Chlorine in PDB 4q9v: Crystal Structure of TIPE3

The structure of Crystal Structure of TIPE3, PDB code: 4q9v was solved by J.Wu, X.Zhang, Y.H.Chen, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.74 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.729, 87.296, 242.309, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26.2

The binding sites of Chlorine atom in the Crystal Structure of TIPE3 (pdb code 4q9v). 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 TIPE3, PDB code: 4q9v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of TIPE3


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 TIPE3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:98.4 occ:1.00 N A:LEU268 3.4 68.9 1.0 OG A:SER267 4.0 81.9 1.0 CA A:SER267 4.0 68.2 1.0 CB A:LEU268 4.1 82.3 1.0 CD1 A:LEU268 4.2 93.4 1.0 C A:SER267 4.2 63.8 1.0 CA A:LEU268 4.3 77.0 1.0 N A:ASP269 4.5 68.3 1.0 CB A:SER267 4.6 70.8 1.0 CG A:LEU268 4.7 90.3 1.0 C A:LEU268 4.9 71.4 1.0 OD2 A:ASP269 5.0 0.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of TIPE3


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 TIPE3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:94.2 occ:1.00 OG A:SER263 4.5 51.4 1.0 CD A:ARG219 4.6 65.6 1.0 CE2 A:PHE217 4.6 53.7 1.0 CD2 A:PHE217 4.9 49.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of TIPE3


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 TIPE3 within 5.0Å range:

Chlorine binding site 4 out of 5 in the Crystal Structure of TIPE3


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 TIPE3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:83.4 occ:1.00 N A:GLN187 3.7 44.6 1.0 CA A:SER186 4.0 39.9 1.0 CB A:SER186 4.1 37.5 1.0 O A:HOH431 4.3 56.0 1.0 C A:SER186 4.3 39.5 1.0 CB A:GLN187 4.4 50.2 1.0 CA A:GLN187 4.7 48.2 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of TIPE3


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 TIPE3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:95.9 occ:1.00 OG1 B:THR242 3.1 90.5 1.0 CB B:ARG244 3.4 0.7 1.0 N B:ARG244 3.9 0.1 1.0 CD B:ARG244 4.0 0.5 1.0 CA B:ARG244 4.1 0.6 1.0 CG B:ARG244 4.2 1.0 1.0 NE B:ARG248 4.2 0.0 1.0 NH2 B:ARG248 4.3 0.8 1.0 CB B:THR242 4.4 83.5 1.0 N B:THR245 4.6 94.9 1.0 C B:ARG244 4.7 0.6 1.0 CG2 B:THR245 4.7 53.9 1.0 CZ B:ARG248 4.7 0.5 1.0

S.A.Fayngerts, J.Wu, C.L.Oxley, X.Liu, A.Vourekas, T.Cathopoulis, Z.Wang, J.Cui, S.Liu, H.Sun, M.A.Lemmon, L.Zhang, Y.Shi, Y.H.Chen. TIPE3 Is the Transfer Protein of Lipid Second Messengers That Promote Cancer. Cancer Cell V. 26 465 2014.
ISSN: ISSN 1535-6108
PubMed: 25242044
DOI: 10.1016/J.CCR.2014.07.025