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: Tue Apr 4 17:45:12 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy