Chlorine in PDB 6m6x: Oridonin in Complex with CRM1#-Ran-RANBP1

The structure of Oridonin in Complex with CRM1#-Ran-RANBP1, PDB code: 6m6x was solved by Q.Sun, Y.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.70 / 2.88
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.14, 106.14, 303.29, 90, 90, 90
R / Rfree (%)	21.6 / 23.3

The structure of Oridonin in Complex with CRM1#-Ran-RANBP1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Oridonin in Complex with CRM1#-Ran-RANBP1 (pdb code 6m6x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Oridonin in Complex with CRM1#-Ran-RANBP1, PDB code: 6m6x:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Oridonin 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 Oridonin in Complex with CRM1#-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1101 b:134.7 occ:1.00 O C:HOH1211 3.4 65.3 1.0 N C:GLU1009 3.4 87.0 1.0 N C:SER1008 3.6 79.7 1.0 CB C:GLU1009 3.6 92.3 1.0 CB C:THR1007 3.7 77.8 1.0 CB C:SER1008 3.9 82.0 1.0 CA C:SER1008 4.1 81.1 1.0 CA C:GLU1009 4.1 87.8 1.0 OG1 C:THR1007 4.2 76.1 1.0 C C:SER1008 4.2 83.3 1.0 OG C:SER1008 4.3 82.4 1.0 C C:THR1007 4.3 77.5 1.0 CA C:THR1007 4.4 77.8 1.0 CG2 C:THR1007 4.5 77.2 1.0 CG C:GLU1009 4.9 96.8 1.0

Chlorine binding site 2 out of 4 in the Oridonin 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 Oridonin in Complex with CRM1#-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1102 b:150.5 occ:1.00 CB C:TYR608 3.3 101.3 1.0 N C:TYR608 3.4 101.0 1.0 NZ C:LYS567 3.6 99.0 1.0 O C:LYS605 3.7 100.6 1.0 CA C:TYR608 3.9 101.2 1.0 N C:LYS607 3.9 104.1 1.0 CG C:LYS607 4.0 107.5 1.0 CE C:LYS567 4.2 98.0 1.0 C C:CYS606 4.2 103.8 1.0 CA C:CYS606 4.4 102.0 1.0 C C:LYS607 4.4 101.7 1.0 C C:LYS605 4.5 100.3 1.0 CG C:TYR608 4.6 103.6 1.0 CA C:LYS607 4.6 103.2 1.0 N C:CYS606 4.8 101.3 1.0 CB C:LYS607 4.9 105.6 1.0 O C:CYS606 4.9 103.0 1.0

Chlorine binding site 3 out of 4 in the Oridonin 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 Oridonin in Complex with CRM1#-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1103 b:127.7 occ:1.00 O C:PRO61 3.4 100.3 1.0 NE2 C:GLN62 3.5 97.2 1.0 CB C:PRO61 3.5 98.8 1.0 C C:PRO61 3.6 99.3 1.0 CB C:ASN113 3.6 98.1 1.0 N C:GLN62 4.0 97.9 1.0 N C:LEU114 4.0 98.9 1.0 CB C:LEU114 4.2 98.8 1.0 CA C:PRO61 4.2 99.8 1.0 CA C:GLN62 4.3 95.7 1.0 CB C:PHE65 4.3 89.6 1.0 CD2 C:PHE65 4.4 87.7 1.0 CA C:LEU114 4.4 98.1 1.0 CD C:GLN62 4.5 97.3 1.0 CG C:GLN62 4.5 96.4 1.0 C C:ASN113 4.5 98.4 1.0 ND2 C:ASN113 4.5 99.8 1.0 CG C:ASN113 4.6 97.8 1.0 CA C:ASN113 4.6 98.3 1.0 CD1 A:ILE81 4.7 94.5 1.0 CG C:PHE65 4.7 87.3 1.0 CG2 A:ILE81 4.8 92.8 1.0 CG C:PRO61 4.9 100.4 1.0

Chlorine binding site 4 out of 4 in the Oridonin 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 Oridonin in Complex with CRM1#-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1104 b:104.8 occ:1.00 NH1 C:ARG227 3.5 113.5 1.0 O C:ARG227 4.3 105.6 1.0 CG C:ARG227 4.4 107.6 1.0 CD1 C:TYR228 4.4 98.0 1.0 CE1 C:TYR228 4.5 98.9 1.0 OE1 C:GLU231 4.5 106.5 1.0 C C:ARG227 4.6 102.2 1.0 CZ C:ARG227 4.7 112.9 1.0 CB C:ARG227 4.7 106.2 1.0 CD C:ARG227 4.7 109.8 1.0 N C:TYR228 4.8 99.0 1.0 CA C:TYR228 4.8 98.2 1.0 CG2 C:THR232 4.9 98.0 1.0 CZ C:TYR228 4.9 97.9 1.0 CG C:TYR228 4.9 96.9 1.0 OE2 C:GLU191 4.9 112.3 1.0 CB C:GLU231 4.9 102.0 1.0 O C:GLU231 5.0 101.7 1.0

Q.Sun, Y.Lei. Plumbagin in Complex with CRM1#-Ran-RANBP1 To Be Published.