Atomistry » Manganese » PDB 2ayl-2ce4 » 2bcd
Atomistry »
  Manganese »
    PDB 2ayl-2ce4 »
      2bcd »

Manganese in PDB 2bcd: X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound

Enzymatic activity of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound

All present enzymatic activity of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound:
3.1.3.16;

Protein crystallography data

The structure of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound, PDB code: 2bcd was solved by J.T.Maynes, H.A.Luu, M.M.Cherney, R.J.Andersen, D.Williams, C.F.Holmes, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.75 / 2.10
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 100.955, 100.955, 63.485, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 26.4

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound (pdb code 2bcd). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound, PDB code: 2bcd:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 1 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn400

b:13.0
occ:1.00
 OD1 A:ASN124 1.9 13.7 1.0
OD2 A:ASP92 2.0 13.7 1.0
NE2 A:HIS173 2.0 10.5 1.0
ND1 A:HIS248 2.1 12.2 1.0
CE1 A:HIS248 2.9 13.2 1.0
CG A:ASP92 3.0 11.0 1.0
CE1 A:HIS173 3.0 9.9 1.0
CD2 A:HIS173 3.1 10.6 1.0
CG A:ASN124 3.1 10.9 1.0
CG A:HIS248 3.2 12.9 1.0
MN A:MN401 3.3 20.9 1.0
OD1 A:ASP92 3.3 13.4 1.0
O A:HOH608 3.5 13.1 1.0
CA A:HIS248 3.6 14.8 1.0
ND2 A:ASN124 3.7 12.9 1.0
CB A:HIS248 3.7 14.5 1.0
OD2 A:ASP64 3.9 13.1 1.0
O A:HIS248 4.0 17.1 1.0
NE2 A:HIS248 4.1 11.4 1.0
ND1 A:HIS173 4.1 8.2 1.0
CG A:HIS173 4.2 9.9 1.0
CD2 A:HIS125 4.2 11.5 1.0
CD2 A:HIS248 4.3 11.9 1.0
CB A:ASN124 4.3 10.0 1.0
C A:HIS248 4.3 16.4 1.0
CB A:ASP92 4.4 11.6 1.0
N A:ASN124 4.4 9.5 1.0
N A:HIS248 4.6 14.9 1.0
O A:LEU205 4.7 11.6 1.0
CG A:ASP64 4.8 14.9 1.0
O A:HOH638 4.8 16.8 1.0
NE2 A:HIS125 4.8 12.8 1.0
CA A:ASN124 4.9 10.1 1.0
OD1 A:ASP64 4.9 13.2 1.0
NE2 A:HIS66 5.0 13.6 1.0

Manganese binding site 2 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 2 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:20.9
occ:1.00
 OD2 A:ASP64 1.9 13.1 1.0
OD2 A:ASP92 2.0 13.7 1.0
NE2 A:HIS66 2.1 13.6 1.0
O A:HOH638 2.1 16.8 1.0
CG A:ASP92 3.0 11.0 1.0
CE1 A:HIS66 3.0 14.4 1.0
CD2 A:HIS66 3.1 12.2 1.0
CG A:ASP64 3.1 14.9 1.0
MN A:MN400 3.3 13.0 1.0
CB A:ASP92 3.5 11.6 1.0
CB A:ASP64 3.9 14.8 1.0
OD1 A:ASP64 4.1 13.2 1.0
O A:HOH608 4.1 13.1 1.0
OD1 A:ASP92 4.1 13.4 1.0
ND1 A:HIS66 4.2 13.8 1.0
O A:HIS248 4.2 17.1 1.0
CG A:HIS66 4.2 13.9 1.0
CD2 A:HIS125 4.2 11.5 1.0
CE1 A:PHE267 4.4 14.5 1.0
NE2 A:HIS125 4.5 12.8 1.0
CA A:HIS248 4.5 14.8 1.0
NE2 A:HIS173 4.5 10.5 1.0
CE1 A:HIS173 4.5 9.9 1.0
OH A:TYR272 4.6 21.6 1.0
C A:HIS248 4.6 16.4 1.0
OD1 A:ASN124 4.7 13.7 1.0
ND1 A:HIS248 4.8 12.2 1.0
O A:HOH673 4.8 34.4 1.0
O B:FGA4 4.9 28.1 1.0
CZ A:PHE267 4.9 16.7 1.0

Manganese binding site 3 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 3 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:53.2
occ:1.00
 N A:ILE146 3.6 19.4 1.0
CB A:ASN145 3.8 20.2 1.0
CB A:ILE146 4.1 20.4 1.0
N A:LYS147 4.1 20.0 1.0
CA A:ILE146 4.2 20.5 1.0
C A:ASN145 4.5 19.7 1.0
CA A:ASN145 4.6 19.8 1.0
C A:ILE146 4.6 20.2 1.0
CG A:ASN145 4.7 19.9 1.0
OD1 A:ASN145 4.8 22.8 1.0
CG1 A:ILE146 4.8 20.2 1.0
CB A:LYS147 4.9 20.8 1.0

Manganese binding site 4 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 4 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn403

b:68.4
occ:0.50
 O A:HOH668 3.5 37.0 1.0
CB A:SER22 3.8 38.1 1.0
OG A:SER22 3.9 38.6 1.0
CA A:SER22 3.9 37.8 1.0
N A:LYS23 4.0 36.7 1.0
NZ A:LYS26 4.3 38.5 1.0
C A:SER22 4.5 37.0 1.0
CD A:LYS26 4.6 33.6 1.0
CB A:LYS23 4.9 36.5 1.0

Manganese binding site 5 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 5 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn404

b:75.3
occ:1.00
 N A:MET183 3.4 33.6 1.0
O A:HOH671 3.6 58.4 1.0
CB A:MET183 3.6 34.1 1.0
CA A:MET183 4.0 34.3 1.0
N A:GLU184 4.1 35.7 1.0
CB A:SER182 4.1 32.9 1.0
CG A:MET183 4.1 34.0 1.0
C A:SER182 4.4 33.1 1.0
NH1 A:ARG187 4.4 41.2 1.0
C A:MET183 4.5 35.3 1.0
CA A:SER182 4.5 32.7 1.0
OG A:SER182 4.7 31.7 1.0

Manganese binding site 6 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 6 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn405

b:54.9
occ:1.00
 N A:LYS260 3.6 21.2 1.0
N A:ALA259 3.6 21.3 1.0
O A:HOH633 3.9 23.4 1.0
CA A:ALA259 4.0 21.7 1.0
NZ A:LYS260 4.3 22.8 1.0
NZ A:LYS211 4.3 38.7 1.0
C A:ALA259 4.3 21.2 1.0
C A:PHE258 4.5 22.5 1.0
CA A:LYS260 4.6 20.8 1.0
CA A:PHE258 4.8 23.7 1.0
CG A:LYS260 4.9 21.8 1.0
CD A:LYS260 4.9 24.9 1.0
CG A:LYS211 4.9 35.1 1.0

Manganese binding site 7 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 7 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn406

b:72.2
occ:1.00
 NE A:ARG261 3.8 30.3 1.0
O A:HOH633 4.0 23.4 1.0
NH2 A:ARG261 4.2 32.6 1.0
CB A:PHE257 4.3 24.2 1.0
CG A:ARG261 4.5 24.5 1.0
CZ A:ARG261 4.5 34.6 1.0
CD A:ARG261 4.7 27.0 1.0

Manganese binding site 8 out of 8 in 2bcd

Go back to Manganese Binding Sites List in 2bcd
Manganese binding site 8 out of 8 in the X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of X-Ray Crystal Structure of Protein Phosphatase-1 with the Marine Toxin Motuporin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn407

b:87.1
occ:1.00
 N A:GLU252 3.9 26.0 1.0
CA A:GLU252 4.0 27.4 1.0
CD2 A:PHE276 4.1 41.4 1.0
CB A:GLU252 4.2 27.7 1.0
C A:VAL251 4.3 24.6 1.0
O A:HOH644 4.4 25.6 1.0
CG A:GLU252 4.5 29.7 1.0
CB A:ASN278 4.6 30.3 1.0
CE2 A:PHE276 4.6 41.1 1.0
CA A:VAL251 4.7 23.7 1.0
O A:VAL250 4.7 20.4 1.0
CG1 A:VAL250 4.8 21.6 1.0
CG A:PHE276 4.9 41.0 1.0
C A:VAL250 4.9 21.3 1.0
N A:VAL251 5.0 22.3 1.0
O A:VAL251 5.0 24.4 1.0

Reference:

J.T.Maynes, H.A.Luu, M.M.Cherney, R.J.Andersen, D.Williams, C.F.Holmes, M.N.James. Crystal Structures of Protein Phosphatase-1 Bound to Motuporin and Dihydromicrocystin-La: Elucidation of the Mechanism of Enzyme Inhibition By Cyanobacterial Toxins. J.Mol.Biol. V. 356 111 2006.
ISSN: ISSN 0022-2836
PubMed: 16343532
DOI: 10.1016/J.JMB.2005.11.019
Page generated: Sat Oct 5 13:32:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy