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Chlorine in PDB 4haz: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1

Protein crystallography data

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1, PDB code: 4haz 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 (°) 105.820, 105.820, 305.231, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.9

Other elements in 4haz:

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1 (pdb code 4haz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1, PDB code: 4haz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4haz

Go back to Chlorine Binding Sites List in 4haz
Chlorine binding site 1 out of 5 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,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(R543S,K548E,K579Q)-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:72.1
occ:1.00
 O A:HOH595 2.9 56.7 1.0
OD2 A:ASP107 3.5 22.6 1.0
CB A:ASN103 4.1 18.6 1.0
CE2 A:TRP104 4.1 14.2 1.0
CD2 A:TRP104 4.1 13.1 1.0
CZ2 A:TRP104 4.2 15.1 1.0
CE3 A:TRP104 4.3 13.5 1.0
CH2 A:TRP104 4.3 15.1 1.0
CZ3 A:TRP104 4.3 15.4 1.0
NH2 A:ARG106 4.3 27.4 1.0
O A:HOH462 4.5 40.0 1.0
C A:ASN103 4.5 15.8 1.0
O A:ASN103 4.6 14.9 1.0
N A:TRP104 4.6 15.0 1.0
CG A:ASP107 4.6 21.3 1.0
NE1 A:TRP104 4.6 14.5 1.0
CG A:TRP104 4.7 13.6 1.0
O A:HOH499 4.8 47.8 1.0
O A:HOH465 4.8 39.8 1.0
CA A:TRP104 4.9 15.3 1.0
CA A:ASN103 5.0 16.7 1.0
CD1 A:TRP104 5.0 14.3 1.0

Chlorine binding site 2 out of 5 in 4haz

Go back to Chlorine Binding Sites List in 4haz
Chlorine binding site 2 out of 5 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,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(R543S,K548E,K579Q)-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1102

b:70.0
occ:1.00
 O C:HOH1259 3.6 29.9 1.0
N C:GLU1009 3.7 16.4 1.0
CB C:GLU1009 3.9 19.8 0.5
CB C:GLU1009 3.9 18.9 0.5
CB C:THR1007 4.1 14.4 1.0
N C:SER1008 4.2 15.1 1.0
O C:HOH1243 4.3 29.3 1.0
CB C:SER1008 4.3 17.4 1.0
OG1 C:THR1007 4.3 15.2 1.0
CA C:GLU1009 4.4 17.4 0.5
CA C:GLU1009 4.4 17.2 0.5
CA C:SER1008 4.6 15.4 1.0
C C:SER1008 4.6 16.1 1.0
O C:HOH1493 4.8 42.5 1.0
C C:THR1007 4.9 14.3 1.0
CG2 C:THR1007 4.9 13.9 1.0
OE1 C:GLU1009 4.9 29.7 0.5
OG C:SER1008 4.9 21.1 1.0
CA C:THR1007 5.0 13.3 1.0

Chlorine binding site 3 out of 5 in 4haz

Go back to Chlorine Binding Sites List in 4haz
Chlorine binding site 3 out of 5 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,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(R543S,K548E,K579Q)-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1103

b:52.0
occ:1.00
 O C:LYS605 3.1 24.5 1.0
CB C:TYR608 3.4 25.6 1.0
N C:TYR608 3.5 21.9 1.0
C C:CYS606 3.7 21.1 1.0
CA C:CYS606 3.7 20.3 1.0
CE C:LYS567 3.9 28.2 1.0
C C:LYS605 4.0 21.6 1.0
N C:LYS607 4.0 21.3 1.0
O C:CYS606 4.0 21.9 1.0
CA C:TYR608 4.1 22.8 1.0
NZ C:LYS567 4.1 31.5 1.0
N C:CYS606 4.2 20.2 1.0
O C:HOH1704 4.3 51.4 1.0
CG C:LYS607 4.4 25.0 1.0
CD2 C:HIS609 4.4 21.7 1.0
CD C:LYS567 4.5 28.2 1.0
C C:LYS607 4.6 22.5 1.0
O C:HOH1519 4.6 40.1 1.0
CG C:TYR608 4.7 29.5 1.0
CA C:LYS607 4.7 21.9 1.0
N C:HIS609 4.8 21.6 1.0
CG C:LYS567 4.9 25.3 1.0
C C:TYR608 5.0 22.4 1.0

Chlorine binding site 4 out of 5 in 4haz

Go back to Chlorine Binding Sites List in 4haz
Chlorine binding site 4 out of 5 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,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(R543S,K548E,K579Q)-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1104

b:65.1
occ:1.00
 O C:HOH1365 3.3 35.9 1.0
NE2 C:GLN62 3.4 25.1 1.0
O C:HOH1825 3.5 52.6 1.0
O C:PRO61 3.6 18.8 1.0
C C:PRO61 3.8 21.4 1.0
CB C:PRO61 3.8 22.4 1.0
CB C:ASN113 3.9 32.0 1.0
N C:LEU114 4.0 24.0 1.0
CD1 C:PHE65 4.1 22.6 1.0
N C:GLN62 4.1 20.4 1.0
CB C:PHE65 4.2 20.9 1.0
CB C:LEU114 4.2 19.8 1.0
CA C:LEU114 4.3 21.3 1.0
CD C:GLN62 4.3 22.6 1.0
CA C:GLN62 4.3 19.2 1.0
CA C:PRO61 4.4 22.0 1.0
CD1 A:ILE81 4.5 14.9 1.0
CG2 A:ILE81 4.5 14.8 1.0
C C:ASN113 4.5 25.9 1.0
CG C:GLN62 4.6 22.3 1.0
CG C:PHE65 4.6 20.7 1.0
ND2 C:ASN113 4.8 31.9 1.0
CA C:ASN113 4.8 28.8 1.0
CG1 A:ILE81 4.8 15.7 1.0
CD1 C:LEU114 4.9 18.8 1.0
CG C:ASN113 4.9 36.2 1.0
O C:HOH1750 5.0 58.6 1.0

Chlorine binding site 5 out of 5 in 4haz

Go back to Chlorine Binding Sites List in 4haz
Chlorine binding site 5 out of 5 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(R543S,K548E,K579Q)-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1105

b:77.8
occ:1.00
 OE2 C:GLU191 3.5 34.2 0.5
NH1 C:ARG227 3.6 52.8 1.0
CE2 C:TYR228 4.0 32.1 1.0
CD2 C:TYR228 4.0 27.0 1.0
OE1 C:GLU191 4.2 36.0 0.5
CD C:GLU191 4.3 35.7 0.5
CD C:ARG227 4.5 42.7 1.0
CG C:ARG227 4.5 36.2 1.0
CZ C:TYR228 4.6 33.1 1.0
CG C:TYR228 4.6 26.2 1.0
CA C:TYR228 4.7 28.5 1.0
O C:ARG227 4.7 26.0 1.0
N C:TYR228 4.8 27.5 1.0
CZ C:ARG227 4.8 46.9 1.0
C C:ARG227 4.8 26.9 1.0
CG2 C:THR232 4.9 29.2 1.0

Reference:

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
Page generated: Sun Jul 21 15:39:23 2024

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