Chlorine in PDB 3tiw: Crystal Structure of P97N in Complex with the C-Terminus of GP78

The structure of Crystal Structure of P97N in Complex with the C-Terminus of GP78, PDB code: 3tiw was solved by P.Haenzelmann, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.12 / 1.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	70.240, 70.240, 74.820, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 17.1

The binding sites of Chlorine atom in the Crystal Structure of P97N in Complex with the C-Terminus of GP78 (pdb code 3tiw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of P97N in Complex with the C-Terminus of GP78, PDB code: 3tiw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of P97N in Complex with the C-Terminus of GP78


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 P97N in Complex with the C-Terminus of GP78 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl188 b:25.4 occ:1.00 O A:HOH318 3.0 31.4 1.0 NE C:ARG627 3.1 33.4 1.0 NH1 C:ARG626 3.1 23.3 1.0 NH2 A:ARG53 3.4 27.7 1.0 CG A:ARG53 3.4 30.4 1.0 CD A:ARG53 3.5 31.1 1.0 NH2 C:ARG626 3.6 28.3 1.0 CZ C:ARG626 3.8 26.5 1.0 CD C:ARG627 3.9 27.1 1.0 NH2 C:ARG627 3.9 32.2 1.0 CZ C:ARG627 4.0 30.8 1.0 CG C:ARG627 4.1 27.2 1.0 CZ A:ARG53 4.4 31.7 1.0 NE A:ARG53 4.4 28.8 1.0 CB A:ARG53 4.8 29.8 1.0 O A:HOH193 4.9 22.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of P97N in Complex with the C-Terminus of GP78


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 P97N in Complex with the C-Terminus of GP78 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:27.7 occ:1.00 O C:HOH296 3.0 46.4 1.0 O C:HOH100 3.1 41.6 1.0 N C:LEU624 3.3 20.2 1.0 NH1 C:ARG627 3.4 35.2 1.0 CA C:THR623 3.7 24.6 1.0 CB C:THR623 3.8 23.9 1.0 CD C:ARG627 3.8 27.1 1.0 C C:THR623 4.0 18.9 1.0 CB C:LEU624 4.1 16.0 1.0 CG2 C:THR623 4.1 27.5 1.0 CA C:LEU624 4.3 19.1 1.0 CZ C:ARG627 4.4 30.8 1.0 CG C:ARG627 4.4 27.2 1.0 CB C:ARG627 4.5 22.9 1.0 NE C:ARG627 4.6 33.4 1.0 O C:LEU624 4.7 17.4 1.0 O C:VAL622 4.7 30.9 1.0 O C:HOH263 4.8 35.5 1.0 O C:HOH224 4.9 28.5 1.0 N C:THR623 5.0 24.3 1.0 C C:LEU624 5.0 20.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of P97N in Complex with the C-Terminus of GP78


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 P97N in Complex with the C-Terminus of GP78 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl188 b:48.3 occ:1.00 O D:HOH254 3.2 56.5 1.0 NH2 B:ARG53 3.4 31.6 1.0 NH1 D:ARG626 3.5 31.9 1.0 NE D:ARG627 3.6 37.8 1.0 CD B:ARG53 3.7 38.8 1.0 CG B:ARG53 3.8 34.3 1.0 NH2 D:ARG626 3.8 33.0 1.0 NH2 D:ARG627 4.0 39.9 1.0 O B:HOH379 4.1 73.3 1.0 CZ D:ARG626 4.2 30.9 1.0 CZ D:ARG627 4.2 34.4 1.0 CZ B:ARG53 4.4 34.7 1.0 CD D:ARG627 4.5 32.6 1.0 NE B:ARG53 4.5 34.7 1.0 CG D:ARG627 4.6 29.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of P97N in Complex with the C-Terminus of GP78


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 P97N in Complex with the C-Terminus of GP78 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl4 b:52.4 occ:1.00 O D:HOH356 2.9 52.3 1.0 N D:LEU624 3.3 24.4 1.0 CD D:ARG627 3.4 32.6 1.0 NH1 D:ARG627 3.4 37.4 1.0 O D:HOH335 3.8 57.2 1.0 CB D:LEU624 3.9 24.0 1.0 CA D:THR623 3.9 25.6 1.0 O D:VAL622 4.0 33.4 1.0 C D:THR623 4.1 24.4 1.0 NE D:ARG627 4.2 37.8 1.0 CZ D:ARG627 4.2 34.4 1.0 CA D:LEU624 4.2 24.0 1.0 CG D:ARG627 4.2 29.4 1.0 CG2 D:THR623 4.2 30.4 1.0 CB D:ARG627 4.4 24.9 1.0 CB D:THR623 4.6 24.1 1.0 O D:LEU624 4.7 25.5 1.0 C D:VAL622 4.9 35.6 1.0 N D:THR623 4.9 26.1 1.0 C D:LEU624 5.0 25.4 1.0

P.Hanzelmann, H.Schindelin. The Structural and Functional Basis of the P97/Valosin-Containing Protein (Vcp)-Interacting Motif (Vim): Mutually Exclusive Binding of Cofactors to the N-Terminal Domain of P97. J.Biol.Chem. V. 286 38679 2011.
ISSN: ISSN 0021-9258
PubMed: 21914798
DOI: 10.1074/JBC.M111.274506