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Chlorine in PDB 4tu4: Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid

Enzymatic activity of Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid

All present enzymatic activity of Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid:
3.6.1.3;

Protein crystallography data

The structure of Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid, PDB code: 4tu4 was solved by G.Poncet-Montange, Y.Zhan, J.Bardenhagen, A.Petrocchi, E.Leo, X.Shi, G.Lee, P.Leonard, M.Geck Do, M.Cardozo, W.Palmer, J.Andersen, P.Jones, J.Ladbury, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.47 / 1.73
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 79.288, 79.288, 137.945, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid (pdb code 4tu4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid, PDB code: 4tu4:

Chlorine binding site 1 out of 1 in 4tu4

Go back to Chlorine Binding Sites List in 4tu4
Chlorine binding site 1 out of 1 in the Crystal Structure of ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid


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 ATAD2A Bromodomain Complexed with 3-(3,5- Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl)Amino]Benzoicacid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1205

b:77.1
occ:1.00
 O A:HOH1344 2.8 63.5 1.0
NH2 A:ARG1077 3.3 34.1 1.0
NH1 A:ARG1077 3.5 30.7 1.0
O A:HOH1430 3.8 51.2 1.0
CZ A:ARG1077 3.8 28.8 1.0
O A:HOH1345 4.2 62.9 1.0
O A:HOH1329 4.3 54.3 1.0
CD2 A:LEU1073 4.5 27.5 1.0
O A:HOH1356 4.8 57.4 1.0

Reference:

G.Poncet-Montange, Y.Zhan, J.P.Bardenhagen, A.Petrocchi, E.Leo, X.Shi, G.R.Lee Iv, P.G.Leonard, M.K.Geck Do, M.G.Cardozo, J.N.Andersen, W.S.Palmer, P.Jones, J.E.Ladbury. Observed Bromodomain Flexibility Reveals Histone Peptide- and Small Molecule Ligand-Compatible Forms of ATAD2A. Biochem.J. 2014.
ISSN: ESSN 1470-8728
PubMed: 25486442
DOI: 10.1042/BJ20140933
Page generated: Sat Dec 12 11:13:55 2020

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