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Manganese in PDB 6zei: Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)

Enzymatic activity of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)

All present enzymatic activity of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580):
3.1.3.16;

Protein crystallography data

The structure of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580), PDB code: 6zei was solved by S.Mouilleron, R.Treisman, R.Fedoryshchak, R.Lee, A.M.Butler, M.Prechova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.37 / 1.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.795, 122.329, 69.424, 90.00, 92.27, 90.00
R / Rfree (%) 13 / 15.8

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580) (pdb code 6zei). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580), PDB code: 6zei:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 6zei

Go back to Manganese Binding Sites List in 6zei
Manganese binding site 1 out of 4 in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:11.3
occ:1.00
 OD1 A:ASN124 2.1 11.4 1.0
NE2 A:HIS173 2.2 10.7 1.0
ND1 A:HIS248 2.2 11.4 1.0
O4 A:PO4505 2.2 11.9 1.0
OD2 A:ASP92 2.3 11.3 1.0
O3 A:PO4505 2.3 13.2 1.0
P A:PO4505 2.9 12.5 1.0
HA A:HIS248 3.0 13.6 1.0
CE1 A:HIS248 3.1 12.2 1.0
HE1 A:HIS248 3.1 14.7 1.0
CG A:ASN124 3.2 11.1 1.0
CG A:ASP92 3.2 11.4 1.0
CD2 A:HIS173 3.2 11.3 1.0
CE1 A:HIS173 3.2 10.9 1.0
HD21 A:ASN124 3.2 13.8 1.0
HD2 A:HIS125 3.3 13.5 1.0
HD2 A:HIS173 3.4 13.6 1.0
CG A:HIS248 3.4 11.1 1.0
HE1 A:HIS173 3.4 13.0 1.0
MN A:MN502 3.4 11.4 1.0
OD1 A:ASP92 3.5 11.3 1.0
ND2 A:ASN124 3.6 11.5 1.0
HB2 A:HIS248 3.8 14.1 1.0
H A:ASN124 3.8 12.9 1.0
CA A:HIS248 3.8 11.3 1.0
CB A:HIS248 3.9 11.7 1.0
O1 A:PO4505 3.9 14.6 1.0
O2 A:PO4505 4.0 12.4 1.0
CD2 A:HIS125 4.1 11.2 1.0
OD2 A:ASP64 4.2 11.9 1.0
HE2 A:HIS125 4.2 15.3 1.0
NE2 A:HIS248 4.3 13.1 1.0
O A:HIS248 4.3 12.8 1.0
ND1 A:HIS173 4.3 10.0 1.0
CG A:HIS173 4.4 11.2 1.0
CD2 A:HIS248 4.4 12.0 1.0
HD22 A:ASN124 4.4 13.8 1.0
CB A:ASN124 4.5 11.3 1.0
CB A:ASP92 4.5 10.2 1.0
NE2 A:HIS125 4.5 12.8 1.0
N A:ASN124 4.6 10.7 1.0
HB2 A:ASP92 4.6 12.2 1.0
C A:HIS248 4.6 12.1 1.0
HB3 A:ASN124 4.6 13.6 1.0
H A:HIS125 4.6 12.3 1.0
HH12 A:ARG221 4.6 15.7 1.0
O A:LEU205 4.7 11.5 1.0
HB3 A:HIS248 4.8 14.1 1.0
HB3 A:ASP92 4.8 12.2 1.0
H A:HIS248 4.9 13.1 1.0
N A:HIS248 4.9 10.9 1.0
HE2 A:HIS248 5.0 15.7 1.0
HH22 A:ARG221 5.0 15.4 1.0

Manganese binding site 2 out of 4 in 6zei

Go back to Manganese Binding Sites List in 6zei
Manganese binding site 2 out of 4 in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn502

b:11.4
occ:1.00
 OD2 A:ASP64 2.0 11.9 1.0
O4 A:PO4505 2.0 11.9 1.0
NE2 A:HIS66 2.2 11.6 1.0
O A:HOH787 2.2 12.2 1.0
OD2 A:ASP92 2.2 11.3 1.0
O1 A:PO4505 2.9 14.6 1.0
P A:PO4505 3.1 12.5 1.0
CD2 A:HIS66 3.1 12.2 1.0
CE1 A:HIS66 3.2 11.3 1.0
CG A:ASP64 3.2 11.5 1.0
HB3 A:ASP92 3.3 12.2 1.0
CG A:ASP92 3.3 11.4 1.0
HD2 A:HIS66 3.3 14.6 1.0
HE1 A:HIS66 3.3 13.5 1.0
MN A:MN501 3.4 11.3 1.0
HB3 A:ASP64 3.5 13.6 1.0
HE1 A:PHE267 3.6 15.9 1.0
CB A:ASP92 3.6 10.2 1.0
HA A:HIS248 3.7 13.6 1.0
HB2 A:ASP92 3.7 12.2 1.0
HE1 A:HIS173 3.9 13.0 1.0
CB A:ASP64 3.9 11.3 1.0
O3 A:PO4505 3.9 13.2 1.0
HD2 A:HIS125 4.0 13.5 1.0
O A:HOH634 4.1 14.3 1.0
HE2 A:HIS125 4.1 15.3 1.0
O A:HOH620 4.1 17.1 1.0
OD1 A:ASP64 4.1 11.4 1.0
O2 A:PO4505 4.1 12.4 1.0
HB2 A:ASP64 4.2 13.6 1.0
ND1 A:HIS66 4.3 11.8 1.0
CG A:HIS66 4.3 12.9 1.0
CD2 A:HIS125 4.4 11.2 1.0
OD1 A:ASP92 4.4 11.3 1.0
CE1 A:PHE267 4.4 13.2 1.0
NE2 A:HIS125 4.4 12.8 1.0
CE1 A:HIS173 4.5 10.9 1.0
NE2 A:HIS173 4.5 10.7 1.0
CA A:HIS248 4.6 11.3 1.0
O A:HIS248 4.7 12.8 1.0
HH A:TYR272 4.7 23.4 1.0
H A:HIS248 4.7 13.1 1.0
OH A:TYR272 4.8 19.5 1.0
C A:HIS248 4.8 12.1 1.0
HZ A:PHE267 4.9 16.0 1.0

Manganese binding site 3 out of 4 in 6zei

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Manganese binding site 3 out of 4 in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn501

b:12.1
occ:1.00
 OD1 B:ASN124 2.1 11.7 1.0
ND1 B:HIS248 2.2 12.8 1.0
O1 B:PO4504 2.2 13.2 1.0
OD2 B:ASP92 2.2 11.4 1.0
NE2 B:HIS173 2.3 11.8 1.0
O4 B:PO4504 2.3 13.4 1.0
P B:PO4504 2.8 13.3 1.0
CE1 B:HIS248 3.1 12.3 1.0
HA B:HIS248 3.1 14.9 1.0
HE1 B:HIS248 3.1 14.8 1.0
CG B:ASN124 3.1 11.7 1.0
CG B:ASP92 3.2 10.2 1.0
HD21 B:ASN124 3.2 16.1 1.0
CD2 B:HIS173 3.2 11.7 1.0
HD2 B:HIS125 3.2 15.6 1.0
CE1 B:HIS173 3.3 11.4 1.0
HD2 B:HIS173 3.3 14.1 1.0
CG B:HIS248 3.4 12.8 1.0
MN B:MN502 3.4 12.7 1.0
HE1 B:HIS173 3.4 13.7 1.0
OD1 B:ASP92 3.5 11.6 1.0
ND2 B:ASN124 3.5 13.4 1.0
HB2 B:HIS248 3.7 14.4 1.0
H B:ASN124 3.8 14.0 1.0
CB B:HIS248 3.8 12.0 1.0
O3 B:PO4504 3.8 14.3 1.0
CA B:HIS248 3.8 12.4 1.0
O2 B:PO4504 4.0 14.4 1.0
CD2 B:HIS125 4.1 13.0 1.0
OD2 B:ASP64 4.2 11.8 1.0
NE2 B:HIS248 4.2 12.4 1.0
HE2 B:HIS125 4.3 16.6 1.0
O B:HIS248 4.3 13.4 1.0
ND1 B:HIS173 4.4 10.7 1.0
CG B:HIS173 4.4 10.4 1.0
HD22 B:ASN124 4.4 16.1 1.0
CD2 B:HIS248 4.4 11.8 1.0
CB B:ASP92 4.5 10.8 1.0
CB B:ASN124 4.5 11.5 1.0
HB2 B:ASP92 4.5 13.0 1.0
NE2 B:HIS125 4.6 13.9 1.0
HH12 B:ARG221 4.6 16.3 1.0
N B:ASN124 4.6 11.7 1.0
C B:HIS248 4.6 12.7 1.0
H B:HIS125 4.6 15.4 1.0
HB3 B:ASN124 4.7 13.8 1.0
O B:LEU205 4.7 12.3 1.0
HB3 B:HIS248 4.8 14.4 1.0
HB3 B:ASP92 4.8 13.0 1.0
H B:HIS248 4.8 13.7 1.0
N B:HIS248 4.9 11.4 1.0
HH22 B:ARG221 4.9 17.0 1.0
HB B:THR330 5.0 22.3 1.0
HE1 B:HIS66 5.0 16.0 1.0
HE2 B:HIS248 5.0 14.8 1.0

Manganese binding site 4 out of 4 in 6zei

Go back to Manganese Binding Sites List in 6zei
Manganese binding site 4 out of 4 in the Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of PP1-IRSP53 S455E Chimera [PP1(7-304) + Linker (G/S)X9 + IRSP53(449-465)] Bound to PHACTR1 (516-580) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn502

b:12.7
occ:1.00
 O1 B:PO4504 2.0 13.2 1.0
OD2 B:ASP64 2.0 11.8 1.0
NE2 B:HIS66 2.1 12.6 1.0
OD2 B:ASP92 2.2 11.4 1.0
O B:HOH769 2.2 13.7 1.0
O3 B:PO4504 2.9 14.3 1.0
P B:PO4504 3.0 13.3 1.0
CE1 B:HIS66 3.1 13.3 1.0
CD2 B:HIS66 3.1 13.1 1.0
CG B:ASP64 3.2 11.4 1.0
HB3 B:ASP92 3.2 13.0 1.0
CG B:ASP92 3.3 10.2 1.0
HE1 B:HIS66 3.3 16.0 1.0
HD2 B:HIS66 3.3 15.7 1.0
MN B:MN501 3.4 12.1 1.0
HB3 B:ASP64 3.5 14.6 1.0
HE1 B:PHE267 3.6 18.7 1.0
CB B:ASP92 3.6 10.8 1.0
HA B:HIS248 3.7 14.9 1.0
HB2 B:ASP92 3.7 13.0 1.0
CB B:ASP64 3.9 12.1 1.0
HE1 B:HIS173 3.9 13.7 1.0
O4 B:PO4504 4.0 13.4 1.0
HD2 B:HIS125 4.0 15.6 1.0
O B:HOH617 4.0 16.9 1.0
O B:HOH643 4.1 15.1 1.0
OD1 B:ASP64 4.1 12.4 1.0
O2 B:PO4504 4.1 14.4 1.0
HE2 B:HIS125 4.2 16.6 1.0
ND1 B:HIS66 4.2 12.5 1.0
HB2 B:ASP64 4.2 14.6 1.0
CG B:HIS66 4.3 12.9 1.0
CD2 B:HIS125 4.4 13.0 1.0
OD1 B:ASP92 4.4 11.6 1.0
CE1 B:PHE267 4.5 15.6 1.0
NE2 B:HIS125 4.5 13.9 1.0
CE1 B:HIS173 4.5 11.4 1.0
NE2 B:HIS173 4.5 11.8 1.0
CA B:HIS248 4.6 12.4 1.0
H B:HIS248 4.7 13.7 1.0
O B:HIS248 4.7 13.4 1.0
HH B:TYR272 4.7 21.5 1.0
C B:HIS248 4.8 12.7 1.0
OH B:TYR272 4.9 17.9 1.0
HZ B:PHE267 5.0 18.0 1.0
HD1 B:HIS66 5.0 15.0 1.0

Reference:

R.O.Fedoryshchak, M.Prechova, A.Butler, R.Lee, N.O'reilly, H.R.Flynn, A.P.Snijders, N.Eder, S.Ultanir, S.Mouilleron, R.Treisman. Molecular Basis For Substrate Specificity of the PHACTR1/PP1 Phosphatase Holoenzyme. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 32975518
DOI: 10.7554/ELIFE.61509
Page generated: Sun Oct 6 07:58:10 2024

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