Chlorine in PDB 5nkp: Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide

All present enzymatic activity of Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide:
2.7.11.1;

The structure of Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide, PDB code: 5nkp was solved by Z.Chen, F.J.Sorrell, D.M.Pinkas, E.Williams, S.Mathea, S.Goubin, F.Vondelft, C.H.Arrowsmith, A.M.Edwards, N.Burgess-Brown, C.Bountra, A.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.03 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	84.660, 169.720, 123.860, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide (pdb code 5nkp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide, PDB code: 5nkp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide


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 the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:33.5 occ:1.00 OG A:SER385 2.9 33.0 1.0 NH1 A:ARG339 3.1 34.2 1.0 CB A:SER385 3.4 32.8 1.0 NE A:ARG360 3.6 34.0 1.0 NH2 A:ARG360 3.6 34.6 1.0 CD A:ARG339 3.6 33.7 1.0 CG2 A:THR386 3.7 33.3 1.0 CG2 D:THR541 3.9 34.2 1.0 CD2 A:PHE402 3.9 34.1 1.0 CA D:THR541 4.0 34.5 1.0 CZ A:ARG360 4.0 34.5 1.0 CB A:PHE402 4.1 33.4 1.0 CZ A:ARG339 4.1 34.3 1.0 CB D:THR541 4.2 34.3 1.0 C A:SER385 4.3 32.6 1.0 NE A:ARG339 4.3 34.1 1.0 OG1 A:THR386 4.4 33.1 1.0 CA A:SER385 4.5 32.5 1.0 CG A:PHE402 4.5 33.9 1.0 O A:SER385 4.5 32.6 1.0 N A:THR386 4.6 32.6 1.0 CB A:THR386 4.6 33.1 1.0 CG A:ARG360 4.6 33.4 1.0 CD A:ARG360 4.7 33.9 1.0 O D:GLU540 4.7 35.0 1.0 N D:GLU542 4.8 34.6 1.0 N D:THR541 4.8 34.8 1.0 CG A:ARG339 4.9 33.6 1.0 C D:THR541 4.9 34.8 1.0 CE2 A:PHE402 4.9 34.7 1.0 CB A:ARG339 5.0 33.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide


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 the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:36.7 occ:1.00 O A:SER548 3.8 38.3 1.0 OD1 A:ASN550 3.8 37.0 1.0 OD1 A:ASP545 3.9 36.5 1.0 CG A:ASP545 4.0 36.4 1.0 C A:SER548 4.1 38.3 1.0 CB A:ASP545 4.2 37.0 1.0 O A:GLY547 4.3 37.3 1.0 NH2 A:ARG528 4.3 35.9 1.0 C A:GLY547 4.3 37.4 1.0 N A:SER548 4.4 37.8 1.0 OD2 A:ASP545 4.5 36.0 1.0 CA A:SER548 4.5 38.2 1.0 N A:CYS549 4.8 38.5 1.0 CG A:ASN550 4.8 37.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide


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 the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:31.3 occ:1.00 OG B:SER385 2.6 31.7 1.0 NH1 B:ARG339 3.1 31.7 1.0 CB B:SER385 3.2 31.7 1.0 NE B:ARG360 3.5 31.9 1.0 CD B:ARG339 3.7 31.7 1.0 CG2 B:THR386 3.7 30.9 1.0 NH2 B:ARG360 3.7 31.8 1.0 CD2 B:PHE402 3.9 30.9 1.0 CZ B:ARG360 4.0 32.0 1.0 CG2 C:THR541 4.0 31.0 1.0 CZ B:ARG339 4.2 31.8 1.0 CA C:THR541 4.3 31.0 1.0 C B:SER385 4.3 31.3 1.0 CG B:ARG360 4.3 32.2 1.0 NE B:ARG339 4.4 31.8 1.0 CA B:SER385 4.4 31.7 1.0 CB C:THR541 4.5 30.9 1.0 CD B:ARG360 4.5 32.3 1.0 CB B:PHE402 4.5 30.6 1.0 OG1 B:THR386 4.6 30.7 1.0 N B:THR386 4.6 31.4 1.0 O B:SER385 4.6 31.1 1.0 CE2 B:PHE402 4.7 31.0 1.0 CG B:PHE402 4.7 30.6 1.0 CB B:THR386 4.7 30.9 1.0 CD1 B:PHE355 4.8 32.9 1.0 CG B:ARG339 4.9 31.9 1.0 O C:GLU540 4.9 31.5 1.0 CB B:ARG339 4.9 32.0 1.0 N C:THR541 4.9 31.3 1.0 CG B:PHE355 5.0 32.9 1.0 O B:PHE402 5.0 31.3 1.0 CB B:PHE355 5.0 32.9 1.0

Z.Chen, F.J.Sorrell, D.M.Pinkas, E.Williams, S.Mathea, S.Goubin, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, N.Burgess-Brown, C.Bountra, A.Bullock. Crystal Structure of the Human KLHL3 Kelch Domain in Complex with A WNK3 Peptide To Be Published.