Chlorine in PDB 4hb0: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1, PDB code: 4hb0 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 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.536, 105.536, 305.044, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.5

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1 (pdb code 4hb0). 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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1, PDB code: 4hb0:
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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1102 b:80.7 occ:1.00 O C:HOH1255 3.4 38.7 1.0 N C:GLU1009 3.9 40.2 1.0 CB C:THR1007 3.9 40.6 1.0 CB C:GLU1009 4.0 42.2 0.5 CB C:GLU1009 4.0 42.2 0.5 O C:HOH1239 4.2 43.7 1.0 N C:SER1008 4.2 40.5 1.0 OG1 C:THR1007 4.2 40.8 1.0 CB C:SER1008 4.4 41.6 1.0 CA C:GLU1009 4.5 41.0 0.5 CA C:GLU1009 4.6 41.1 0.5 O C:HOH1461 4.7 53.8 1.0 CA C:SER1008 4.7 40.6 1.0 CG2 C:THR1007 4.7 38.9 1.0 C C:SER1008 4.8 40.5 1.0 OG C:SER1008 4.9 45.0 1.0 C C:THR1007 4.9 38.2 1.0 CA C:THR1007 4.9 38.5 1.0 OE1 C:GLU1009 5.0 46.2 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1103 b:57.2 occ:1.00 O C:LYS605 3.2 37.5 1.0 CB C:TYR608 3.5 52.2 1.0 N C:TYR608 3.7 46.2 1.0 C C:CYS606 3.8 41.5 1.0 CA C:CYS606 3.8 40.6 1.0 NZ C:LYS567 3.9 51.9 1.0 CE C:LYS567 4.0 47.7 1.0 O C:CYS606 4.0 41.9 1.0 C C:LYS605 4.1 40.0 1.0 CD C:LYS567 4.2 46.0 1.0 N C:LYS607 4.2 41.6 1.0 CD2 C:HIS609 4.2 49.1 1.0 CA C:TYR608 4.2 49.1 1.0 N C:CYS606 4.3 39.7 1.0 CG C:TYR608 4.6 56.2 1.0 N C:HIS609 4.8 49.5 1.0 CG C:LYS567 4.8 44.6 1.0 C C:LYS607 4.8 44.7 1.0 NE2 C:HIS609 4.8 50.0 1.0 CG C:LYS607 4.9 44.9 1.0 CA C:LYS607 5.0 42.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1104 b:73.8 occ:1.00 O C:HOH1351 3.3 42.4 1.0 NE2 C:GLN62 3.3 53.5 1.0 O C:PRO61 3.4 52.6 1.0 C C:PRO61 3.6 56.1 1.0 CB C:PRO61 3.6 58.8 1.0 CB C:ASN113 3.8 59.9 1.0 N C:GLN62 3.9 56.3 1.0 N C:LEU114 4.0 54.7 1.0 CB C:LEU114 4.0 56.1 1.0 CB C:PHE65 4.1 52.2 1.0 CD1 C:PHE65 4.1 52.2 1.0 CA C:LEU114 4.2 54.1 1.0 CA C:PRO61 4.2 58.0 1.0 CA C:GLN62 4.3 54.9 1.0 CD C:GLN62 4.4 57.1 1.0 C C:ASN113 4.5 55.8 1.0 CG C:PHE65 4.5 51.7 1.0 CD1 A:ILE81 4.6 46.8 1.0 CG2 A:ILE81 4.6 45.2 1.0 CG C:GLN62 4.7 56.2 1.0 CD1 C:LEU114 4.8 52.4 1.0 ND2 C:ASN113 4.8 64.7 1.0 CA C:ASN113 4.8 58.7 1.0 CG C:PRO61 4.8 59.5 1.0 CG C:ASN113 4.9 62.9 1.0 CG C:LEU114 4.9 55.5 1.0 O C:HOH1631 5.0 51.8 1.0 CG1 A:ILE81 5.0 46.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-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(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1105 b:80.3 occ:1.00 NH1 C:ARG227 3.6 70.5 1.0 CE2 C:TYR228 4.0 60.6 1.0 CD2 C:TYR228 4.0 57.8 1.0 OE2 C:GLU191 4.1 84.9 1.0 CD C:ARG227 4.2 66.8 1.0 CG C:ARG227 4.5 61.5 1.0 OE1 C:GLU191 4.5 77.7 1.0 CZ C:TYR228 4.6 60.5 1.0 CG C:TYR228 4.6 53.2 1.0 CZ C:ARG227 4.6 70.5 1.0 CA C:TYR228 4.6 53.8 1.0 O C:ARG227 4.7 51.1 1.0 CD C:GLU191 4.8 75.3 1.0 N C:TYR228 4.8 53.9 1.0 C C:ARG227 4.8 53.5 1.0 NE C:ARG227 4.9 69.7 1.0 CB C:ARG227 4.9 58.5 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