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: Fri Apr 7 12:29:08 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy