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Chlorine in PDB 6vjj: Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

Enzymatic activity of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

All present enzymatic activity of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf, PDB code: 6vjj was solved by T.H.Tran, S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.03 / 1.40
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.132, 67.572, 71.260, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19.5

Other elements in 6vjj:

The structure of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf (pdb code 6vjj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf, PDB code: 6vjj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6vjj

Go back to Chlorine Binding Sites List in 6vjj
Chlorine binding site 1 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) 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 Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:35.9
occ:1.00
 O A:HOH331 2.9 24.7 1.0
NH1 A:ARG135 3.1 20.6 1.0
CD A:ARG135 3.7 20.4 1.0
CA A:GLY138 3.7 15.6 1.0
C A:GLY138 3.9 15.2 1.0
N A:ILE139 4.1 14.0 1.0
CZ A:ARG135 4.2 20.4 1.0
O A:GLY138 4.4 17.3 1.0
CA A:ARG135 4.4 14.6 1.0
NE A:ARG135 4.4 21.9 1.0
O A:ILE139 4.4 15.3 1.0
O A:ARG135 4.6 15.5 1.0
N A:GLY138 4.6 16.8 1.0
O A:ALA134 4.8 14.3 1.0
C A:ILE139 4.9 13.7 1.0
CG A:ARG135 4.9 19.6 1.0

Chlorine binding site 2 out of 3 in 6vjj

Go back to Chlorine Binding Sites List in 6vjj
Chlorine binding site 2 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) 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 Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:59.5
occ:1.00
 O A:HOH307 3.0 43.0 1.0
NE2 A:GLN43 3.1 27.3 1.0
CG A:GLN43 3.8 19.6 1.0
CD A:GLN43 3.9 20.7 1.0
CG2 A:THR50 4.0 30.4 1.0
CG2 A:VAL45 4.0 25.2 1.0
CB A:GLN43 4.7 18.1 1.0
O A:GLN43 4.8 21.7 1.0
C A:GLN43 4.8 21.2 1.0
OG1 A:THR50 4.8 31.0 1.0
N A:VAL44 4.9 20.6 1.0
N A:VAL45 4.9 19.2 1.0
CA A:VAL44 5.0 19.5 0.5
C A:VAL44 5.0 19.8 1.0

Chlorine binding site 3 out of 3 in 6vjj

Go back to Chlorine Binding Sites List in 6vjj
Chlorine binding site 3 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:26.5
occ:1.00
 O B:HOH348 2.6 42.8 1.0
O A:HOH388 3.8 35.6 1.0
N A:MET67 3.8 18.6 0.9
CB A:MET67 3.9 22.9 0.9
CA A:TYR64 4.0 15.4 1.0
CB A:ALA66 4.2 19.6 1.0
CD1 A:TYR64 4.2 23.7 1.0
O A:HOH335 4.3 21.9 1.0
O A:TYR64 4.3 17.9 1.0
C A:TYR64 4.3 16.6 1.0
CB A:TYR64 4.3 18.6 1.0
CA A:MET67 4.4 20.9 0.9
O A:GLU63 4.4 17.3 0.8
C A:ALA66 4.6 20.1 1.0
N A:ALA66 4.6 17.1 1.0
CA A:ALA66 4.7 17.4 1.0
CG A:TYR64 4.8 19.6 1.0

Reference:

T.H.Tran, D.K.Simanshu. Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf To Be Published.
Page generated: Sat Jul 12 20:56:59 2025

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