Chlorine in PDB 3mb4: Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp

The structure of Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp, PDB code: 3mb4 was solved by P.Filippakopoulos, S.Picaud, T.Keates, E.Ugochukwu, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.01 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.957, 52.221, 134.964, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp (pdb code 3mb4). 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 the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp, PDB code: 3mb4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp


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 Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl735 b:57.3 occ:1.00 OE1 A:GLU726 3.4 56.0 1.0 CG2 A:VAL723 4.0 30.2 1.0 CD A:GLU726 4.1 49.5 1.0 OE2 A:GLU726 4.1 49.3 1.0 O A:HOH181 4.3 43.0 1.0 OH A:TYR640 4.3 33.0 1.0 CG A:LYS722 4.5 51.1 1.0 O A:HOH223 4.6 48.3 1.0 O A:HOH179 4.6 40.0 1.0 CE1 A:TYR640 4.6 32.1 1.0 CD A:LYS722 4.7 57.5 1.0 CZ A:TYR640 4.7 29.8 1.0 CB A:LYS722 4.7 35.7 1.0 N A:VAL723 4.7 30.1 1.0 CA A:VAL723 4.9 27.0 1.0 O A:VAL719 5.0 25.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp


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 Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl735 b:49.0 occ:1.00 OG A:SER657 3.6 67.1 1.0 N B:LYS643 3.6 39.4 1.0 CB B:ASP642 3.7 37.7 1.0 CB B:LYS643 3.8 47.4 1.0 OE2 A:GLU660 3.8 58.2 1.0 CD A:GLU660 3.9 44.6 1.0 CG B:LYS643 4.0 52.8 1.0 CG B:ASP642 4.0 38.7 1.0 OD2 B:ASP642 4.1 37.1 1.0 CB A:SER657 4.2 55.9 1.0 CG A:GLU660 4.2 54.1 1.0 CA B:LYS643 4.2 44.5 1.0 CD B:LYS643 4.3 60.5 1.0 OE1 A:GLU660 4.4 45.6 1.0 C B:ASP642 4.5 38.5 1.0 CA B:ASP642 4.5 31.8 1.0 N B:ARG644 4.7 37.3 1.0 OD1 B:ASP642 4.7 36.7 1.0 CG B:ARG644 4.7 59.9 1.0 C B:LYS643 4.9 41.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp


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 Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:61.9 occ:1.00 OE2 B:GLU726 3.4 64.7 1.0 CG B:LYS722 3.9 49.2 1.0 CG2 B:VAL723 3.9 31.9 1.0 OH B:TYR640 4.0 44.7 1.0 CD B:GLU726 4.2 53.5 1.0 CE1 B:TYR640 4.2 42.2 1.0 OE1 B:GLU726 4.3 71.3 1.0 CZ B:TYR640 4.4 42.6 1.0 N B:VAL723 4.8 29.8 1.0 CA B:VAL723 4.9 31.6 1.0 CG1 B:VAL719 4.9 30.6 1.0 O B:VAL719 4.9 27.4 1.0 CB B:VAL723 5.0 27.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp


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 the Fifth Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) with Nmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl736 b:57.6 occ:1.00 O1 B:EDO4 3.5 39.5 1.0 OE1 B:GLU675 3.5 34.6 1.0 OH B:TYR634 3.6 35.9 1.0 N B:GLU675 3.8 22.9 1.0 CA B:GLU675 3.8 22.3 1.0 O B:LEU653 3.9 23.7 1.0 CB B:GLU675 4.1 23.0 1.0 C B:MET674 4.2 22.0 1.0 O B:MET674 4.4 23.1 1.0 CB B:LEU653 4.4 24.8 1.0 C1 B:EDO4 4.5 50.1 1.0 CD B:ARG678 4.5 32.0 1.0 C B:LEU653 4.5 26.7 1.0 CD2 B:LEU653 4.5 24.5 1.0 O B:HOH184 4.6 34.7 1.0 CA B:LEU653 4.6 23.7 1.0 CD B:GLU675 4.6 37.2 1.0 CB B:MET674 4.7 21.8 1.0 NE B:ARG678 4.8 32.8 1.0 O A:HOH183 4.9 43.2 1.0 CB B:ARG678 4.9 25.3 1.0 CG B:GLU675 4.9 26.7 1.0 CZ B:TYR634 5.0 27.9 1.0

P.Filippakopoulos, S.Picaud, M.Mangos, T.Keates, J.P.Lambert, D.Barsyte-Lovejoy, I.Felletar, R.Volkmer, S.Muller, T.Pawson, A.C.Gingras, C.H.Arrowsmith, S.Knapp. Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family. Cell(Cambridge,Mass.) V. 149 214 2012.
ISSN: ISSN 0092-8674
PubMed: 22464331
DOI: 10.1016/J.CELL.2012.02.013