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Chlorine in PDB 1uwh: The Complex of Wild Type B-Raf and BAY439006.

Enzymatic activity of The Complex of Wild Type B-Raf and BAY439006.

All present enzymatic activity of The Complex of Wild Type B-Raf and BAY439006.:
2.7.1.37; 2.7.11.1;

Protein crystallography data

The structure of The Complex of Wild Type B-Raf and BAY439006., PDB code: 1uwh was solved by D.Barford, S.M.Roe, P.T.C.Wan, Cancer Genome Project, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.91 / 2.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.280, 110.280, 143.010, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25.7

Other elements in 1uwh:

The structure of The Complex of Wild Type B-Raf and BAY439006. also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Complex of Wild Type B-Raf and BAY439006. (pdb code 1uwh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Complex of Wild Type B-Raf and BAY439006., PDB code: 1uwh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1uwh

Go back to Chlorine Binding Sites List in 1uwh
Chlorine binding site 1 out of 3 in the The Complex of Wild Type B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Complex of Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1723

b:71.6
occ:1.00
CL11 A:BAX1723 0.0 71.6 1.0
C5 A:BAX1723 1.8 60.3 1.0
C4 A:BAX1723 2.7 57.6 1.0
C6 A:BAX1723 2.9 58.8 1.0
F9 A:BAX1723 3.1 60.1 1.0
F8 A:BAX1723 3.2 60.0 1.0
C7 A:BAX1723 3.2 58.9 1.0
CG1 A:VAL503 3.7 54.0 1.0
CG2 A:ILE571 3.8 46.6 1.0
C3 A:BAX1723 4.0 54.5 1.0
C1 A:BAX1723 4.1 55.0 1.0
CA A:HIS573 4.4 48.8 1.0
O A:ILE572 4.5 51.9 1.0
C2 A:BAX1723 4.5 53.1 1.0
F10 A:BAX1723 4.6 61.3 1.0
CG A:HIS573 4.7 50.7 1.0
CB A:VAL503 4.8 53.4 1.0
CD2 A:HIS573 4.8 50.4 1.0
O A:HIS573 4.8 49.1 1.0
CD1 A:LEU566 4.9 47.6 1.0
C A:ILE572 5.0 50.8 1.0

Chlorine binding site 2 out of 3 in 1uwh

Go back to Chlorine Binding Sites List in 1uwh
Chlorine binding site 2 out of 3 in the The Complex of Wild Type B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Complex of Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1723

b:73.2
occ:1.00
CL11 B:BAX1723 0.0 73.2 1.0
C5 B:BAX1723 1.8 62.3 1.0
C4 B:BAX1723 2.7 60.9 1.0
C6 B:BAX1723 2.9 61.7 1.0
F9 B:BAX1723 3.1 64.8 1.0
F8 B:BAX1723 3.2 63.1 1.0
C7 B:BAX1723 3.2 62.1 1.0
CG1 B:VAL503 4.0 56.2 1.0
CG2 B:ILE571 4.0 49.4 1.0
C3 B:BAX1723 4.0 57.7 1.0
C1 B:BAX1723 4.1 58.4 1.0
CA B:HIS573 4.2 48.9 1.0
O B:ILE572 4.4 48.2 1.0
CG B:HIS573 4.5 49.0 1.0
C2 B:BAX1723 4.5 55.4 1.0
F10 B:BAX1723 4.6 63.0 1.0
CD2 B:HIS573 4.6 49.2 1.0
O B:HIS573 4.6 50.4 1.0
ND1 B:HIS573 4.8 49.5 1.0
CB B:HIS573 4.9 48.8 1.0
NE2 B:HIS573 4.9 49.5 1.0
N B:HIS573 4.9 48.5 1.0
CD1 B:LEU566 4.9 46.7 1.0
C B:ILE572 4.9 48.6 1.0
C B:HIS573 5.0 50.0 1.0
CE1 B:HIS573 5.0 49.7 1.0

Chlorine binding site 3 out of 3 in 1uwh

Go back to Chlorine Binding Sites List in 1uwh
Chlorine binding site 3 out of 3 in the The Complex of Wild Type B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Complex of Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1724

b:91.4
occ:1.00
CZ2 B:TRP449 3.1 69.0 1.0
O A:HOH2001 3.1 54.4 1.0
CZ2 A:TRP449 3.2 64.6 1.0
O B:HOH2001 3.4 58.5 1.0
NE1 A:TRP449 3.4 68.0 1.0
NE1 B:TRP449 3.5 71.4 1.0
NE A:ARG508 3.6 42.6 1.0
CE2 B:TRP449 3.6 69.5 1.0
NH2 A:ARG508 3.6 44.1 1.0
CE2 A:TRP449 3.6 65.7 1.0
NE B:ARG508 3.7 43.5 1.0
NH2 B:ARG508 3.8 43.2 1.0
O B:ARG505 3.9 55.1 1.0
CZ A:ARG508 4.1 43.7 1.0
CH2 B:TRP449 4.2 68.3 1.0
O A:ARG505 4.2 55.0 1.0
CZ B:ARG508 4.2 42.7 1.0
CH2 A:TRP449 4.4 63.5 1.0
CD A:ARG508 4.7 41.9 1.0
CD B:ARG508 4.7 42.7 1.0
CD1 A:TRP449 4.7 67.4 1.0
CD1 B:TRP449 4.8 71.1 1.0
CD2 B:TRP449 4.9 69.8 1.0
C B:ARG505 4.9 54.5 1.0
CD2 A:TRP449 5.0 65.5 1.0

Reference:

P.T.C.Wan, M.J.Garnett, S.M.Roe, S.Lee, D.Niculescu-Duvaz, V.M.Good, C.M.Jones, C.J.Marshall, C.J.Springer, D.Barford, R.Marais. Mechanism of Activation of the Raf-Erk Signaling Pathway By Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.) V. 116 855 2004.
ISSN: ISSN 0092-8674
PubMed: 15035987
DOI: 10.1016/S0092-8674(04)00215-6
Page generated: Sat Dec 12 08:51:10 2020

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