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Magnesium in PDB 3lmi: Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp

Enzymatic activity of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp

All present enzymatic activity of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp:
2.7.11.7;

Protein crystallography data

The structure of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp, PDB code: 3lmi was solved by Q.Ye, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.17 / 2.20
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 81.192, 81.192, 187.561, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 26.9

Other elements in 3lmi:

The structure of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp (pdb code 3lmi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp, PDB code: 3lmi:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3lmi

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Magnesium binding site 1 out of 4 in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1006

b:21.5
occ:1.00
 O2A A:ATP1760 2.3 25.7 1.0
O1G A:ATP1760 2.5 42.9 1.0
OE1 A:GLN758 2.6 11.4 1.0
O3' A:ATP1760 2.8 19.5 1.0
O3B A:ATP1760 2.9 40.0 1.0
PG A:ATP1760 3.4 42.8 1.0
C3' A:ATP1760 3.5 19.1 1.0
CD A:GLN758 3.6 12.7 1.0
PA A:ATP1760 3.7 23.6 1.0
NE2 A:GLN758 3.9 12.4 1.0
C5' A:ATP1760 4.1 20.7 1.0
NZ A:LYS722 4.2 23.9 1.0
O A:HOH473 4.2 28.7 1.0
O3A A:ATP1760 4.2 31.1 1.0
PB A:ATP1760 4.3 38.6 1.0
O5' A:ATP1760 4.3 23.1 1.0
C4' A:ATP1760 4.3 19.2 1.0
O2G A:ATP1760 4.3 42.8 1.0
O3G A:ATP1760 4.5 43.6 1.0
CE2 A:PHE720 4.7 12.3 1.0
C2' A:ATP1760 4.8 18.8 1.0
CZ A:PHE720 4.9 13.2 1.0
CG A:GLN758 4.9 11.7 1.0
O1A A:ATP1760 4.9 24.9 1.0

Magnesium binding site 2 out of 4 in 3lmi

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Magnesium binding site 2 out of 4 in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1005

b:22.9
occ:1.00
 O3' B:ATP1761 2.6 17.6 1.0
OE1 B:GLN758 2.6 9.2 1.0
O1G B:ATP1761 2.6 42.4 1.0
O3A B:ATP1761 3.0 36.2 1.0
O3B B:ATP1761 3.4 41.6 1.0
C3' B:ATP1761 3.4 16.9 1.0
CD B:GLN758 3.5 10.4 1.0
PG B:ATP1761 3.6 42.3 1.0
NE2 B:GLN758 3.8 9.8 1.0
PB B:ATP1761 3.9 40.0 1.0
O5' B:ATP1761 4.0 26.9 1.0
C5' B:ATP1761 4.0 20.9 1.0
PA B:ATP1761 4.1 30.1 1.0
C4' B:ATP1761 4.2 17.9 1.0
CE B:LYS722 4.2 18.7 1.0
CE2 B:PHE720 4.4 13.6 1.0
NZ B:LYS722 4.4 21.2 1.0
O3G B:ATP1761 4.5 43.6 1.0
C2' B:ATP1761 4.7 16.1 1.0
O2G B:ATP1761 4.8 42.7 1.0
CZ B:PHE720 4.8 12.5 1.0
O1B B:ATP1761 4.8 41.0 1.0
O2A B:ATP1761 4.9 28.9 1.0
CG B:GLN758 4.9 7.9 1.0
O2B B:ATP1761 4.9 41.7 1.0

Magnesium binding site 3 out of 4 in 3lmi

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Magnesium binding site 3 out of 4 in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1007

b:24.2
occ:1.00
 O1G C:ATP1762 2.4 41.8 1.0
OE1 C:GLN758 2.6 11.7 1.0
O3' C:ATP1762 2.7 17.7 1.0
O3A C:ATP1762 2.8 31.7 1.0
O3B C:ATP1762 3.4 39.9 1.0
C3' C:ATP1762 3.5 16.8 1.0
CD C:GLN758 3.5 12.6 1.0
PG C:ATP1762 3.6 41.2 1.0
PB C:ATP1762 3.8 36.6 1.0
NE2 C:GLN758 3.8 11.7 1.0
CE C:LYS722 3.9 20.7 1.0
O5' C:ATP1762 4.0 22.2 1.0
PA C:ATP1762 4.0 23.6 1.0
NZ C:LYS722 4.1 20.9 1.0
C5' C:ATP1762 4.1 19.0 1.0
C4' C:ATP1762 4.3 17.3 1.0
O C:HOH277 4.3 24.6 1.0
O3G C:ATP1762 4.4 42.3 1.0
O1B C:ATP1762 4.5 37.9 1.0
CE2 C:PHE720 4.6 13.4 1.0
O2G C:ATP1762 4.7 41.4 1.0
O C:HOH475 4.8 62.2 1.0
O2A C:ATP1762 4.8 23.9 1.0
C2' C:ATP1762 4.8 16.6 1.0
CZ C:PHE720 4.9 13.9 1.0
CG C:GLN758 4.9 10.7 1.0
O2B C:ATP1762 4.9 39.0 1.0
O1A C:ATP1762 4.9 25.1 1.0

Magnesium binding site 4 out of 4 in 3lmi

Go back to Magnesium Binding Sites List in 3lmi
Magnesium binding site 4 out of 4 in the Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Inactive Alpha-Kinase Domain of Myosin Heavy Chain Kinase A (D766A) Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1008

b:22.0
occ:1.00
 OE1 D:GLN758 2.7 10.0 1.0
O1G D:ATP1763 2.7 43.8 1.0
O3A D:ATP1763 2.7 34.3 1.0
O3' D:ATP1763 2.8 17.5 1.0
O3B D:ATP1763 3.0 42.7 1.0
C3' D:ATP1763 3.5 17.2 1.0
PB D:ATP1763 3.5 40.0 1.0
PG D:ATP1763 3.5 43.3 1.0
CD D:GLN758 3.6 11.3 1.0
NE2 D:GLN758 3.8 9.4 1.0
PA D:ATP1763 4.0 24.9 1.0
O1B D:ATP1763 4.0 42.3 1.0
O5' D:ATP1763 4.1 26.0 1.0
CE D:LYS722 4.2 19.3 1.0
C5' D:ATP1763 4.2 21.1 1.0
NZ D:LYS722 4.2 22.7 1.0
C4' D:ATP1763 4.3 17.9 1.0
CE2 D:PHE720 4.5 16.4 1.0
O2G D:ATP1763 4.5 43.6 1.0
O3G D:ATP1763 4.5 44.3 1.0
C2' D:ATP1763 4.7 16.1 1.0
O2B D:ATP1763 4.8 41.2 1.0
CZ D:PHE720 4.9 16.5 1.0
O1A D:ATP1763 4.9 29.7 1.0
O2A D:ATP1763 4.9 24.7 1.0
CG D:GLN758 4.9 8.4 1.0

Reference:

Q.Ye, S.W.Crawley, Y.Yang, G.P.Cote, Z.Jia. Crystal Structure of the {Alpha}-Kinase Domain of Dictyostelium Myosin Heavy Chain Kinase A. Sci.Signal. V. 3 RA17 2010.
ISSN: ESSN 1937-9145
PubMed: 20197546
DOI: 10.1126/SCISIGNAL.2000525
Page generated: Wed Aug 14 18:34:47 2024

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