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Chlorine in PDB 6xha: Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf

Enzymatic activity of Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf

All present enzymatic activity of Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf:
2.7.11.1; 3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf, PDB code: 6xha was solved by T.H.Tran, A.H.Chan, S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.30 / 2.87
Space group P 6 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.1, 132.1, 90.17, 90, 90, 120
R / Rfree (%) 21.7 / 26.9

Other elements in 6xha:

The structure of Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf also contains other interesting chemical elements:

Arsenic (As) 1 atom
Magnesium (Mg) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (pdb code 6xha). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf, PDB code: 6xha:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6xha

Go back to Chlorine Binding Sites List in 6xha
Chlorine binding site 1 out of 2 in the Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf


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 Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:122.5
occ:1.00
 OD1 A:ASP54 3.3 100.2 1.0
CG A:ASP54 3.8 97.2 1.0
NH2 B:ARG67 4.1 108.7 1.0
O A:ASP54 4.1 87.5 1.0
OD2 A:ASP54 4.2 97.3 1.0
NH1 B:ARG67 4.2 105.6 1.0
CB A:LEU56 4.3 75.2 1.0
CD A:LYS5 4.4 107.1 1.0
CB A:ASP54 4.6 78.8 1.0
CZ B:ARG67 4.7 105.5 1.0
CD2 A:LEU56 4.7 79.8 1.0
OG A:SER39 4.7 88.8 1.0
C A:ASP54 4.9 70.0 1.0
CG A:LEU56 4.9 74.7 1.0

Chlorine binding site 2 out of 2 in 6xha

Go back to Chlorine Binding Sites List in 6xha
Chlorine binding site 2 out of 2 in the Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Kras-G12V (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:117.2
occ:1.00
 O B:LEU62 3.3 57.8 1.0
CA B:LYS65 3.9 67.0 1.0
N B:LYS65 4.0 62.2 1.0
O3 B:GOL202 4.2 117.1 1.0
C B:LEU62 4.4 55.6 1.0
CB B:PHE61 4.4 67.8 1.0
CD B:GLN127 4.5 66.2 1.0
O2 B:GOL202 4.6 133.9 1.0
NE2 B:GLN127 4.7 69.0 1.0
O B:GLN66 4.7 83.3 1.0
OE1 B:GLN127 4.7 77.9 1.0
N B:GLN66 4.7 57.9 1.0
C3 B:GOL202 4.7 125.5 1.0
C B:LYS65 4.8 67.5 1.0
C B:PHE61 4.8 68.7 1.0
OD1 B:ASP129 4.9 80.4 1.0
N B:LEU62 4.9 60.5 1.0
CG B:GLN127 4.9 58.1 1.0
CG B:LYS65 4.9 71.0 1.0
CA B:PRO63 4.9 60.0 1.0
O B:PHE61 5.0 69.1 1.0
CB B:LYS65 5.0 64.8 1.0

Reference:

T.H.Tran, A.H.Chan, S.Dharmaiah, D.K.Simanshu. Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form I) Nat Commun 2020.
ISSN: ESSN 2041-1723
Page generated: Mon Jul 29 17:11:28 2024

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