Chlorine in PDB 4hb2: Crystal Structure of CRM1-Ran-RANBP1

The structure of Crystal Structure of CRM1-Ran-RANBP1, PDB code: 4hb2 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 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.328, 106.328, 306.690, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 20.1

The structure of Crystal Structure of 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-Ran-RANBP1 (pdb code 4hb2). 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-Ran-RANBP1, PDB code: 4hb2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of 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-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:49.1 occ:1.00 O A:HOH438 3.1 31.7 1.0 N A:ARG95 3.2 15.9 1.0 NE A:ARG95 3.7 42.3 1.0 O A:THR93 3.7 19.1 1.0 CA A:SER94 3.7 16.1 1.0 CB A:ARG95 3.8 19.9 1.0 NE C:ARG898 3.9 41.6 1.0 NH1 A:ARG95 3.9 50.8 1.0 CG A:ARG95 4.0 25.1 1.0 C A:SER94 4.0 15.6 1.0 CG A:LYS130 4.0 21.3 1.0 CZ A:ARG95 4.0 45.7 1.0 CB A:LYS130 4.1 18.9 1.0 O A:HOH510 4.1 48.6 1.0 CA A:ARG95 4.1 16.8 1.0 O C:HOH1749 4.2 41.8 1.0 CD C:ARG898 4.4 39.7 1.0 C A:THR93 4.4 15.5 1.0 CD A:ARG95 4.4 32.4 1.0 CG C:ARG898 4.5 40.4 1.0 N A:SER94 4.5 14.7 1.0 NZ A:LYS130 4.5 27.6 1.0 CZ C:ARG898 4.5 39.8 1.0 CD A:LYS130 4.6 23.9 1.0 NH2 C:ARG898 4.7 43.1 1.0 O A:HOH459 4.7 32.7 1.0 OG A:SER94 4.8 20.5 1.0 CB A:SER94 4.8 16.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of 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-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1104 b:49.0 occ:1.00 O C:HOH1258 3.1 23.7 1.0 N C:GLU1009 3.2 16.2 1.0 N C:SER1008 3.6 15.3 1.0 CB C:GLU1009 3.6 19.4 1.0 CB C:THR1007 3.8 13.6 1.0 OG C:SER1008 3.9 24.7 1.0 CB C:SER1008 4.0 18.0 1.0 CA C:GLU1009 4.0 17.0 1.0 OG1 C:THR1007 4.1 13.6 1.0 CA C:SER1008 4.1 16.2 1.0 C C:SER1008 4.1 15.9 1.0 C C:THR1007 4.3 14.5 1.0 CA C:THR1007 4.5 14.1 1.0 O C:HOH1242 4.6 32.3 1.0 O C:HOH1484 4.6 39.5 1.0 CG2 C:THR1007 4.8 12.3 1.0 CG C:GLU1009 4.9 21.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of 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-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1105 b:48.4 occ:1.00 O C:LYS605 3.1 25.5 1.0 N C:TYR608 3.1 20.4 1.0 O C:HOH1734 3.3 47.4 1.0 O C:HOH1702 3.3 45.9 1.0 CB C:TYR608 3.3 25.3 1.0 N C:LYS607 3.4 20.8 1.0 C C:CYS606 3.5 20.6 1.0 CA C:CYS606 3.7 20.0 1.0 CA C:TYR608 3.8 22.1 1.0 C C:LYS605 3.8 21.4 1.0 CG C:LYS607 3.9 23.5 1.0 N C:CYS606 4.0 19.8 1.0 O C:CYS606 4.0 19.0 1.0 C C:LYS607 4.1 20.8 1.0 CA C:LYS607 4.2 20.1 1.0 CD C:LYS567 4.3 30.3 1.0 O C:HOH1509 4.5 47.3 1.0 CB C:LYS607 4.6 21.1 1.0 NZ C:LYS567 4.7 37.3 1.0 CG C:TYR608 4.7 26.5 1.0 O C:HOH1729 4.8 47.0 1.0 N C:HIS609 4.8 21.3 1.0 CD2 C:HIS609 4.8 24.8 1.0 OE2 C:GLU654 4.9 31.4 1.0 C C:TYR608 4.9 21.3 1.0 CD C:LYS607 5.0 27.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of 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-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1106 b:68.2 occ:1.00 NE2 C:GLN62 3.1 27.4 1.0 O C:HOH1360 3.2 38.1 1.0 O C:PRO61 3.5 21.7 1.0 C C:PRO61 3.6 23.5 1.0 CB C:PRO61 3.7 25.5 1.0 CB C:ASN113 3.9 30.9 1.0 N C:GLN62 4.0 21.2 1.0 CD C:GLN62 4.2 27.7 1.0 CA C:GLN62 4.2 21.4 1.0 N C:LEU114 4.2 25.0 1.0 CB C:PHE65 4.2 18.0 1.0 CD1 A:ILE81 4.3 18.6 1.0 CA C:PRO61 4.3 25.4 1.0 CD1 C:PHE65 4.4 17.5 1.0 CG2 A:ILE81 4.4 15.9 1.0 CG C:GLN62 4.4 25.1 1.0 CB C:LEU114 4.5 23.5 1.0 CA C:LEU114 4.6 24.2 1.0 ND2 C:ASN113 4.6 38.2 1.0 C C:ASN113 4.7 26.8 1.0 CG C:PHE65 4.7 17.6 1.0 CG C:ASN113 4.8 32.9 1.0 CG1 A:ILE81 4.9 17.9 1.0 CA C:ASN113 4.9 28.1 1.0 CB C:GLN62 4.9 23.5 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