Chlorine in PDB 4hav: Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-Ran-RANBP1, PDB code: 4hav 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 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.239, 106.239, 306.391, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22

The structure of Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-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 Anguinomycin A in Complex with CRM1-Ran-RANBP1 (pdb code 4hav). 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 Anguinomycin A in Complex with CRM1-Ran-RANBP1, PDB code: 4hav:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-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 Anguinomycin A in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:72.2 occ:1.00 CB A:ASN103 3.9 17.3 1.0 OD2 A:ASP107 4.0 23.2 1.0 CE2 A:TRP104 4.0 21.2 1.0 CD2 A:TRP104 4.1 20.8 1.0 O A:HOH459 4.2 47.3 1.0 CZ2 A:TRP104 4.2 22.3 1.0 NE1 A:TRP104 4.4 22.1 1.0 C A:ASN103 4.4 17.1 1.0 CE3 A:TRP104 4.4 20.9 1.0 CH2 A:TRP104 4.4 23.3 1.0 N A:TRP104 4.5 16.6 1.0 CZ3 A:TRP104 4.5 21.9 1.0 NH2 A:ARG106 4.6 33.1 1.0 CG A:TRP104 4.6 19.9 1.0 O A:ASN103 4.6 16.4 1.0 O A:HOH490 4.7 49.1 1.0 CD1 A:TRP104 4.7 21.1 1.0 CA A:ASN103 4.8 16.7 1.0 CG A:ASN103 4.9 17.6 1.0 CA A:TRP104 4.9 19.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-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 Anguinomycin A in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1102 b:86.1 occ:1.00 N C:GLU1009 3.5 24.4 1.0 O C:HOH1257 3.6 24.7 1.0 CB C:GLU1009 3.6 26.4 0.5 CB C:THR1007 3.8 21.9 1.0 N C:SER1008 3.8 22.6 1.0 CB C:SER1008 4.0 27.5 1.0 CB C:GLU1009 4.0 26.5 0.5 OG1 C:THR1007 4.0 21.7 1.0 CA C:GLU1009 4.2 25.4 0.5 CA C:SER1008 4.3 25.3 1.0 CA C:GLU1009 4.3 25.9 0.5 O C:HOH1242 4.4 42.8 1.0 C C:SER1008 4.4 24.7 1.0 C C:THR1007 4.6 21.8 1.0 CA C:THR1007 4.7 21.0 1.0 O C:HOH1463 4.7 43.0 1.0 CG2 C:THR1007 4.8 18.1 1.0 OG C:SER1008 4.8 28.1 1.0 CG C:GLU1009 4.9 26.6 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-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 Anguinomycin A in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1103 b:61.2 occ:1.00 N C:TYR608 3.1 27.4 1.0 O C:LYS605 3.1 29.4 1.0 CB C:TYR608 3.2 32.4 1.0 C C:CYS606 3.3 27.7 1.0 N C:LYS607 3.5 26.6 1.0 CA C:CYS606 3.5 25.5 1.0 O C:CYS606 3.6 26.4 1.0 O C:HOH1626 3.7 69.6 1.0 CA C:TYR608 3.8 28.3 1.0 O C:HOH1644 3.8 51.0 1.0 C C:LYS605 3.9 29.0 1.0 N C:CYS606 4.0 25.7 1.0 C C:LYS607 4.1 26.9 1.0 CE C:LYS567 4.1 40.1 1.0 CG C:LYS607 4.1 30.6 1.0 NZ C:LYS567 4.2 52.5 1.0 CA C:LYS607 4.2 28.2 1.0 CD2 C:HIS609 4.3 36.7 1.0 N C:HIS609 4.5 28.0 1.0 CG C:TYR608 4.6 36.4 1.0 C C:TYR608 4.7 28.8 1.0 CB C:LYS607 4.8 28.6 1.0 CB C:CYS606 4.9 24.2 1.0 O C:HOH1485 4.9 63.0 1.0 NZ C:LYS607 4.9 37.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of CRM1 Inhibitor Anguinomycin A in Complex with CRM1-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 Anguinomycin A in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1104 b:72.6 occ:1.00 NE2 C:GLN62 3.1 31.4 1.0 O C:HOH1357 3.2 41.8 1.0 O C:PRO61 3.3 31.4 1.0 C C:PRO61 3.5 31.5 1.0 CB C:PRO61 3.5 34.6 1.0 N C:GLN62 3.9 30.1 1.0 CB C:ASN113 4.0 37.5 1.0 CA C:PRO61 4.1 33.5 1.0 N C:LEU114 4.1 30.7 1.0 CA C:GLN62 4.1 29.8 1.0 CB C:PHE65 4.1 24.8 1.0 CD C:GLN62 4.2 30.9 1.0 CD1 C:PHE65 4.2 25.5 1.0 CB C:LEU114 4.2 28.4 1.0 CA C:LEU114 4.4 28.9 1.0 CD1 A:ILE81 4.5 22.1 1.0 CG C:GLN62 4.5 30.4 1.0 CG2 A:ILE81 4.6 23.5 1.0 C C:ASN113 4.6 32.0 1.0 CG C:PHE65 4.6 25.2 1.0 ND2 C:ASN113 4.8 42.8 1.0 CG C:PRO61 4.9 35.6 1.0 O C:HOH1658 4.9 56.5 1.0 CB C:GLN62 4.9 30.3 1.0 CA C:ASN113 4.9 35.0 1.0 OE1 C:GLN111 5.0 40.4 0.5 CG C:ASN113 5.0 39.9 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