Zinc in PDB 5e4h: Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
Enzymatic activity of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
All present enzymatic activity of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A:
2.7.11.7;
Protein crystallography data
The structure of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A, PDB code: 5e4h
was solved by
Q.Ye,
G.P.Cote,
Z.Jia,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.00 /
2.90
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
83.298,
103.469,
167.811,
90.00,
89.99,
90.00
|
R / Rfree (%)
|
24.1 /
26.8
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
(pdb code 5e4h). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A, PDB code: 5e4h:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 1 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
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 Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn901
b:76.2
occ:1.00
|
SG
|
A:CYS796
|
2.0
|
62.9
|
1.0
|
SG
|
A:CYS800
|
2.1
|
64.9
|
1.0
|
ND1
|
A:HIS742
|
2.2
|
69.0
|
1.0
|
NE2
|
A:HIS794
|
2.2
|
77.4
|
1.0
|
CE1
|
A:HIS742
|
2.9
|
68.1
|
1.0
|
CE1
|
A:HIS794
|
3.1
|
78.8
|
1.0
|
CG
|
A:HIS742
|
3.1
|
67.2
|
1.0
|
CD2
|
A:HIS794
|
3.2
|
80.1
|
1.0
|
CB
|
A:CYS800
|
3.3
|
76.5
|
1.0
|
CB
|
A:CYS796
|
3.3
|
63.2
|
1.0
|
CA
|
A:CYS796
|
3.5
|
66.3
|
1.0
|
CB
|
A:HIS742
|
3.6
|
62.3
|
1.0
|
NE2
|
A:HIS742
|
3.9
|
70.0
|
1.0
|
CD2
|
A:HIS742
|
4.0
|
70.0
|
1.0
|
ND1
|
A:HIS794
|
4.2
|
77.3
|
1.0
|
N
|
A:CYS796
|
4.2
|
66.3
|
1.0
|
CG
|
A:HIS794
|
4.3
|
77.2
|
1.0
|
CA
|
A:CYS800
|
4.6
|
78.5
|
1.0
|
N
|
A:ASN797
|
4.7
|
70.3
|
1.0
|
C
|
A:CYS796
|
4.7
|
69.2
|
1.0
|
C
|
A:LYS795
|
4.9
|
67.7
|
1.0
|
CD1
|
A:LEU805
|
4.9
|
87.9
|
1.0
|
O
|
A:LYS795
|
4.9
|
70.9
|
1.0
|
|
Zinc binding site 2 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 2 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
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 Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn901
b:81.7
occ:1.00
|
SG
|
B:CYS800
|
2.0
|
59.9
|
1.0
|
ND1
|
B:HIS742
|
2.0
|
79.9
|
1.0
|
SG
|
B:CYS796
|
2.2
|
67.6
|
1.0
|
NE2
|
B:HIS794
|
2.2
|
63.8
|
1.0
|
CE1
|
B:HIS742
|
2.9
|
78.5
|
1.0
|
CG
|
B:HIS742
|
3.0
|
74.5
|
1.0
|
CE1
|
B:HIS794
|
3.1
|
65.8
|
1.0
|
CD2
|
B:HIS794
|
3.3
|
63.0
|
1.0
|
CB
|
B:CYS800
|
3.3
|
66.4
|
1.0
|
CB
|
B:HIS742
|
3.4
|
70.2
|
1.0
|
CB
|
B:CYS796
|
3.5
|
66.5
|
1.0
|
CA
|
B:CYS796
|
3.6
|
66.5
|
1.0
|
NE2
|
B:HIS742
|
3.9
|
74.3
|
1.0
|
CD2
|
B:HIS742
|
3.9
|
73.7
|
1.0
|
ND1
|
B:HIS794
|
4.2
|
65.9
|
1.0
|
CG
|
B:HIS794
|
4.3
|
63.6
|
1.0
|
N
|
B:CYS796
|
4.4
|
70.6
|
1.0
|
CA
|
B:CYS800
|
4.5
|
68.9
|
1.0
|
CD1
|
B:LEU805
|
4.7
|
80.7
|
1.0
|
N
|
B:ASN797
|
4.7
|
60.4
|
1.0
|
C
|
B:CYS796
|
4.8
|
65.5
|
1.0
|
C
|
B:LYS795
|
4.9
|
69.0
|
1.0
|
CA
|
B:HIS742
|
4.9
|
68.5
|
1.0
|
O
|
B:LYS795
|
5.0
|
67.3
|
1.0
|
CB
|
B:LEU805
|
5.0
|
83.5
|
1.0
|
|
Zinc binding site 3 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 3 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
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 Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn901
b:64.0
occ:1.00
|
ND1
|
C:HIS742
|
2.0
|
78.5
|
1.0
|
SG
|
C:CYS800
|
2.1
|
58.3
|
1.0
|
SG
|
C:CYS796
|
2.1
|
61.4
|
1.0
|
NE2
|
C:HIS794
|
2.3
|
59.7
|
1.0
|
CE1
|
C:HIS742
|
2.8
|
77.5
|
1.0
|
CG
|
C:HIS742
|
3.0
|
75.1
|
1.0
|
CE1
|
C:HIS794
|
3.2
|
62.2
|
1.0
|
CB
|
C:CYS800
|
3.2
|
60.8
|
1.0
|
CD2
|
C:HIS794
|
3.3
|
57.9
|
1.0
|
CB
|
C:CYS796
|
3.4
|
61.4
|
1.0
|
CB
|
C:HIS742
|
3.5
|
70.8
|
1.0
|
CA
|
C:CYS796
|
3.6
|
61.6
|
1.0
|
NE2
|
C:HIS742
|
3.8
|
76.3
|
1.0
|
CD2
|
C:HIS742
|
3.9
|
74.5
|
1.0
|
ND1
|
C:HIS794
|
4.3
|
61.9
|
1.0
|
N
|
C:CYS796
|
4.3
|
65.4
|
1.0
|
CG
|
C:HIS794
|
4.4
|
58.7
|
1.0
|
CA
|
C:CYS800
|
4.4
|
64.6
|
1.0
|
CD1
|
C:LEU805
|
4.7
|
77.5
|
1.0
|
N
|
C:ASN797
|
4.7
|
57.1
|
1.0
|
C
|
C:CYS796
|
4.8
|
60.7
|
1.0
|
CB
|
C:LEU805
|
4.9
|
84.3
|
1.0
|
C
|
C:LYS795
|
4.9
|
66.4
|
1.0
|
|
Zinc binding site 4 out
of 8 in 5e4h
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Zinc Binding Sites List in 5e4h
Zinc binding site 4 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
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 Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn901
b:72.2
occ:1.00
|
SG
|
D:CYS800
|
2.0
|
67.5
|
1.0
|
SG
|
D:CYS796
|
2.1
|
69.8
|
1.0
|
CD2
|
D:HIS742
|
2.4
|
76.2
|
1.0
|
NE2
|
D:HIS794
|
2.4
|
66.8
|
1.0
|
CG
|
D:HIS742
|
3.0
|
72.4
|
1.0
|
NE2
|
D:HIS742
|
3.0
|
75.6
|
1.0
|
CB
|
D:CYS800
|
3.1
|
73.8
|
1.0
|
CE1
|
D:HIS794
|
3.2
|
67.4
|
1.0
|
CB
|
D:CYS796
|
3.4
|
69.7
|
1.0
|
CD2
|
D:HIS794
|
3.4
|
70.6
|
1.0
|
CA
|
D:CYS796
|
3.6
|
69.6
|
1.0
|
CB
|
D:HIS742
|
3.6
|
65.6
|
1.0
|
ND1
|
D:HIS742
|
3.8
|
71.1
|
1.0
|
CE1
|
D:HIS742
|
3.8
|
73.3
|
1.0
|
ND1
|
D:HIS794
|
4.3
|
69.1
|
1.0
|
N
|
D:CYS796
|
4.3
|
70.2
|
1.0
|
CA
|
D:CYS800
|
4.4
|
75.4
|
1.0
|
CG
|
D:HIS794
|
4.4
|
68.1
|
1.0
|
N
|
D:ASN797
|
4.6
|
67.1
|
1.0
|
CD1
|
D:LEU805
|
4.7
|
86.4
|
1.0
|
C
|
D:CYS796
|
4.7
|
68.0
|
1.0
|
CB
|
D:LEU805
|
4.9
|
88.3
|
1.0
|
C
|
D:LYS795
|
5.0
|
68.5
|
1.0
|
O
|
D:LYS795
|
5.0
|
72.8
|
1.0
|
|
Zinc binding site 5 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 5 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn901
b:77.7
occ:1.00
|
SG
|
E:CYS800
|
2.0
|
58.2
|
1.0
|
ND1
|
E:HIS742
|
2.1
|
71.8
|
1.0
|
SG
|
E:CYS796
|
2.1
|
65.1
|
1.0
|
NE2
|
E:HIS794
|
2.3
|
61.4
|
1.0
|
CE1
|
E:HIS742
|
2.8
|
70.6
|
1.0
|
CG
|
E:HIS742
|
3.0
|
67.7
|
1.0
|
CE1
|
E:HIS794
|
3.1
|
61.5
|
1.0
|
CB
|
E:CYS800
|
3.2
|
62.6
|
1.0
|
CD2
|
E:HIS794
|
3.3
|
61.3
|
1.0
|
CB
|
E:CYS796
|
3.4
|
63.8
|
1.0
|
CB
|
E:HIS742
|
3.5
|
66.1
|
1.0
|
CA
|
E:CYS796
|
3.6
|
63.6
|
1.0
|
NE2
|
E:HIS742
|
3.9
|
65.6
|
1.0
|
CD2
|
E:HIS742
|
4.0
|
65.7
|
1.0
|
ND1
|
E:HIS794
|
4.3
|
63.0
|
1.0
|
N
|
E:CYS796
|
4.3
|
67.2
|
1.0
|
CG
|
E:HIS794
|
4.4
|
61.0
|
1.0
|
CA
|
E:CYS800
|
4.5
|
65.0
|
1.0
|
CD1
|
E:LEU805
|
4.7
|
76.4
|
1.0
|
N
|
E:ASN797
|
4.7
|
58.2
|
1.0
|
C
|
E:CYS796
|
4.7
|
63.6
|
1.0
|
C
|
E:LYS795
|
4.9
|
69.4
|
1.0
|
CB
|
E:LEU805
|
5.0
|
84.7
|
1.0
|
O
|
E:LYS795
|
5.0
|
71.5
|
1.0
|
|
Zinc binding site 6 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 6 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn901
b:72.0
occ:1.00
|
SG
|
F:CYS800
|
2.0
|
63.2
|
1.0
|
SG
|
F:CYS796
|
2.0
|
66.7
|
1.0
|
NE2
|
F:HIS794
|
2.2
|
68.4
|
1.0
|
ND1
|
F:HIS742
|
2.3
|
69.3
|
1.0
|
CE1
|
F:HIS742
|
3.0
|
68.8
|
1.0
|
CE1
|
F:HIS794
|
3.1
|
68.4
|
1.0
|
CG
|
F:HIS742
|
3.2
|
67.9
|
1.0
|
CD2
|
F:HIS794
|
3.2
|
71.7
|
1.0
|
CB
|
F:CYS800
|
3.2
|
68.4
|
1.0
|
CB
|
F:CYS796
|
3.3
|
69.4
|
1.0
|
CA
|
F:CYS796
|
3.4
|
68.8
|
1.0
|
CB
|
F:HIS742
|
3.7
|
61.4
|
1.0
|
NE2
|
F:HIS742
|
4.0
|
70.4
|
1.0
|
CD2
|
F:HIS742
|
4.1
|
70.2
|
1.0
|
N
|
F:CYS796
|
4.1
|
68.1
|
1.0
|
ND1
|
F:HIS794
|
4.2
|
68.3
|
1.0
|
CG
|
F:HIS794
|
4.3
|
68.1
|
1.0
|
CA
|
F:CYS800
|
4.5
|
70.6
|
1.0
|
N
|
F:ASN797
|
4.6
|
67.4
|
1.0
|
C
|
F:CYS796
|
4.6
|
68.3
|
1.0
|
C
|
F:LYS795
|
4.7
|
71.4
|
1.0
|
O
|
F:LYS795
|
4.8
|
77.3
|
1.0
|
CD1
|
F:LEU805
|
4.9
|
77.7
|
1.0
|
|
Zinc binding site 7 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 7 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Zn901
b:77.9
occ:1.00
|
SG
|
G:CYS796
|
2.0
|
69.8
|
1.0
|
SG
|
G:CYS800
|
2.1
|
62.7
|
1.0
|
ND1
|
G:HIS742
|
2.2
|
71.1
|
1.0
|
NE2
|
G:HIS794
|
2.2
|
73.5
|
1.0
|
CE1
|
G:HIS742
|
2.9
|
71.8
|
1.0
|
CE1
|
G:HIS794
|
3.1
|
74.6
|
1.0
|
CG
|
G:HIS742
|
3.1
|
69.8
|
1.0
|
CD2
|
G:HIS794
|
3.2
|
76.1
|
1.0
|
CB
|
G:CYS800
|
3.2
|
74.0
|
1.0
|
CB
|
G:CYS796
|
3.3
|
69.7
|
1.0
|
CA
|
G:CYS796
|
3.5
|
71.6
|
1.0
|
CB
|
G:HIS742
|
3.6
|
63.3
|
1.0
|
NE2
|
G:HIS742
|
3.9
|
74.1
|
1.0
|
CD2
|
G:HIS742
|
4.1
|
73.4
|
1.0
|
N
|
G:CYS796
|
4.2
|
74.0
|
1.0
|
ND1
|
G:HIS794
|
4.2
|
74.6
|
1.0
|
CG
|
G:HIS794
|
4.3
|
73.1
|
1.0
|
CA
|
G:CYS800
|
4.5
|
74.0
|
1.0
|
N
|
G:ASN797
|
4.6
|
71.9
|
1.0
|
C
|
G:CYS796
|
4.7
|
71.4
|
1.0
|
C
|
G:LYS795
|
4.8
|
70.5
|
1.0
|
CD1
|
G:LEU805
|
4.8
|
83.6
|
1.0
|
O
|
G:LYS795
|
4.9
|
72.4
|
1.0
|
|
Zinc binding site 8 out
of 8 in 5e4h
Go back to
Zinc Binding Sites List in 5e4h
Zinc binding site 8 out
of 8 in the Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Crystal Structure of Apoenzyme Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Zn901
b:69.1
occ:1.00
|
SG
|
H:CYS800
|
2.0
|
63.9
|
1.0
|
ND1
|
H:HIS742
|
2.0
|
77.0
|
1.0
|
SG
|
H:CYS796
|
2.1
|
66.7
|
1.0
|
NE2
|
H:HIS794
|
2.3
|
59.7
|
1.0
|
CE1
|
H:HIS742
|
2.8
|
76.9
|
1.0
|
CG
|
H:HIS742
|
3.0
|
72.4
|
1.0
|
CE1
|
H:HIS794
|
3.2
|
63.4
|
1.0
|
CB
|
H:CYS800
|
3.2
|
67.2
|
1.0
|
CD2
|
H:HIS794
|
3.3
|
60.4
|
1.0
|
CB
|
H:CYS796
|
3.4
|
65.7
|
1.0
|
CB
|
H:HIS742
|
3.5
|
68.5
|
1.0
|
CA
|
H:CYS796
|
3.6
|
65.8
|
1.0
|
NE2
|
H:HIS742
|
3.8
|
75.5
|
1.0
|
CD2
|
H:HIS742
|
4.0
|
72.4
|
1.0
|
ND1
|
H:HIS794
|
4.3
|
66.4
|
1.0
|
N
|
H:CYS796
|
4.3
|
68.3
|
1.0
|
CG
|
H:HIS794
|
4.4
|
63.3
|
1.0
|
CA
|
H:CYS800
|
4.4
|
70.2
|
1.0
|
CD1
|
H:LEU805
|
4.7
|
79.9
|
1.0
|
N
|
H:ASN797
|
4.7
|
60.9
|
1.0
|
C
|
H:CYS796
|
4.8
|
65.6
|
1.0
|
CB
|
H:LEU805
|
4.9
|
87.3
|
1.0
|
C
|
H:LYS795
|
4.9
|
68.5
|
1.0
|
|
Reference:
Q.Ye,
Y.Yang,
L.Van Staalduinen,
S.W.Crawley,
L.Liu,
S.Brennan,
G.P.Cote,
Z.Jia.
Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (Mhck-A) Alpha-Kinase Domain Apoenzyme Reveals A Novel Autoinhibited Conformation. Sci Rep V. 6 26634 2016.
ISSN: ESSN 2045-2322
PubMed: 27211275
DOI: 10.1038/SREP26634
Page generated: Sun Oct 27 14:59:29 2024
|