Chlorine in PDB 7tvf: Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom

Enzymatic activity of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom

All present enzymatic activity of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom:
3.1.3.16; 3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom, PDB code: 7tvf was solved by D.A.Bonsor, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 101.70 / 2.17
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 129.938, 129.938, 326.795, 90, 90, 90
R / Rfree (%) 19.9 / 22.6

Other elements in 7tvf:

The structure of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom also contains other interesting chemical elements:

Sodium (Na) 2 atoms
Manganese (Mn) 4 atoms
Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom (pdb code 7tvf). 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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom, PDB code: 7tvf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7tvf

Go back to Chlorine Binding Sites List in 7tvf
Chlorine binding site 1 out of 5 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl409

b:88.6
occ:1.00
 O D:HOH866 3.3 73.2 1.0
CA F:LYS238 3.8 39.4 1.0
O F:HOH613 3.8 60.0 1.0
CD2 F:HIS237 3.9 68.5 1.0
CB F:LYS238 4.1 41.6 1.0
CG F:LYS238 4.3 46.9 1.0
N F:LYS238 4.4 39.4 1.0
NE2 F:HIS237 4.5 76.6 1.0
NZ D:LYS134 4.7 71.5 1.0
CG2 D:THR81 4.7 90.0 1.0
OG D:SER111 4.7 53.3 1.0
O F:HIS237 4.7 48.4 1.0
C F:HIS237 4.8 42.0 1.0
C F:LYS238 4.9 43.8 1.0
O F:LYS238 4.9 42.2 1.0

Chlorine binding site 2 out of 5 in 7tvf

Go back to Chlorine Binding Sites List in 7tvf
Chlorine binding site 2 out of 5 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:70.3
occ:1.00
 O C:HOH599 2.8 48.9 1.0
NH2 A:ARG182 3.5 39.8 1.0
NH1 A:ARG182 3.5 39.2 1.0
OE2 C:GLU56 3.8 73.0 1.0
O C:GLU54 4.0 42.7 1.0
CZ A:ARG182 4.0 45.8 1.0
CG C:GLU56 4.0 84.8 1.0
CZ A:ARG203 4.3 45.0 1.0
NE A:ARG203 4.3 40.1 1.0
NH1 A:ARG203 4.3 38.8 1.0
CD C:GLU56 4.3 89.3 1.0
CD A:ARG203 4.3 39.1 1.0
CB C:GLU54 4.4 37.9 1.0
C C:GLU54 4.5 40.2 1.0
NH2 A:ARG203 4.8 33.5 1.0
O C:LEU55 5.0 46.3 1.0

Chlorine binding site 3 out of 5 in 7tvf

Go back to Chlorine Binding Sites List in 7tvf
Chlorine binding site 3 out of 5 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:61.4
occ:1.00
 O A:HOH745 2.8 36.7 1.0
OG1 A:THR356 2.8 41.0 1.0
N A:THR356 2.8 35.7 1.0
O A:GLN353 3.0 42.8 1.0
N A:SER355 3.2 41.6 1.0
C A:PHE354 3.3 41.9 1.0
N A:ILE357 3.3 36.4 1.0
CA A:PHE354 3.4 45.7 1.0
CG2 A:ILE357 3.5 37.6 1.0
CA A:THR356 3.5 36.2 1.0
C A:GLN353 3.6 44.9 1.0
O A:HOH717 3.6 47.8 1.0
CB A:THR356 3.6 42.1 1.0
N A:PHE354 3.8 38.7 1.0
C A:THR356 3.8 39.2 1.0
C A:SER355 3.9 43.4 1.0
O A:PHE354 4.0 39.4 1.0
CG1 A:ILE357 4.0 37.8 1.0
CA A:SER355 4.0 45.7 1.0
CG2 A:THR356 4.1 37.8 1.0
CB A:ILE357 4.1 38.7 1.0
O A:SER352 4.3 51.3 1.0
CA A:ILE357 4.3 37.2 1.0
O A:LEU333 4.3 41.4 1.0
CD1 A:ILE357 4.7 32.5 1.0
CB A:PHE354 4.8 44.6 1.0
O A:LEU327 4.8 43.6 1.0
CA A:GLN353 4.8 48.6 1.0
CB A:LEU333 4.8 37.5 1.0
CB A:SER355 4.9 42.2 1.0
O A:THR356 5.0 43.0 1.0

Chlorine binding site 4 out of 5 in 7tvf

Go back to Chlorine Binding Sites List in 7tvf
Chlorine binding site 4 out of 5 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:95.6
occ:1.00
 NZ A:LYS134 3.3 68.5 1.0
ND1 C:HIS237 3.5 64.7 1.0
CE1 C:HIS237 3.7 70.4 1.0
O C:HOH579 3.8 59.8 1.0
CA C:LYS238 3.9 51.1 1.0
CB C:LYS238 4.3 46.9 1.0
CE A:LYS134 4.3 64.3 1.0
N C:LYS238 4.5 48.2 1.0
CG C:LYS238 4.6 50.7 1.0
O C:HIS237 4.6 50.7 1.0
C C:HIS237 4.8 49.8 1.0
CG C:HIS237 4.8 67.9 1.0
OG A:SER111 4.9 52.8 1.0
O C:LYS238 4.9 42.3 1.0
C C:LYS238 4.9 50.2 1.0
NE2 C:HIS237 4.9 74.8 1.0

Chlorine binding site 5 out of 5 in 7tvf

Go back to Chlorine Binding Sites List in 7tvf
Chlorine binding site 5 out of 5 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl606

b:82.5
occ:1.00
 O F:HOH526 2.5 68.2 1.0
O F:HOH646 3.4 48.1 1.0
NH2 D:ARG182 3.4 65.1 1.0
O F:GLU54 3.8 41.0 1.0
CG F:GLU56 4.2 62.1 1.0
NH1 D:ARG182 4.3 61.8 1.0
CZ D:ARG182 4.3 77.6 1.0
CD D:ARG203 4.3 47.2 1.0
CB F:GLU54 4.3 38.7 1.0
NE D:ARG203 4.4 52.0 1.0
CD F:GLU56 4.4 74.2 1.0
C F:GLU54 4.4 41.4 1.0
OE2 F:GLU56 4.5 79.2 1.0
CZ D:ARG203 4.6 47.9 1.0
O F:HOH503 4.6 58.8 1.0
NH1 D:ARG203 4.7 52.5 1.0
CG D:ARG203 4.8 47.6 1.0
OE1 F:GLU54 4.9 60.5 1.0
NZ D:LYS226 5.0 63.1 1.0

Reference:

D.A.Bonsor, P.Alexander, K.Snead, N.Hartig, M.Drew, S.Messing, L.I.Finci, D.V.Nissley, F.Mccormick, D.Esposito, P.Rodriguez-Viciana, A.G.Stephen, D.K.Simanshu. Structure of the SHOC2-Mras-PP1C Complex Provides Insights Into Raf Activation and Noonan Syndrome. Nat.Struct.Mol.Biol. V. 29 966 2022.
ISSN: ESSN 1545-9985
PubMed: 36175670
DOI: 10.1038/S41594-022-00841-4
Page generated: Tue Jul 30 04:49:53 2024

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