Chlorine in PDB 9gr7: Psim in Complex with Sinefungin

The structure of Psim in Complex with Sinefungin, PDB code: 9gr7 was solved by J.Hudspeth, B.Rupp, S.Werten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.11 / 1.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.963, 78.37, 83.818, 90, 90, 90
R / Rfree (%)	14.6 / 16.4

The binding sites of Chlorine atom in the Psim in Complex with Sinefungin (pdb code 9gr7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Psim in Complex with Sinefungin, PDB code: 9gr7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Psim in Complex with Sinefungin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Psim in Complex with Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:15.3 occ:1.00 OH A:TYR114 3.0 11.6 1.0 ND2 A:ASN247 3.3 15.4 1.0 NH1 A:ARG281 3.3 18.1 1.0 NH2 A:ARG281 3.3 18.6 1.0 O A:ASN74 3.4 16.1 0.5 CB A:TYR78 3.6 11.4 1.0 CA A:ARG75 3.7 12.9 1.0 O A:ASN74 3.7 12.5 0.5 CZ A:ARG281 3.8 16.9 1.0 CD A:ARG75 3.9 15.5 1.0 CZ A:TYR114 3.9 10.3 1.0 CE1 A:TYR114 3.9 10.4 1.0 C A:ASN74 4.0 14.7 0.5 CD2 A:TYR78 4.0 10.7 1.0 C A:ASN74 4.1 13.3 0.5 N A:ARG75 4.1 13.1 1.0 O A:ARG75 4.3 12.3 1.0 OH A:TYR274 4.3 16.3 1.0 CG A:TYR78 4.3 10.3 1.0 C A:ARG75 4.4 11.7 1.0 CG A:ASN247 4.4 14.1 1.0 N A:TYR78 4.5 11.1 1.0 CZ A:TYR274 4.5 15.2 1.0 CE2 A:TYR274 4.6 18.1 1.0 CB A:ARG75 4.6 12.9 1.0 OD1 A:ASN247 4.6 15.7 1.0 CA A:TYR78 4.7 10.7 1.0 CG A:ARG75 4.7 14.0 1.0 NE A:ARG75 4.8 17.6 1.0

Chlorine binding site 2 out of 2 in the Psim in Complex with Sinefungin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Psim in Complex with Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:28.3 occ:1.00 O A:HOH791 2.9 42.3 1.0 O A:HOH570 3.1 54.1 1.0 NH1 A:ARG55 3.2 17.1 1.0 N A:ASP12 3.3 18.1 1.0 NH2 A:ARG55 3.4 16.3 1.0 CZ A:ARG55 3.7 15.9 1.0 CB A:ASP12 4.0 20.3 1.0 CA A:ILE11 4.0 19.5 1.0 CA A:ASP12 4.1 18.5 1.0 O A:ASP12 4.1 17.2 1.0 C A:ILE11 4.1 19.1 1.0 CG2 A:ILE11 4.2 23.1 1.0 CD1 A:ILE11 4.3 27.4 1.0 C A:ASP12 4.5 16.8 1.0 O A:HOH509 4.5 32.6 1.0 CB A:ILE11 4.6 23.2 1.0 O A:PRO10 4.9 20.5 1.0

B.Rupp, J.Hudspeth, B.Rupp, S.Werten. N/A N/A.