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Chlorine in PDB 4nr7: Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand

Enzymatic activity of Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand

All present enzymatic activity of Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand, PDB code: 4nr7 was solved by P.Filippakopoulos, S.Picaud, I.Felletar, D.Hay, O.Fedorov, S.Martin, T.Krojer, R.Nowak, F.Von Delft, P.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.38 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 35.344, 49.827, 80.554, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 14.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand (pdb code 4nr7). 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 the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand, PDB code: 4nr7:

Chlorine binding site 1 out of 1 in 4nr7

Go back to Chlorine Binding Sites List in 4nr7
Chlorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand


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 Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1204

b:16.3
occ:1.00
 CL A:2LO1204 0.0 16.3 1.0
C16 A:2LO1204 1.7 13.4 1.0
C15 A:2LO1204 2.6 15.9 1.0
C17 A:2LO1204 2.7 13.5 1.0
O A:2LO1204 2.8 19.8 1.0
CB A:ARG1173 3.5 9.2 1.0
CG A:PRO1110 3.6 13.0 1.0
CE2 A:PHE1177 3.6 11.1 1.0
CD2 A:PHE1177 3.8 9.9 1.0
CG2 A:VAL1174 3.8 10.8 1.0
C14 A:2LO1204 3.9 18.7 1.0
C12 A:2LO1204 4.0 14.6 1.0
CD A:ARG1173 4.1 10.1 1.0
NE A:ARG1173 4.1 9.8 1.0
N A:VAL1174 4.2 7.7 1.0
C18 A:2LO1204 4.2 22.6 1.0
C A:ARG1173 4.4 7.2 1.0
O A:HOH1502 4.4 12.0 1.0
CZ A:ARG1173 4.4 10.7 1.0
CG A:ARG1173 4.4 9.8 1.0
C13 A:2LO1204 4.4 16.8 1.0
CD A:PRO1110 4.6 11.0 1.0
CA A:VAL1174 4.6 7.3 1.0
CA A:ARG1173 4.6 8.5 1.0
CZ A:PHE1177 4.6 11.3 1.0
CB A:PRO1110 4.6 12.4 1.0
NH1 A:ARG1173 4.6 13.0 1.0
O A:HOH1427 4.7 39.8 1.0
C21 A:2LO1204 4.8 18.6 1.0
CB A:VAL1174 4.9 9.0 1.0
O A:ARG1173 4.9 8.3 1.0
O A:HOH1501 5.0 24.6 1.0
CG A:PHE1177 5.0 9.1 1.0
NH2 A:ARG1173 5.0 12.6 1.0

Reference:

P.Filippakopoulos, S.Picaud, I.Felletar, D.Hay, O.Fedorov, S.Martin, T.Krojer, R.Nowak, F.Von Delft, P.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp. Crystal Structure of the Bromodomain of Human Crebbp in Complex with An Isoxazolyl-Benzimidazole Ligand To Be Published.
Page generated: Thu Jul 25 22:58:35 2024

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