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Chlorine in PDB 6xhb: 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 II)

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 II)

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 II):
2.7.11.1;

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 II), PDB code: 6xhb 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) 48.65 / 2.50
Space group P 6 2 2
Cell size a, b, c (Å), α, β, γ (°) 133.984, 133.984, 89.275, 90, 90, 120
R / Rfree (%) 18.6 / 22.1

Other elements in 6xhb:

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 II) also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Arsenic (As) 1 atom
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 II) (pdb code 6xhb). 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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II), PDB code: 6xhb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6xhb

Go back to Chlorine Binding Sites List in 6xhb
Chlorine binding site 1 out of 3 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 II)


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 II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:95.4
occ:1.00
 O A:HOH323 3.1 50.6 1.0
O A:HOH306 3.3 44.8 1.0
O B:HOH306 3.3 49.9 1.0
O A:HOH331 3.7 74.5 1.0
CG2 B:THR138 3.7 50.4 1.0
O B:THR182 4.0 41.2 1.0
O A:ARG41 4.1 48.6 1.0
CA A:LYS42 4.5 56.0 1.0
CB B:THR138 4.5 50.0 1.0
C A:ARG41 4.5 42.3 1.0
CD2 A:LEU52 4.6 49.5 1.0
CG A:GLN43 4.6 57.4 1.0
N A:GLN43 4.6 51.2 1.0
N A:LYS42 4.7 51.4 1.0
NE2 A:GLN43 4.7 56.8 1.0
C B:THR182 4.8 43.2 1.0
OD1 B:ASN64 4.9 74.6 1.0
CG B:ASN64 4.9 66.0 1.0
C A:LYS42 5.0 51.5 1.0

Chlorine binding site 2 out of 3 in 6xhb

Go back to Chlorine Binding Sites List in 6xhb
Chlorine binding site 2 out of 3 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 II)


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 II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:111.1
occ:1.00
 NE2 A:GLN22 3.4 54.7 1.0
OE1 A:GLN22 3.7 65.4 1.0
CD A:GLN22 4.0 62.0 1.0
O A:LYS147 4.1 68.2 1.0
O A:ASN26 4.4 65.3 1.0
N A:PHE28 4.5 57.6 1.0
CB A:PHE28 4.5 62.5 1.0
CA A:HIS27 4.8 71.5 1.0
OD1 A:ASN26 4.9 68.7 1.0
C A:HIS27 4.9 65.3 1.0
C A:ASN26 5.0 66.4 1.0
CB A:ARG149 5.0 58.4 1.0

Chlorine binding site 3 out of 3 in 6xhb

Go back to Chlorine Binding Sites List in 6xhb
Chlorine binding site 3 out of 3 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 II)


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 II) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:74.2
occ:1.00
 O B:HOH325 3.0 44.0 1.0
NZ B:LYS109 3.4 53.5 1.0
CE B:LYS109 4.0 48.5 1.0
CB B:ASP129 4.1 43.4 1.0
CG B:ASP129 4.2 50.4 1.0
OD2 B:ASP129 4.4 55.1 1.0
O B:PHE130 4.4 43.0 1.0
CZ B:PHE99 4.4 34.7 1.0
CE1 B:PHE99 4.7 48.5 1.0
OD1 B:ASP129 4.8 56.3 1.0
OD1 B:ASP132 4.9 43.6 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 II) To Be Published.
Page generated: Mon Jul 29 17:11:44 2024

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