Atomistry » Chlorine » PDB 6x6r-6xin » 6xi7
Atomistry »
  Chlorine »
    PDB 6x6r-6xin »
      6xi7 »

Chlorine in PDB 6xi7: 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)

Enzymatic activity of 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)

All present enzymatic activity of 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):
2.7.11.1; 3.6.5.2;

Protein crystallography data

The structure of 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), PDB code: 6xi7 was solved by A.H.Chan, 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) 45.95 / 1.95
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.89, 91.89, 154.11, 90, 90, 120
R / Rfree (%) 20.4 / 23.2

Other elements in 6xi7:

The structure of 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) also contains other interesting chemical elements:

Zinc (Zn) 3 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 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) (pdb code 6xi7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 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), PDB code: 6xi7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6xi7

Go back to Chlorine Binding Sites List in 6xi7
Chlorine binding site 1 out of 5 in the 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)


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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:93.6
occ:1.00
 OD1 A:ASP126 3.0 51.4 0.4
N A:THR127 3.1 50.4 1.0
CG A:ASP126 3.3 52.7 0.4
OD2 A:ASP126 3.6 54.7 0.1
CA A:ASP126 3.7 50.0 1.0
CG2 A:THR127 3.8 50.2 1.0
CD A:ARG123 3.8 59.7 1.0
C A:ASP126 3.9 48.1 1.0
CB A:THR127 4.0 54.0 1.0
CB A:ASP126 4.0 48.6 1.0
NH1 A:ARG123 4.0 58.9 1.0
NE A:ARG123 4.2 61.3 1.0
CA A:THR127 4.2 52.7 1.0
CZ A:ARG123 4.3 59.8 1.0
N A:ASP126 5.0 47.6 1.0
O A:VAL125 5.0 38.6 1.0

Chlorine binding site 2 out of 5 in 6xi7

Go back to Chlorine Binding Sites List in 6xi7
Chlorine binding site 2 out of 5 in the 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)


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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:88.4
occ:1.00
 O A:HOH318 3.1 47.2 1.0
NZ A:LYS167 3.5 54.0 1.0
CE A:LYS167 3.6 59.5 1.0
NZ A:LYS104 4.1 49.7 1.0
CG A:GLU76 4.6 45.7 1.0
CA A:GLU76 4.7 42.2 1.0
O A:GLY75 4.8 46.0 1.0
CD A:LYS167 4.8 56.1 1.0
CB A:GLU76 4.8 43.2 1.0
CE1 A:HIS166 4.9 49.6 1.0
CE A:LYS104 5.0 49.1 1.0

Chlorine binding site 3 out of 5 in 6xi7

Go back to Chlorine Binding Sites List in 6xi7
Chlorine binding site 3 out of 5 in the 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)


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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:62.3
occ:1.00
 O A:HOH331 3.0 47.7 1.0
O A:HOH335 3.0 47.9 1.0
N A:ASP154 3.0 39.0 1.0
CB A:ASP153 3.3 42.2 1.0
N A:ASP153 3.4 40.8 1.0
CA A:GLY151 3.4 35.8 1.0
C A:GLY151 3.5 36.3 1.0
N A:GLY151 3.5 34.9 1.0
CA A:ASP153 3.7 41.8 1.0
N A:VAL152 3.7 38.9 1.0
CB A:ASP154 3.7 41.1 1.0
C A:ASP153 3.8 40.5 1.0
CA A:ASP154 4.0 38.8 1.0
O A:GLY151 4.0 37.2 1.0
C A:VAL152 4.2 39.2 1.0
CG A:ASP153 4.5 47.1 1.0
CG A:ASP154 4.6 43.4 0.4
CA A:VAL152 4.6 39.7 1.0
O A:ARG149 4.6 42.0 1.0
OD2 A:ASP154 4.6 46.5 0.8
C A:GLN150 4.8 38.5 1.0
O A:HOH337 4.8 64.1 1.0
O A:HOH353 4.9 51.1 1.0
O A:ASP153 5.0 38.2 1.0

Chlorine binding site 4 out of 5 in 6xi7

Go back to Chlorine Binding Sites List in 6xi7
Chlorine binding site 4 out of 5 in the 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)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 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) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:93.7
occ:1.00
 O B:HOH310 3.2 76.8 1.0
N B:LYS148 3.3 80.8 1.0
N B:LEU147 3.4 70.4 1.0
NZ B:LYS148 3.5 94.8 1.0
CB B:LYS148 3.8 86.3 1.0
CE B:LYS148 4.0 95.3 1.0
CA B:PHE146 4.0 64.1 1.0
CA B:LYS148 4.1 84.3 1.0
C B:PHE146 4.1 67.4 1.0
CA B:LEU147 4.2 74.1 1.0
C B:LEU147 4.2 76.6 1.0
CB B:PHE146 4.2 62.2 1.0
CG B:LYS148 4.3 93.9 1.0
O B:LYS148 4.4 74.0 1.0
CD2 B:PHE146 4.4 60.0 1.0
CE B:LYS144 4.4 63.8 1.0
NZ B:LYS144 4.4 71.7 1.0
CB B:LEU147 4.5 74.6 1.0
C B:LYS148 4.6 80.0 1.0
CD1 B:LEU147 4.6 71.3 1.0
CD B:LYS148 4.8 98.0 1.0
CG B:PHE146 4.8 60.2 1.0

Chlorine binding site 5 out of 5 in 6xi7

Go back to Chlorine Binding Sites List in 6xi7
Chlorine binding site 5 out of 5 in the 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)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 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) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:90.0
occ:1.00
 CE2 B:TYR170 3.7 67.8 1.0
CZ B:TYR170 3.9 67.1 1.0
CD2 B:TYR170 4.0 66.1 1.0
OH B:TYR170 4.3 69.5 1.0
OD2 B:ASP153 4.3 63.9 1.0
CE1 B:TYR170 4.3 65.3 1.0
CG B:TYR170 4.4 64.7 1.0
CD1 B:TYR170 4.5 63.8 1.0
CG B:ASP153 4.6 63.6 1.0
CB B:ASP153 4.8 61.8 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: Sat Jul 12 21:40:02 2025

Last articles

Mg in 4X5C
Mg in 4X5E
Mg in 4X5V
Mg in 4X5B
Mg in 4X59
Mg in 4X58
Mg in 4X4V
Mg in 4X4S
Mg in 4X4R
Mg in 4X4Q
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy