Chlorine in PDB 6jjw: Crystal Structure of Kibra and PTPN14 Complex

The structure of Crystal Structure of Kibra and PTPN14 Complex, PDB code: 6jjw was solved by Z.Lin, Z.Yang, Z.Ji, M.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.94 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	107.630, 107.630, 107.832, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 24.2

The structure of Crystal Structure of Kibra and PTPN14 Complex also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Kibra and PTPN14 Complex (pdb code 6jjw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Kibra and PTPN14 Complex, PDB code: 6jjw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


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 Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:55.9 occ:1.00 N U:TYR445 3.4 33.5 1.0 N A:THR32 3.5 28.9 1.0 OG1 A:THR32 3.5 33.1 1.0 OG1 A:THR31 3.8 50.7 1.0 CA A:THR31 3.8 34.2 1.0 CB U:TYR445 3.8 22.8 1.0 O U:PRO443 4.0 28.9 1.0 C A:THR31 4.0 23.8 1.0 CA U:ASP444 4.1 23.4 1.0 CA U:TYR445 4.1 27.6 1.0 C U:ASP444 4.2 23.3 1.0 CB A:THR32 4.3 32.6 1.0 OD1 U:ASP444 4.3 30.9 1.0 CG2 A:THR32 4.3 30.5 1.0 CB A:THR31 4.4 29.9 1.0 CA A:THR32 4.4 33.2 1.0 O A:ARG30 4.5 23.1 1.0 O U:HOH601 4.6 23.7 1.0 OG1 U:THR442 4.7 30.6 1.0 O A:THR32 4.8 28.9 1.0 C U:PRO443 4.8 31.9 1.0 N A:THR31 4.9 24.8 1.0 N U:ASP444 4.9 23.5 1.0 CG U:ASP444 5.0 44.3 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


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 Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:59.5 occ:1.00 NH1 A:ARG28 3.1 57.3 1.0 OD1 A:ASN29 3.9 46.6 1.0 CD A:ARG28 4.1 34.7 1.0 CZ A:ARG28 4.1 41.6 1.0 CB A:ARG28 4.2 37.6 1.0 NE A:ARG28 4.5 38.2 1.0 O A:HOH320 4.5 40.3 1.0 CG A:ASN29 4.8 44.8 1.0 CG A:ARG28 4.8 34.6 1.0 ND2 A:ASN29 4.9 52.8 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


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 Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:63.7 occ:1.00 N A:TRP34 3.3 21.9 1.0 CB A:TRP34 3.8 28.1 1.0 CD1 A:TRP34 3.9 23.9 1.0 CA A:TRP34 4.1 31.4 1.0 OG A:SER33 4.1 36.7 1.0 CA A:SER33 4.1 28.6 1.0 OH U:TYR439 4.1 41.5 1.0 N A:ILE35 4.2 27.2 1.0 ND1 A:HIS74 4.2 26.6 1.0 CG A:TRP34 4.2 30.5 1.0 C A:SER33 4.2 24.8 1.0 CB A:HIS74 4.3 29.5 1.0 CG2 U:THR442 4.3 36.2 1.0 CB A:SER33 4.3 30.8 1.0 CG A:HIS74 4.4 28.6 1.0 CG1 A:ILE35 4.5 39.9 1.0 CD1 A:ILE35 4.5 43.4 1.0 C A:TRP34 4.6 29.7 1.0 CE1 A:HIS74 4.9 24.2 1.0 CB A:ILE35 5.0 34.6 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


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 Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:82.0 occ:1.00 NE1 A:TRP88 3.4 83.6 1.0 O2 A:FMT206 3.5 68.2 1.0 CB A:THR46 3.6 59.0 1.0 N A:PHE47 3.7 48.9 1.0 CD1 A:TRP88 3.9 82.7 1.0 OG1 A:THR46 4.0 63.5 1.0 CB A:PHE47 4.1 55.1 1.0 N A:ALA48 4.1 75.0 1.0 CA A:PHE47 4.3 53.5 1.0 CG2 A:THR46 4.3 50.7 1.0 CE2 A:TRP88 4.4 80.2 1.0 CD2 A:PHE47 4.4 43.5 1.0 CA A:THR46 4.5 50.3 1.0 C A:THR46 4.5 48.9 1.0 C A:PHE47 4.7 60.6 1.0 C A:FMT206 4.7 70.9 1.0 CG A:PHE47 4.7 54.1 1.0 CB A:ALA48 4.9 73.0 1.0 CZ2 A:TRP88 4.9 81.9 1.0 CG A:TRP88 5.0 75.7 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


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 Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:69.8 occ:1.00 NE1 A:TRP12 3.2 30.4 1.0 CD1 A:TRP12 4.1 27.7 1.0 CE2 A:TRP12 4.1 33.5 1.0 CG A:PRO9 4.4 41.0 1.0 CZ2 A:TRP12 4.4 25.1 1.0 CB A:PRO37 4.5 34.4 1.0 CB A:PRO9 4.5 42.0 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl501 b:71.8 occ:1.00 NE U:ARG450 3.6 30.5 1.0 CL U:CL502 3.7 80.5 1.0 O U:HOH604 3.7 37.3 1.0 NH2 U:ARG450 4.0 33.4 1.0 CZ U:ARG450 4.1 41.4 1.0 CD U:ARG450 4.4 31.7 1.0 O U:HOH605 4.6 40.3 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl502 b:80.5 occ:1.00 NE U:ARG450 3.2 30.5 1.0 CL U:CL501 3.7 71.8 1.0 CB U:ARG450 3.7 29.5 1.0 O U:HOH604 4.0 37.3 1.0 CD U:ARG450 4.0 31.7 1.0 NH2 U:ARG450 4.0 33.4 1.0 CZ U:ARG450 4.1 41.4 1.0 CG2 U:THR447 4.3 27.4 1.0 O U:THR447 4.3 31.1 1.0 CA U:THR447 4.4 27.9 1.0 CG U:GLN451 4.5 60.1 1.0 CG U:ARG450 4.5 28.9 1.0 NE2 U:GLN451 4.5 72.9 1.0 CB U:THR447 4.8 33.8 1.0 OG1 U:THR447 4.8 32.4 1.0 C U:THR447 4.9 34.5 1.0 C U:ARG450 4.9 39.4 1.0 CA U:ARG450 4.9 38.1 1.0 CD U:GLN451 4.9 71.4 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of Kibra and PTPN14 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Kibra and PTPN14 Complex within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl503 b:81.1 occ:1.00 OG U:SER438 3.8 48.6 1.0 N U:SER438 3.8 37.2 1.0 CA U:PRO437 3.9 38.9 1.0 CB U:PRO437 4.3 31.3 1.0 C U:PRO437 4.4 44.9 1.0 CB U:SER438 4.8 42.6 1.0 CA U:SER438 4.9 44.6 1.0

Z.Lin, Z.Yang, R.Xie, Z.Ji, K.Guan, M.Zhang. Decoding Ww Domain Tandem-Mediated Target Recognitions in Tissue Growth and Cell Polarity. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31486770
DOI: 10.7554/ELIFE.49439