Chlorine in PDB 5ee3: Complex Structure of OSYCHF1 with Amp-Pnp

The structure of Complex Structure of OSYCHF1 with Amp-Pnp, PDB code: 5ee3 was solved by X.Li, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.086, 112.390, 115.023, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.1

The structure of Complex Structure of OSYCHF1 with Amp-Pnp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Complex Structure of OSYCHF1 with Amp-Pnp (pdb code 5ee3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Complex Structure of OSYCHF1 with Amp-Pnp, PDB code: 5ee3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:72.4 occ:1.00 O2S A:EPE406 3.4 98.2 1.0 CE2 A:PHE337 3.6 59.6 1.0 N A:PHE384 4.1 62.3 1.0 CZ A:PHE337 4.2 59.9 1.0 CD2 A:PHE383 4.4 58.1 1.0 CE2 A:PHE383 4.5 57.7 1.0 CD2 A:PHE337 4.6 60.6 1.0 CD2 A:PHE384 4.6 60.6 1.0 CA A:PHE383 4.7 57.2 1.0 CB A:PHE384 4.7 63.2 1.0 O A:PHE384 4.7 62.9 1.0 CG A:PHE383 4.8 57.6 1.0 CD1 A:ILE333 4.8 62.3 1.0 S A:EPE406 4.8 0.3 1.0 CA A:PHE384 4.9 62.5 1.0 C A:PHE383 5.0 59.4 1.0 CZ A:PHE383 5.0 58.1 1.0

Chlorine binding site 2 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:87.4 occ:1.00 NE2 A:HIS115 3.3 0.2 1.0 CD2 A:HIS115 3.6 0.1 1.0 N A:ALA96 3.8 77.3 1.0 CA A:ALA96 3.9 78.5 1.0 CE1 A:HIS115 4.0 0.9 1.0 CG A:HIS115 4.4 0.0 1.0 O A:ALA96 4.5 77.8 1.0 ND1 A:HIS115 4.6 0.0 1.0 C A:ALA96 4.7 76.0 1.0 C A:ILE95 4.9 73.9 1.0

Chlorine binding site 3 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range:

Chlorine binding site 4 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:77.2 occ:1.00 CE2 B:PHE337 3.9 59.4 1.0 CL B:CL404 4.3 80.5 1.0 CZ B:PHE337 4.3 59.0 1.0 CD2 B:PHE383 4.4 60.0 1.0 N B:PHE384 4.6 55.5 1.0 CE2 B:PHE383 4.6 62.1 1.0 CD2 B:PHE337 4.9 59.4 1.0 CD1 B:ILE333 4.9 59.6 1.0

Chlorine binding site 5 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:80.5 occ:1.00 OE2 B:GLU314 3.5 58.6 1.0 O1 B:SO4406 4.1 1.0 1.0 OG1 B:THR309 4.1 53.0 1.0 CL B:CL403 4.3 77.2 1.0 CB B:THR309 4.5 53.4 1.0 CZ2 B:TRP318 4.6 51.4 1.0 CD B:GLU314 4.7 61.2 1.0 OD2 B:ASP313 4.9 72.5 1.0 CG2 B:THR309 4.9 52.8 1.0

Chlorine binding site 6 out of 6 in the Complex Structure of OSYCHF1 with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Complex Structure of OSYCHF1 with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:83.3 occ:1.00 CA B:GLY105 3.3 94.0 1.0 N B:GLU106 3.6 0.7 1.0 N B:GLY109 3.6 87.0 1.0 CA B:GLY109 3.6 88.7 1.0 C B:GLY105 3.8 95.8 1.0 C B:LEU108 3.9 86.3 1.0 N B:LEU108 4.0 92.6 1.0 N B:GLY107 4.0 0.1 1.0 O B:LEU108 4.3 86.5 1.0 C B:GLY107 4.4 96.7 1.0 CA B:LEU108 4.5 87.4 1.0 N B:GLY105 4.6 88.5 1.0 CA B:GLU106 4.7 0.2 1.0 CA B:GLY107 4.8 98.6 1.0 O B:GLY105 4.9 94.6 1.0 C B:GLU106 4.9 0.1 1.0 O B:GLY107 4.9 98.0 1.0 C B:GLY109 5.0 88.6 1.0

M.-Y.Cheung, X.Li, R.Miao, Y.-H.Fong, K.-P.Li, Y.-L.Yung, M.-H.Yu, K.-B.Wong, Z.Chen, H.-M.Lam. Atp Binding By the P-Loop Ntpase OSYCHF1 (An Unconventional G Protein) Contributes to Biotic But Not Abiotic Stress Responses Proc.Natl.Acad.Sci.Usa V. 113 2648 2016.
ISSN: ESSN 1091-6490
PubMed: 26912459
DOI: 10.1073/PNAS.1522966113