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Bromine in PDB 8c7x: Crystal Structure of Braf in Complex with A Hybrid Compound 6

Enzymatic activity of Crystal Structure of Braf in Complex with A Hybrid Compound 6

All present enzymatic activity of Crystal Structure of Braf in Complex with A Hybrid Compound 6:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Braf in Complex with A Hybrid Compound 6, PDB code: 8c7x was solved by A.Chaikuad, P.Bonnet, 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) 74.37 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.129, 97.56, 114.9, 90, 90, 90
R / Rfree (%) 15.3 / 17.1

Other elements in 8c7x:

The structure of Crystal Structure of Braf in Complex with A Hybrid Compound 6 also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Braf in Complex with A Hybrid Compound 6 (pdb code 8c7x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Braf in Complex with A Hybrid Compound 6, PDB code: 8c7x:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 8c7x

Go back to Bromine Binding Sites List in 8c7x
Bromine binding site 1 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Braf in Complex with A Hybrid Compound 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br816

b:12.2
occ:0.90
O A:HOH928 3.5 20.5 1.0
NH2 A:ARG662 3.5 12.1 1.0
CD A:ARG662 3.7 11.2 1.0
CG A:ARG662 3.8 11.0 1.0
CZ A:ARG662 4.5 12.3 1.0
O A:SER614 4.6 20.4 1.0
O A:HOH1148 4.6 21.4 1.0
O A:HOH948 4.6 15.2 1.0
NE A:ARG662 4.6 11.5 1.0
CG2 A:ILE617 4.6 9.6 0.5
CD2 A:LEU618 4.8 9.3 1.0
CG A:LEU618 4.9 8.9 1.0
CD1 A:LEU618 4.9 9.2 1.0

Bromine binding site 2 out of 3 in 8c7x

Go back to Bromine Binding Sites List in 8c7x
Bromine binding site 2 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Braf in Complex with A Hybrid Compound 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br817

b:13.5
occ:0.80
O A:HOH1112 3.3 19.1 1.0
N A:ARG662 3.3 11.4 1.0
O A:HOH953 3.7 11.1 1.0
CZ A:ARG662 3.7 12.3 1.0
CA A:ASN661 3.8 12.8 1.0
NH1 A:ARG662 3.9 13.1 1.0
NH2 A:ARG662 3.9 12.1 1.0
CB A:ASN661 4.0 14.2 1.0
CB A:ARG662 4.0 11.1 1.0
CG A:ARG662 4.1 11.0 1.0
C A:ASN661 4.1 11.8 1.0
NE A:ARG662 4.1 11.5 1.0
CA A:ARG662 4.3 11.2 1.0
CD A:ARG662 4.7 11.2 1.0
O A:ASN660 4.8 13.9 1.0
O A:HOH974 4.8 41.6 1.0

Bromine binding site 3 out of 3 in 8c7x

Go back to Bromine Binding Sites List in 8c7x
Bromine binding site 3 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Braf in Complex with A Hybrid Compound 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br818

b:18.1
occ:0.65
NE B:ARG509 3.4 8.3 1.0
NE A:ARG509 3.4 8.5 1.0
CZ2 B:TRP450 3.5 13.6 1.0
CZ2 A:TRP450 3.5 13.9 1.0
NH2 A:ARG509 3.6 8.7 1.0
NH2 B:ARG509 3.6 8.6 1.0
NE1 A:TRP450 3.6 16.1 1.0
O B:HOH1048 3.6 42.2 1.0
NE1 B:TRP450 3.6 15.3 1.0
CE2 A:TRP450 3.8 14.0 1.0
CE2 B:TRP450 3.9 14.1 1.0
CZ B:ARG509 3.9 8.4 1.0
CZ A:ARG509 3.9 8.5 1.0
O B:ARG506 4.1 12.8 1.0
O A:ARG506 4.2 12.1 1.0
CD B:ARG509 4.4 8.3 1.0
OD2 B:ASP448 4.4 55.6 1.0
CD A:ARG509 4.5 8.3 1.0
CH2 B:TRP450 4.6 13.2 1.0
CH2 A:TRP450 4.6 13.2 1.0
CD1 A:TRP450 4.8 15.4 1.0
CD1 B:TRP450 4.8 15.4 1.0
CG B:ARG509 4.9 8.2 1.0
CG A:ARG509 4.9 8.1 1.0
OD1 B:ASP448 5.0 62.3 1.0

Reference:

A.Chaikuad, P.Bonnet, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Braf in Complex with A Hybrid Compound 6 To Be Published.
Page generated: Thu Jul 11 04:56:53 2024

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