 C:THR1007 4.1 17.0 1.0 CA C:SER1008 4.3 19.4 1.0 CA C:GLU1009 4.4 20.5 0.5 CA C:GLU1009 4.4 20.3 0.5 O C:HOH1476 4.4 51.5 1.0 C C:SER1008 4.5 19.9 1.0 O C:HOH1242 4.5 42.4 1.0 C C:THR1007 4.6 17.1 1.0 OG C:SER1008 4.7 20.1 1.0 CA C:THR1007 4.7 16.6 1.0 CG2 C:THR1007 4.8 16.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-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(537DLTVK541/Glceq)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1105 b:64.1 occ:1.00 O C:LYS605 3.1 22.4 1.0 O C:HOH1656 3.4 52.0 1.0 CB C:TYR608 3.4 27.5 1.0 N C:TYR608 3.7 23.1 1.0 CA C:CYS606 3.7 24.1 1.0 C C:CYS606 3.8 25.3 1.0 NZ C:LYS567 3.9 34.1 1.0 C C:LYS605 3.9 24.1 1.0 CE C:LYS567 3.9 28.2 1.0 N C:LYS607 4.1 24.3 1.0 O C:CYS606 4.1 27.2 1.0 CA C:TYR608 4.2 25.2 1.0 O C:HOH1635 4.2 54.5 1.0 CD C:LYS567 4.2 25.2 1.0 N C:CYS606 4.2 23.2 1.0 CD2 C:HIS609 4.3 23.7 1.0 O C:HOH1501 4.6 48.6 1.0 CG C:TYR608 4.7 34.0 1.0 C C:LYS607 4.8 23.9 1.0 CG C:LYS607 4.9 24.6 1.0 N C:HIS609 4.9 25.5 1.0 CG C:LYS567 4.9 24.0 1.0 NE2 C:HIS609 4.9 22.6 1.0 CA C:LYS607 4.9 23.2 1.0 CB C:CYS606 5.0 23.3 1.0 CD C:LYS607 5.0 28.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-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(537DLTVK541/Glceq)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1106 b:78.3 occ:1.00 O C:HOH1361 3.0 51.7 1.0 NE2 C:GLN62 3.4 30.5 1.0 CB C:PRO61 3.5 33.4 1.0 O C:PRO61 3.5 29.6 1.0 C C:PRO61 3.5 31.3 1.0 N C:GLN62 3.8 30.9 1.0 CB C:ASN113 4.0 36.6 1.0 N C:LEU114 4.0 31.0 1.0 CB C:LEU114 4.1 29.5 1.0 CA C:PRO61 4.1 32.7 1.0 CB C:PHE65 4.2 32.8 1.0 CA C:GLN62 4.2 31.2 1.0 CD1 C:PHE65 4.3 34.0 1.0 CA C:LEU114 4.3 30.0 1.0 CD C:GLN62 4.4 31.5 1.0 C C:ASN113 4.6 32.2 1.0 CD1 A:ILE81 4.6 24.3 1.0 CG C:PHE65 4.7 33.5 1.0 CG C:GLN62 4.7 31.6 1.0 CG2 A:ILE81 4.7 20.3 1.0 CG C:PRO61 4.8 34.0 1.0 CD1 C:LEU114 4.9 29.1 1.0 CG1 A:ILE81 4.9 26.6 1.0 CA C:ASN113 4.9 34.7 1.0 ND2 C:ASN113 4.9 38.3 1.0 O C:HOH1666 5.0 65.3 1.0 CG C:LEU114 5.0 29.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(537DLTVK541/Glceq)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1107 b:92.2 occ:1.00 NH1 C:ARG227 3.3 58.9 1.0 CD2 C:TYR228 3.8 44.6 1.0 CE2 C:TYR228 3.9 45.8 1.0 OE2 C:GLU191 3.9 53.9 1.0 CG C:TYR228 4.4 42.6 1.0 CA C:TYR228 4.4 40.1 1.0 CD C:ARG227 4.4 51.2 1.0 CZ C:TYR228 4.5 46.0 1.0 CZ C:ARG227 4.5 59.0 1.0 N C:TYR228 4.5 39.4 1.0 OE1 C:GLU191 4.6 53.9 1.0 CG C:ARG227 4.6 47.1 1.0 O C:ARG227 4.7 37.5 1.0 C C:ARG227 4.7 39.5 1.0 CD C:GLU191 4.7 50.5 1.0 CG2 C:THR232 4.9 38.2 1.0 CD1 C:TYR228 4.9 43.8 1.0 NE C:ARG227 4.9 55.2 1.0 CE1 C:TYR228 4.9 45.3 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