Chlorine in PDB 3v3b: Structure of the Stapled P53 Peptide Bound to MDM2

The structure of Structure of the Stapled P53 Peptide Bound to MDM2, PDB code: 3v3b was solved by S.Baek, P.S.Kutchukian, G.L.Verdine, R.Huber, T.A.Holak, L.Ki Won, G.M.Popowicz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.400, 42.410, 50.500, 90.00, 90.86, 90.00
R / Rfree (%)	16.6 / 21.6

The binding sites of Chlorine atom in the Structure of the Stapled P53 Peptide Bound to MDM2 (pdb code 3v3b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of the Stapled P53 Peptide Bound to MDM2, PDB code: 3v3b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.9 occ:1.00 N A:LEU33 3.2 14.1 1.0 N B:LEU33 3.3 11.8 1.0 O A:HOH305 3.4 13.7 1.0 O B:HOH306 3.5 17.3 1.0 CD A:PRO32 3.6 14.8 1.0 CD B:PRO32 3.6 11.9 1.0 N B:PRO32 3.7 12.2 1.0 CB B:LEU33 3.7 12.8 1.0 N A:PRO32 3.7 14.6 1.0 CB A:LEU33 3.8 13.8 1.0 CB B:LYS31 3.8 13.3 1.0 CB A:PRO32 3.9 14.8 1.0 CB B:PRO32 4.0 12.7 1.0 CA A:LEU33 4.1 13.9 1.0 CA A:PRO32 4.1 14.6 1.0 C A:PRO32 4.1 14.6 1.0 CA B:LEU33 4.1 12.1 1.0 CB A:LYS31 4.1 14.9 1.0 CG A:PRO32 4.1 15.2 1.0 CA B:PRO32 4.2 12.1 1.0 C B:LYS31 4.2 12.3 1.0 C B:PRO32 4.2 12.1 1.0 C A:LYS31 4.3 14.5 1.0 CG B:PRO32 4.3 12.6 1.0 CA B:LYS31 4.6 12.6 1.0 O B:LYS31 4.8 12.4 1.0 CA A:LYS31 4.8 14.9 1.0 CD B:LYS31 4.8 14.9 1.0 O A:LYS31 4.9 15.0 1.0 CG B:LYS31 4.9 13.9 1.0 ND2 B:ASN106 4.9 16.4 1.0

Chlorine binding site 2 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.2 occ:1.00 N A:THR26 3.3 24.0 1.0 CG A:LYS51 3.4 17.6 1.0 N A:MET50 3.5 16.3 1.0 N A:LYS51 3.5 15.8 1.0 CA A:GLU25 3.6 25.3 1.0 CB A:THR49 3.8 16.9 1.0 CB A:MET50 3.8 16.9 1.0 O A:THR26 3.9 22.3 1.0 OG1 A:THR26 3.9 27.5 1.0 CB A:GLU25 3.9 25.5 1.0 C A:GLU25 4.0 24.6 1.0 CA A:MET50 4.0 16.4 1.0 CB A:LYS51 4.2 15.9 1.0 C A:MET50 4.2 16.1 1.0 C A:THR49 4.3 16.4 1.0 O A:GLN24 4.4 26.8 1.0 CA A:THR26 4.4 23.7 1.0 OG1 A:THR49 4.4 17.0 1.0 CA A:THR49 4.4 16.9 1.0 CA A:LYS51 4.4 15.7 1.0 C A:THR26 4.5 22.4 1.0 CB A:THR26 4.6 23.9 1.0 CG2 A:THR49 4.7 17.8 1.0 N A:GLU25 4.8 25.6 1.0 CG2 A:THR26 4.8 22.9 1.0 CG A:MET50 4.9 18.5 1.0

Chlorine binding site 3 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:20.5 occ:1.00 N A:VAL109 3.2 19.9 1.0 O A:HOH313 3.2 18.6 1.0 CA A:VAL108 3.7 17.3 1.0 C A:VAL108 3.9 18.2 1.0 CB A:VAL109 4.0 21.4 1.0 CG2 A:VAL109 4.0 21.3 1.0 CA A:VAL109 4.1 21.6 1.0 CG1 A:VAL108 4.2 18.3 1.0 O A:LEU107 4.2 14.6 1.0 O A:HOH330 4.4 36.7 1.0 CB A:VAL108 4.5 17.3 1.0 N A:VAL108 4.8 16.4 1.0 O A:VAL109 4.8 23.6 1.0 C A:LEU107 4.9 15.5 1.0 CG2 A:VAL108 4.9 17.9 1.0 C A:VAL109 5.0 23.0 1.0

Chlorine binding site 4 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:21.9 occ:1.00 N A:LYS98 3.3 15.6 1.0 C A:GLU95 3.4 16.5 1.0 CA A:GLU95 3.4 16.3 1.0 N A:ARG97 3.4 16.2 1.0 CB A:GLU95 3.5 16.8 1.0 CB A:ARG97 3.5 16.4 1.0 O A:GLU95 3.6 16.2 1.0 N A:HIS96 3.8 16.5 1.0 CG A:LYS98 3.8 16.2 1.0 CA A:ARG97 3.8 16.3 1.0 CB A:LYS98 4.0 14.8 1.0 C A:ARG97 4.0 16.0 1.0 CD A:LYS98 4.0 15.7 1.0 CA A:LYS98 4.2 14.9 1.0 C A:HIS96 4.3 16.8 1.0 CG A:GLU95 4.3 17.5 1.0 CG A:ARG97 4.6 17.1 1.0 CA A:HIS96 4.6 17.1 1.0 N A:GLU95 4.8 16.0 1.0 OE2 A:GLU95 4.9 23.8 1.0

Chlorine binding site 5 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:27.6 occ:1.00 N A:LEU81 3.2 14.5 1.0 NZ A:LYS64 3.2 20.8 1.0 OD1 A:ASP80 3.6 17.6 1.0 CA A:ASP80 3.8 15.2 1.0 CG A:ASP80 3.8 16.4 1.0 CB A:LEU81 3.9 15.0 1.0 C A:ASP80 3.9 14.7 1.0 OD2 A:ASP80 4.0 15.1 1.0 OH A:TYR60 4.1 13.1 1.0 CA A:LEU81 4.1 14.6 1.0 CB A:ASP80 4.4 15.3 1.0 O A:ASN79 4.4 16.0 1.0 O A:HOH340 4.4 33.5 1.0 CE A:LYS64 4.6 21.8 1.0 N A:ASP80 4.9 15.4 1.0

Chlorine binding site 6 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:13.2 occ:1.00 OG B:SER92 3.0 11.1 1.0 O B:HOH303 3.3 8.5 1.0 CB B:SER92 3.7 11.5 1.0 CE1 B:HIS73 3.8 14.4 1.0 ND1 B:HIS73 3.9 14.5 1.0 CG B:LYS94 4.0 13.0 1.0 CB B:LYS94 4.0 12.7 1.0 NE2 B:HIS73 4.8 14.3 1.0 O B:HOH336 4.8 36.0 1.0 CG B:HIS73 5.0 13.0 1.0

Chlorine binding site 7 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:24.5 occ:1.00 O B:HOH308 2.9 14.8 1.0 N B:GLU69 3.4 13.1 1.0 CG B:GLU69 3.6 15.8 1.0 CB B:GLU69 3.7 14.4 1.0 O B:HOH339 3.9 15.0 1.0 OD1 B:ASP68 4.0 13.8 1.0 CA B:GLU69 4.1 13.8 1.0 C B:ASP68 4.4 12.1 1.0 CA B:ASP68 4.4 12.0 1.0 O B:HOH318 4.5 22.4 1.0 O B:TYR67 4.7 12.3 1.0 CG B:ASP68 4.8 12.1 1.0 O B:HOH316 4.9 21.1 1.0

Chlorine binding site 8 out of 8 in the Structure of the Stapled P53 Peptide Bound to MDM2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Stapled P53 Peptide Bound to MDM2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:33.9 occ:1.00 N B:LEU81 3.1 16.5 1.0 NZ B:LYS64 3.4 20.1 1.0 O B:HOH361 3.4 41.7 1.0 OD1 B:ASP80 3.5 16.7 1.0 CG B:ASP80 3.6 15.9 1.0 CB B:LEU81 3.7 17.4 1.0 OD2 B:ASP80 3.8 13.2 1.0 CA B:ASP80 3.8 16.6 1.0 C B:ASP80 3.9 16.5 1.0 OH B:TYR60 4.0 11.7 1.0 CA B:LEU81 4.0 17.0 1.0 CB B:ASP80 4.3 16.3 1.0 O B:HOH346 4.6 24.0 1.0 O B:HOH301 4.8 32.0 1.0 CE B:LYS64 4.8 19.0 1.0 O B:ASN79 4.9 18.9 1.0 CG B:LEU81 4.9 19.7 1.0

S.Baek, P.S.Kutchukian, G.L.Verdine, R.Huber, T.A.Holak, K.W.Lee, G.M.Popowicz. Structure of the Stapled P53 Peptide Bound to MDM2. J.Am.Chem.Soc. V. 134 103 2012.
ISSN: ISSN 0002-7863
PubMed: 22148351
DOI: 10.1021/JA2090367