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Manganese in PDB 7txh: Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA

Enzymatic activity of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA

All present enzymatic activity of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA:
3.1.3.16; 3.6.5.2;

Protein crystallography data

The structure of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA, PDB code: 7txh was solved by Z.J.Hauseman, J.Viscomi, A.Dhembi, K.Clark, D.A.King, M.Fodor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.26 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.959, 115.755, 137.804, 90, 100.31, 90
R / Rfree (%) 16.7 / 21

Other elements in 7txh:

The structure of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA (pdb code 7txh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA, PDB code: 7txh:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7txh

Go back to Manganese Binding Sites List in 7txh
Manganese binding site 1 out of 4 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn501

b:81.0
occ:1.00
 OD2 C:ASP64 2.3 40.6 1.0
OD2 C:ASP92 2.4 38.5 1.0
O3 C:PO4503 2.5 46.6 1.0
NE2 C:HIS66 2.7 46.2 1.0
MN C:MN502 2.7 36.3 1.0
O2 C:PO4503 2.9 44.4 1.0
P C:PO4503 3.2 48.0 1.0
CE1 C:HIS66 3.5 47.3 1.0
CG C:ASP92 3.5 40.5 1.0
CG C:ASP64 3.6 38.2 1.0
O4 C:PO4503 3.6 49.1 1.0
CD2 C:HIS66 3.7 47.4 1.0
O C:HIS248 3.7 42.4 1.0
ND1 C:HIS248 4.1 36.9 1.0
CB C:ASP92 4.1 37.7 1.0
CA C:HIS248 4.1 36.9 1.0
NE2 C:HIS173 4.2 35.1 1.0
C C:HIS248 4.2 40.8 1.0
OD1 C:ASP64 4.3 38.7 1.0
CE1 C:HIS173 4.4 35.9 1.0
CD2 C:HIS125 4.5 39.8 1.0
CB C:ASP64 4.5 40.7 1.0
CE1 C:PHE267 4.5 44.0 1.0
OD1 C:ASN124 4.5 33.0 1.0
OD1 C:ASP92 4.6 36.7 1.0
O1 C:PO4503 4.6 52.8 1.0
NE2 C:HIS125 4.7 46.1 1.0
ND1 C:HIS66 4.7 47.6 1.0
OH C:TYR272 4.7 56.8 1.0
CG C:HIS66 4.8 47.2 1.0
CE1 C:HIS248 4.9 38.7 1.0
N C:HIS248 4.9 34.2 1.0

Manganese binding site 2 out of 4 in 7txh

Go back to Manganese Binding Sites List in 7txh
Manganese binding site 2 out of 4 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn502

b:36.3
occ:1.00
 OD1 C:ASN124 2.1 33.0 1.0
OD2 C:ASP92 2.1 38.5 1.0
O2 C:PO4503 2.1 44.4 1.0
ND1 C:HIS248 2.2 36.9 1.0
NE2 C:HIS173 2.3 35.1 1.0
MN C:MN501 2.7 81.0 1.0
CE1 C:HIS248 2.9 38.7 1.0
CG C:ASN124 3.1 36.5 1.0
CG C:ASP92 3.2 40.5 1.0
CE1 C:HIS173 3.2 35.9 1.0
CD2 C:HIS173 3.3 32.0 1.0
CG C:HIS248 3.4 35.5 1.0
P C:PO4503 3.5 48.0 1.0
ND2 C:ASN124 3.5 36.0 1.0
OD1 C:ASP92 3.6 36.7 1.0
CA C:HIS248 3.8 36.9 1.0
O3 C:PO4503 3.9 46.6 1.0
CB C:HIS248 3.9 37.1 1.0
OD2 C:ASP64 4.1 40.6 1.0
NE2 C:HIS248 4.1 34.4 1.0
O C:HIS248 4.1 42.4 1.0
O4 C:PO4503 4.1 49.1 1.0
CD2 C:HIS125 4.2 39.8 1.0
CD2 C:HIS248 4.3 35.3 1.0
ND1 C:HIS173 4.3 34.6 1.0
CG C:HIS173 4.4 32.7 1.0
CB C:ASN124 4.4 32.9 1.0
CB C:ASP92 4.4 37.7 1.0
C C:HIS248 4.5 40.8 1.0
N C:ASN124 4.5 33.3 1.0
O1 C:PO4503 4.6 52.8 1.0
O C:LEU205 4.8 31.3 1.0
NE2 C:HIS125 4.8 46.1 1.0
N C:HIS248 4.9 34.2 1.0
NE2 C:HIS66 4.9 46.2 1.0

Manganese binding site 3 out of 4 in 7txh

Go back to Manganese Binding Sites List in 7txh
Manganese binding site 3 out of 4 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn501

b:74.8
occ:1.00
 O2 F:PO4503 2.2 34.9 1.0
OD2 F:ASP64 2.3 29.3 1.0
OD2 F:ASP92 2.5 25.9 1.0
MN F:MN502 2.7 26.0 1.0
NE2 F:HIS66 2.9 33.5 1.0
O3 F:PO4503 3.0 27.1 1.0
P F:PO4503 3.1 34.6 1.0
CG F:ASP64 3.5 27.6 1.0
CG F:ASP92 3.6 26.0 1.0
O F:HIS248 3.7 26.6 1.0
O1 F:PO4503 3.7 36.0 1.0
CD2 F:HIS66 3.8 32.3 1.0
CE1 F:HIS66 3.9 31.2 1.0
CA F:HIS248 4.0 19.3 1.0
NE2 F:HIS173 4.0 21.5 1.0
ND1 F:HIS248 4.1 25.2 1.0
C F:HIS248 4.1 25.8 1.0
CE1 F:HIS173 4.2 23.3 1.0
CB F:ASP92 4.2 24.5 1.0
OD1 F:ASP64 4.2 26.8 1.0
OH F:TYR272 4.3 42.8 1.0
O4 F:PO4503 4.4 36.0 1.0
CE1 F:PHE267 4.5 26.1 1.0
CB F:ASP64 4.6 26.1 1.0
CD2 F:HIS125 4.6 27.4 1.0
OD1 F:ASN124 4.6 18.6 1.0
OD1 F:ASP92 4.7 23.4 1.0
NE2 F:HIS125 4.8 30.9 1.0
NH1 F:ARG96 4.8 41.2 1.0
N F:HIS248 4.8 20.8 1.0
CG F:HIS248 4.9 22.3 1.0
CE1 F:HIS248 4.9 24.4 1.0
CB F:HIS248 4.9 23.0 1.0
ND1 F:HIS66 5.0 29.6 1.0

Manganese binding site 4 out of 4 in 7txh

Go back to Manganese Binding Sites List in 7txh
Manganese binding site 4 out of 4 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn502

b:26.0
occ:1.00
 O3 F:PO4503 2.1 27.1 1.0
NE2 F:HIS173 2.2 21.5 1.0
ND1 F:HIS248 2.2 25.2 1.0
OD1 F:ASN124 2.2 18.6 1.0
OD2 F:ASP92 2.3 25.9 1.0
MN F:MN501 2.7 74.8 1.0
CE1 F:HIS248 3.0 24.4 1.0
CE1 F:HIS173 3.2 23.3 1.0
CD2 F:HIS173 3.2 22.5 1.0
CG F:ASN124 3.2 23.0 1.0
CG F:ASP92 3.2 26.0 1.0
CG F:HIS248 3.4 22.3 1.0
P F:PO4503 3.4 34.6 1.0
ND2 F:ASN124 3.6 21.3 1.0
OD1 F:ASP92 3.6 23.4 1.0
O2 F:PO4503 3.7 34.9 1.0
CA F:HIS248 3.7 19.3 1.0
CB F:HIS248 3.8 23.0 1.0
OD2 F:ASP64 4.1 29.3 1.0
O F:HIS248 4.1 26.6 1.0
O1 F:PO4503 4.2 36.0 1.0
NE2 F:HIS248 4.2 26.4 1.0
CD2 F:HIS125 4.2 27.4 1.0
ND1 F:HIS173 4.3 22.2 1.0
CG F:HIS173 4.3 20.8 1.0
CD2 F:HIS248 4.4 22.5 1.0
C F:HIS248 4.4 25.8 1.0
CB F:ASP92 4.5 24.5 1.0
O4 F:PO4503 4.5 36.0 1.0
CB F:ASN124 4.5 19.0 1.0
N F:ASN124 4.5 19.4 1.0
O F:LEU205 4.8 21.0 1.0
N F:HIS248 4.8 20.8 1.0
NE2 F:HIS125 4.9 30.9 1.0
NE2 F:HIS66 4.9 33.5 1.0
CG F:ASP64 5.0 27.6 1.0

Reference:

Z.J.Hauseman, M.Fodor, A.Dhembi, J.Viscomi, D.Egli, M.Bleu, S.Katz, E.Park, D.M.Jang, K.A.Porter, F.Meili, H.Guo, G.Kerr, S.Molle, C.Velez-Vega, K.S.Beyer, G.G.Galli, S.M.Maira, T.Stams, K.Clark, M.J.Eck, L.Tordella, C.R.Thoma, D.A.King. Structure of the Mras-SHOC2-PP1C Phosphatase Complex. Nature V. 609 416 2022.
ISSN: ESSN 1476-4687
PubMed: 35830882
DOI: 10.1038/S41586-022-05086-1
Page generated: Sun Oct 6 10:39:06 2024

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