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Manganese 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:

Chlorine (Cl) 5 atoms
Sodium (Na) 2 atoms
Magnesium (Mg) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total 4 binding sites of Manganese 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 Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7tvf

Go back to Manganese Binding Sites List in 7tvf
Manganese binding site 1 out of 4 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 Manganese with other atoms in the Mn 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:Mn405

b:46.0
occ:1.00
 ND1 F:HIS248 2.1 42.5 1.0
OD1 F:ASN124 2.1 38.8 1.0
NE2 F:HIS173 2.1 37.5 1.0
O F:HOH536 2.3 54.4 1.0
OD2 F:ASP92 2.4 34.5 1.0
CE1 F:HIS248 2.9 42.0 1.0
CE1 F:HIS173 3.0 33.8 1.0
CG F:ASN124 3.1 37.7 1.0
CD2 F:HIS173 3.1 34.6 1.0
CG F:HIS248 3.2 39.2 1.0
MN F:MN406 3.2 61.5 1.0
CG F:ASP92 3.3 37.9 1.0
CA F:HIS248 3.5 36.4 1.0
ND2 F:ASN124 3.6 38.9 1.0
OD1 F:ASP92 3.6 36.0 1.0
O F:HOH588 3.6 57.6 1.0
CB F:HIS248 3.7 35.5 1.0
O F:HIS248 3.8 51.3 1.0
OD2 F:ASP64 4.0 40.6 1.0
NE2 F:HIS248 4.1 45.0 1.0
ND1 F:HIS173 4.1 34.4 1.0
C F:HIS248 4.1 44.2 1.0
CG F:HIS173 4.2 33.9 1.0
CD2 F:HIS248 4.2 35.7 1.0
CD2 F:HIS125 4.3 40.0 1.0
CB F:ASN124 4.3 36.6 1.0
N F:ASN124 4.5 34.1 1.0
N F:HIS248 4.5 33.0 1.0
O F:LEU205 4.5 38.5 1.0
CB F:ASP92 4.5 31.5 1.0
CG F:ASP64 4.8 39.7 1.0
NE2 F:HIS125 4.9 46.3 1.0
CA F:ASN124 5.0 37.0 1.0
OD1 F:ASP64 5.0 40.5 1.0

Manganese binding site 2 out of 4 in 7tvf

Go back to Manganese Binding Sites List in 7tvf
Manganese binding site 2 out of 4 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 Manganese with other atoms in the Mn 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
F:Mn406

b:61.5
occ:1.00
 OD2 F:ASP64 2.1 40.6 1.0
OD2 F:ASP92 2.1 34.5 1.0
NE2 F:HIS66 2.2 40.8 1.0
O F:HOH536 2.5 54.4 1.0
CE1 F:HIS66 3.1 40.1 1.0
CG F:ASP92 3.2 37.9 1.0
MN F:MN405 3.2 46.0 1.0
CG F:ASP64 3.2 39.7 1.0
CD2 F:HIS66 3.3 41.1 1.0
O4 F:PO4408 3.4 125.8 1.0
CB F:ASP92 3.7 31.5 1.0
O F:HIS248 3.9 51.3 1.0
CB F:ASP64 4.0 41.1 1.0
O F:HOH588 4.1 57.6 1.0
CD2 F:HIS125 4.1 40.0 1.0
OD1 F:ASP64 4.2 40.5 1.0
ND1 F:HIS66 4.2 42.2 1.0
OD1 F:ASP92 4.3 36.0 1.0
CE2 F:PHE267 4.3 41.1 1.0
NE2 F:HIS125 4.3 46.3 1.0
CG F:HIS66 4.4 46.1 1.0
NE2 F:HIS173 4.4 37.5 1.0
CE1 F:HIS173 4.4 33.8 1.0
C F:HIS248 4.4 44.2 1.0
OH F:TYR272 4.5 60.9 1.0
CA F:HIS248 4.5 36.4 1.0
OD1 F:ASN124 4.6 38.8 1.0
ND1 F:HIS248 4.8 42.5 1.0
P F:PO4408 4.8 147.9 1.0
CZ F:PHE267 4.9 45.3 1.0

Manganese binding site 3 out of 4 in 7tvf

Go back to Manganese Binding Sites List in 7tvf
Manganese binding site 3 out of 4 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 Manganese with other atoms in the Mn 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
C:Mn403

b:52.0
occ:1.00
 OD1 C:ASN124 2.0 49.3 1.0
NE2 C:HIS173 2.1 44.5 1.0
ND1 C:HIS248 2.2 46.5 1.0
OD2 C:ASP92 2.3 47.5 1.0
O C:HOH566 2.7 67.5 1.0
CE1 C:HIS248 2.9 48.7 1.0
CG C:ASN124 3.0 45.0 1.0
CE1 C:HIS173 3.0 44.6 1.0
CD2 C:HIS173 3.2 36.6 1.0
MN C:MN404 3.2 58.8 1.0
CG C:ASP92 3.2 45.4 1.0
CG C:HIS248 3.4 47.5 1.0
ND2 C:ASN124 3.5 47.8 1.0
OD1 C:ASP92 3.6 44.2 1.0
CA C:HIS248 3.6 42.4 1.0
CB C:HIS248 3.9 41.8 1.0
OD2 C:ASP64 3.9 46.3 1.0
O C:HIS248 3.9 54.8 1.0
O C:HOH554 4.0 58.7 1.0
CD2 C:HIS125 4.1 49.8 1.0
NE2 C:HIS248 4.1 50.4 1.0
ND1 C:HIS173 4.2 42.5 1.0
CB C:ASN124 4.3 44.1 1.0
CG C:HIS173 4.3 42.8 1.0
C C:HIS248 4.3 51.8 1.0
CD2 C:HIS248 4.4 45.6 1.0
N C:ASN124 4.4 35.3 1.0
CB C:ASP92 4.4 41.0 1.0
O C:LEU205 4.6 42.2 1.0
N C:HIS248 4.7 40.0 1.0
NE2 C:HIS125 4.7 55.0 1.0
O C:HOH608 4.8 57.0 1.0
CG C:ASP64 4.8 44.5 1.0
CA C:ASN124 4.9 40.3 1.0

Manganese binding site 4 out of 4 in 7tvf

Go back to Manganese Binding Sites List in 7tvf
Manganese binding site 4 out of 4 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 Manganese with other atoms in the Mn 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
C:Mn404

b:58.8
occ:1.00
 OD2 C:ASP64 2.0 46.3 1.0
OD2 C:ASP92 2.1 47.5 1.0
NE2 C:HIS66 2.2 55.8 1.0
O C:HOH608 2.6 57.0 1.0
O C:HOH566 2.8 67.5 1.0
CE1 C:HIS66 3.0 49.8 1.0
CG C:ASP64 3.1 44.5 1.0
CG C:ASP92 3.2 45.4 1.0
MN C:MN403 3.2 52.0 1.0
CD2 C:HIS66 3.2 51.3 1.0
CB C:ASP92 3.6 41.0 1.0
CB C:ASP64 3.8 43.5 1.0
O C:HIS248 4.0 54.8 1.0
OD1 C:ASP64 4.1 47.8 1.0
CD2 C:HIS125 4.1 49.8 1.0
ND1 C:HIS66 4.2 54.2 1.0
OD1 C:ASP92 4.3 44.2 1.0
CG C:HIS66 4.3 54.7 1.0
NE2 C:HIS125 4.3 55.0 1.0
CE1 C:PHE267 4.4 47.2 1.0
O C:HOH554 4.4 58.7 1.0
CE1 C:HIS173 4.4 44.6 1.0
NE2 C:HIS173 4.4 44.5 1.0
CA C:HIS248 4.6 42.4 1.0
C C:HIS248 4.6 51.8 1.0
OD1 C:ASN124 4.6 49.3 1.0
OH C:TYR272 4.7 67.2 1.0
ND1 C:HIS248 4.8 46.5 1.0
CZ C:PHE267 5.0 53.8 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: Sun Oct 6 10:37:52 2024

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