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Manganese in PDB 1atp: 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor

Enzymatic activity of 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor

All present enzymatic activity of 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor:
2.7.1.37;

Protein crystallography data

The structure of 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor, PDB code: 1atp was solved by J.Zheng, E.A.Trafny, D.R.Knighton, N.-H.Xuong, S.S.Taylor, L.F.Teneyck, J.M.Sowadski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.580, 76.280, 80.580, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Manganese Binding Sites:

The binding sites of Manganese atom in the 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor (pdb code 1atp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor, PDB code: 1atp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1atp

Go back to Manganese Binding Sites List in 1atp
Manganese binding site 1 out of 2 in the 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn351

b:23.7
occ:1.00
O E:HOH477 1.8 10.9 1.0
O3G E:ATP355 2.0 6.6 1.0
O E:HOH447 2.2 23.2 1.0
O1B E:ATP355 2.2 13.1 1.0
OD2 E:ASP184 2.2 11.9 1.0
OD1 E:ASP184 2.4 11.0 1.0
CG E:ASP184 2.6 18.2 1.0
PG E:ATP355 3.1 18.1 1.0
PB E:ATP355 3.3 23.0 1.0
O3B E:ATP355 3.3 13.8 1.0
O2G E:ATP355 3.7 15.6 1.0
OD2 E:ASP166 3.9 38.4 1.0
MN E:MN352 4.0 21.0 1.0
CB E:ASP184 4.0 34.3 1.0
CD2 E:PHE54 4.1 34.9 1.0
O2B E:ATP355 4.2 19.6 1.0
CE2 E:PHE54 4.3 24.1 1.0
CA E:GLY186 4.3 17.3 1.0
NZ E:LYS72 4.3 21.0 1.0
O1G E:ATP355 4.3 17.9 1.0
O3A E:ATP355 4.4 21.7 1.0
O2A E:ATP355 4.5 25.0 1.0
N E:GLY186 4.5 24.5 1.0
O1A E:ATP355 4.6 13.5 1.0
O E:HOH597 4.6 29.7 1.0
CE1 E:PHE187 4.6 19.7 1.0
CB I:ALA21 4.6 17.5 1.0
PA E:ATP355 4.7 19.5 1.0
CZ E:PHE187 4.8 10.4 1.0
CA E:ASP184 4.9 13.6 1.0
CD1 E:PHE187 5.0 19.8 1.0

Manganese binding site 2 out of 2 in 1atp

Go back to Manganese Binding Sites List in 1atp
Manganese binding site 2 out of 2 in the 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 2.2 Angstrom Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn352

b:21.0
occ:1.00
O2A E:ATP355 2.0 25.0 1.0
O E:HOH635 2.1 10.4 1.0
OD1 E:ASN171 2.1 22.9 1.0
OD2 E:ASP184 2.1 11.9 1.0
O2G E:ATP355 2.2 15.6 1.0
O3B E:ATP355 3.0 13.8 1.0
PG E:ATP355 3.1 18.1 1.0
CG E:ASN171 3.2 11.2 1.0
CG E:ASP184 3.2 18.2 1.0
PA E:ATP355 3.4 19.5 1.0
CB E:ASP184 3.5 34.3 1.0
ND2 E:ASN171 3.7 16.6 1.0
O3G E:ATP355 3.7 6.6 1.0
CE E:LYS168 3.8 18.7 1.0
NZ E:LYS168 3.8 26.5 1.0
O3A E:ATP355 3.9 21.7 1.0
PB E:ATP355 4.0 23.0 1.0
MN E:MN351 4.0 23.7 1.0
O1B E:ATP355 4.0 13.1 1.0
O1A E:ATP355 4.1 13.5 1.0
OD1 E:ASP184 4.3 11.0 1.0
O3' E:ATP355 4.3 33.8 1.0
O1G E:ATP355 4.3 17.9 1.0
OD2 E:ASP166 4.4 38.4 1.0
C5' E:ATP355 4.4 58.5 1.0
O5' E:ATP355 4.5 14.9 1.0
CB E:ASN171 4.5 17.1 1.0
O I:HOH459 4.5 30.1 1.0
CA E:ASN171 4.8 20.4 1.0
C3' E:ATP355 4.8 9.3 1.0
O E:GLU170 4.9 11.3 1.0
O E:HOH447 4.9 23.2 1.0
CA E:ASP184 4.9 13.6 1.0

Reference:

J.Zheng, E.A.Trafny, D.R.Knighton, N.H.Xuong, S.S.Taylor, L.F.Ten Eyck, J.M.Sowadski. 2.2 A Refined Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Complexed with Mnatp and A Peptide Inhibitor. Acta Crystallogr.,Sect.D V. 49 362 1993.
ISSN: ISSN 0907-4449
PubMed: 15299527
DOI: 10.1107/S0907444993000423
Page generated: Tue Dec 15 03:46:12 2020

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