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Zinc 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:

Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 3lmi

Go back to Zinc Binding Sites List in 3lmi
Zinc 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 Zinc with other atoms in the Zn 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:Zn1001

b:17.2
occ:1.00
 SG A:CYS800 2.1 18.4 1.0
ND1 A:HIS742 2.1 12.8 1.0
NE2 A:HIS794 2.1 16.9 1.0
CB A:CYS796 2.8 27.6 1.0
CE1 A:HIS742 3.0 14.0 1.0
CE1 A:HIS794 3.1 17.5 1.0
CD2 A:HIS794 3.2 18.3 1.0
CB A:CYS800 3.2 20.9 1.0
CG A:HIS742 3.2 13.1 1.0
CA A:CYS796 3.3 27.2 1.0
CB A:HIS742 3.6 12.1 1.0
N A:CYS796 4.0 26.2 1.0
NE2 A:HIS742 4.1 15.2 1.0
ND1 A:HIS794 4.2 17.4 1.0
CD2 A:HIS742 4.3 13.8 1.0
CG A:HIS794 4.3 20.3 1.0
SG A:CYS796 4.5 35.9 1.0
CA A:CYS800 4.5 21.0 1.0
C A:CYS796 4.6 25.8 1.0
N A:ASN797 4.7 24.4 1.0
C A:LYS795 4.7 26.0 1.0
CD1 A:LEU805 4.7 26.6 1.0
O A:HOH432 4.8 31.8 1.0
O A:LYS795 4.9 26.1 1.0

Zinc binding site 2 out of 4 in 3lmi

Go back to Zinc Binding Sites List in 3lmi
Zinc 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 Zinc with other atoms in the Zn 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:Zn1002

b:13.3
occ:1.00
 NE2 B:HIS794 2.1 9.2 1.0
ND1 B:HIS742 2.1 11.2 1.0
SG B:CYS800 2.3 15.1 1.0
SG B:CYS796 2.5 15.9 1.0
CE1 B:HIS742 3.0 12.2 1.0
CE1 B:HIS794 3.1 11.4 1.0
CD2 B:HIS794 3.1 10.4 1.0
CG B:HIS742 3.2 10.0 1.0
CB B:CYS800 3.3 17.0 1.0
CB B:CYS796 3.4 16.5 1.0
CA B:CYS796 3.5 16.5 1.0
CB B:HIS742 3.6 8.9 1.0
NE2 B:HIS742 4.2 11.8 1.0
ND1 B:HIS794 4.2 11.7 1.0
N B:CYS796 4.3 16.0 1.0
CG B:HIS794 4.3 12.6 1.0
O B:HOH339 4.3 27.3 1.0
CD2 B:HIS742 4.3 10.8 1.0
CA B:CYS800 4.6 17.5 1.0
C B:CYS796 4.7 17.0 1.0
N B:ASN797 4.7 17.1 1.0
CD1 B:LEU805 4.9 23.6 1.0
C B:LYS795 4.9 15.7 1.0
CB B:LEU805 4.9 28.1 1.0

Zinc binding site 3 out of 4 in 3lmi

Go back to Zinc Binding Sites List in 3lmi
Zinc 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 Zinc with other atoms in the Zn 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:Zn1003

b:18.4
occ:1.00
 NE2 C:HIS794 2.1 15.4 1.0
SG C:CYS800 2.2 17.3 1.0
ND1 C:HIS742 2.2 11.6 1.0
CB C:CYS796 2.8 26.8 1.0
CE1 C:HIS794 3.0 17.1 1.0
CE1 C:HIS742 3.1 12.4 1.0
CB C:CYS800 3.2 19.9 1.0
CD2 C:HIS794 3.2 18.3 1.0
CA C:CYS796 3.3 26.0 1.0
CG C:HIS742 3.3 11.8 1.0
CB C:HIS742 3.7 10.1 1.0
N C:CYS796 4.0 25.2 1.0
ND1 C:HIS794 4.1 17.1 1.0
NE2 C:HIS742 4.3 12.5 1.0
SG C:CYS796 4.3 35.9 1.0
CG C:HIS794 4.3 19.8 1.0
CD2 C:HIS742 4.4 13.0 1.0
O C:HOH847 4.5 46.6 1.0
CA C:CYS800 4.5 20.2 1.0
C C:CYS796 4.5 24.6 1.0
N C:ASN797 4.6 23.4 1.0
CD1 C:LEU805 4.7 26.1 1.0
C C:LYS795 4.8 24.8 1.0

Zinc binding site 4 out of 4 in 3lmi

Go back to Zinc Binding Sites List in 3lmi
Zinc 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 Zinc with other atoms in the Zn 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:Zn1004

b:14.2
occ:1.00
 NE2 D:HIS794 2.1 12.0 1.0
ND1 D:HIS742 2.1 10.3 1.0
SG D:CYS800 2.3 17.7 1.0
SG D:CYS796 2.4 16.2 1.0
CE1 D:HIS742 3.0 12.3 1.0
CD2 D:HIS794 3.1 12.1 1.0
CE1 D:HIS794 3.1 12.6 1.0
CG D:HIS742 3.2 10.6 1.0
CB D:CYS800 3.2 19.4 1.0
CB D:CYS796 3.4 16.1 1.0
CA D:CYS796 3.6 16.3 1.0
CB D:HIS742 3.6 9.4 1.0
NE2 D:HIS742 4.2 12.3 1.0
ND1 D:HIS794 4.2 11.9 1.0
CG D:HIS794 4.2 13.5 1.0
CD2 D:HIS742 4.3 11.3 1.0
N D:CYS796 4.3 15.5 1.0
CA D:CYS800 4.6 19.8 1.0
N D:ASN797 4.7 16.8 1.0
C D:CYS796 4.7 16.7 1.0
CD1 D:LEU805 4.8 27.2 1.0
C D:LYS795 4.9 15.3 1.0
O D:LYS795 5.0 15.1 1.0
CB D:LEU805 5.0 30.4 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: Sat Oct 26 08:43:39 2024

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