Calcium in PDB 7ron: Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
Protein crystallography data
The structure of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme, PDB code: 7ron
was solved by
T.B.Ruskoski,
A.K.Boal,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
42.41 /
1.68
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.667,
138.613,
99.438,
90,
90,
90
|
|
R / Rfree (%)
|
15.6 /
18.9
|
Other elements in 7ron:
The structure of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Calcium atom in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
(pdb code 7ron). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the
Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme, PDB code: 7ron:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 1 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca810
b:7.8
occ:0.95
|
O
|
A:GLY104
|
2.3
|
8.8
|
1.0
|
|
O
|
A:HIS106
|
2.3
|
10.1
|
1.0
|
|
OD2
|
A:ASP88
|
2.3
|
10.9
|
1.0
|
|
O
|
A:THR84
|
2.4
|
10.7
|
1.0
|
|
O
|
A:SER86
|
2.4
|
10.2
|
1.0
|
|
OD1
|
A:ASP109
|
2.4
|
9.0
|
1.0
|
|
CG
|
A:ASP109
|
3.0
|
9.8
|
1.0
|
|
OD2
|
A:ASP109
|
3.1
|
10.3
|
1.0
|
|
CG
|
A:ASP88
|
3.4
|
10.6
|
1.0
|
|
C
|
A:GLY104
|
3.5
|
10.2
|
1.0
|
|
C
|
A:THR84
|
3.5
|
10.4
|
1.0
|
|
C
|
A:HIS106
|
3.5
|
10.8
|
1.0
|
|
C
|
A:SER86
|
3.6
|
11.1
|
1.0
|
|
C
|
A:ARG105
|
3.9
|
10.6
|
1.0
|
|
O
|
A:ARG105
|
4.0
|
10.6
|
1.0
|
|
N
|
A:THR84
|
4.0
|
10.6
|
1.0
|
|
N
|
A:SER86
|
4.0
|
10.8
|
1.0
|
|
N
|
A:HIS106
|
4.1
|
10.4
|
1.0
|
|
C
|
A:VAL85
|
4.2
|
10.9
|
1.0
|
|
N
|
A:ASP88
|
4.2
|
10.3
|
1.0
|
|
CB
|
A:ASP88
|
4.2
|
10.3
|
1.0
|
|
OD1
|
A:ASP88
|
4.3
|
11.8
|
1.0
|
|
CA
|
A:GLY104
|
4.3
|
9.8
|
1.0
|
|
CA
|
A:THR84
|
4.3
|
10.1
|
1.0
|
|
N
|
A:ARG105
|
4.3
|
10.2
|
1.0
|
|
N
|
A:GLY107
|
4.4
|
11.1
|
1.0
|
|
N
|
A:VAL85
|
4.4
|
10.2
|
1.0
|
|
CA
|
A:SER86
|
4.4
|
11.4
|
1.0
|
|
CA
|
A:GLY107
|
4.4
|
11.8
|
1.0
|
|
CA
|
A:ARG105
|
4.4
|
10.9
|
1.0
|
|
CA
|
A:HIS106
|
4.5
|
10.8
|
1.0
|
|
CB
|
A:ASP109
|
4.5
|
8.9
|
1.0
|
|
CA
|
A:VAL85
|
4.5
|
10.7
|
1.0
|
|
N
|
A:SER87
|
4.5
|
10.8
|
1.0
|
|
CB
|
A:LEU83
|
4.5
|
11.4
|
1.0
|
|
O
|
A:VAL85
|
4.6
|
12.5
|
1.0
|
|
CB
|
A:ARG105
|
4.6
|
11.4
|
1.0
|
|
CA
|
A:SER87
|
4.6
|
10.4
|
1.0
|
|
OG1
|
A:THR84
|
4.6
|
10.3
|
1.0
|
|
O
|
A:GLY107
|
4.7
|
11.8
|
1.0
|
|
CA
|
A:CA811
|
4.7
|
11.3
|
1.0
|
|
C
|
A:LEU83
|
4.8
|
11.0
|
1.0
|
|
C
|
A:GLY107
|
4.8
|
11.9
|
1.0
|
|
CA
|
A:ASP88
|
4.8
|
9.6
|
1.0
|
|
C
|
A:SER87
|
4.8
|
10.5
|
1.0
|
|
Calcium binding site 2 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 2 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca811
b:11.3
occ:0.96
|
OD2
|
A:ASP109
|
2.3
|
10.3
|
1.0
|
|
OD1
|
A:ASP132
|
2.3
|
15.5
|
1.0
|
|
O
|
A:GLY107
|
2.4
|
11.8
|
1.0
|
|
O
|
A:GLY131
|
2.4
|
10.7
|
1.0
|
|
OD1
|
A:ASP153
|
2.4
|
11.6
|
1.0
|
|
O
|
A:ARG105
|
2.5
|
10.6
|
1.0
|
|
OD2
|
A:ASP153
|
3.1
|
12.9
|
1.0
|
|
CG
|
A:ASP153
|
3.1
|
12.8
|
1.0
|
|
CG
|
A:ASP109
|
3.4
|
9.8
|
1.0
|
|
C
|
A:GLY131
|
3.4
|
11.8
|
1.0
|
|
CG
|
A:ASP132
|
3.5
|
17.4
|
1.0
|
|
C
|
A:GLY107
|
3.6
|
11.9
|
1.0
|
|
C
|
A:ARG105
|
3.6
|
10.6
|
1.0
|
|
CA
|
A:ASP132
|
3.8
|
13.6
|
1.0
|
|
C
|
A:HIS106
|
3.9
|
10.8
|
1.0
|
|
O
|
A:HIS106
|
3.9
|
10.1
|
1.0
|
|
N
|
A:ASP132
|
4.0
|
12.0
|
1.0
|
|
N
|
A:GLY107
|
4.1
|
11.1
|
1.0
|
|
CB
|
A:ASP109
|
4.1
|
8.9
|
1.0
|
|
N
|
A:ASP109
|
4.1
|
9.8
|
1.0
|
|
C
|
A:GLY104
|
4.2
|
10.2
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
15.5
|
1.0
|
|
OD1
|
A:ASP109
|
4.3
|
9.0
|
1.0
|
|
N
|
A:ARG105
|
4.3
|
10.2
|
1.0
|
|
O
|
A:GLY104
|
4.3
|
8.8
|
1.0
|
|
CA
|
A:GLY107
|
4.4
|
11.8
|
1.0
|
|
CA
|
A:HIS106
|
4.4
|
10.8
|
1.0
|
|
OD2
|
A:ASP132
|
4.4
|
20.6
|
1.0
|
|
CA
|
A:GLY104
|
4.5
|
9.8
|
1.0
|
|
CA
|
A:GLY131
|
4.5
|
11.2
|
1.0
|
|
CB
|
A:TRP151
|
4.5
|
17.9
|
1.0
|
|
N
|
A:HIS106
|
4.5
|
10.4
|
1.0
|
|
N
|
A:SER108
|
4.5
|
12.2
|
1.0
|
|
CB
|
A:ASP153
|
4.6
|
12.1
|
1.0
|
|
CA
|
A:ARG105
|
4.6
|
10.9
|
1.0
|
|
CA
|
A:CA810
|
4.7
|
7.8
|
0.9
|
|
CA
|
A:ASP109
|
4.8
|
9.3
|
1.0
|
|
CA
|
A:SER108
|
4.8
|
12.4
|
1.0
|
|
C
|
A:SER108
|
4.9
|
11.1
|
1.0
|
|
CA
|
A:CA812
|
5.0
|
16.4
|
0.4
|
|
Calcium binding site 3 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 3 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca812
b:16.4
occ:0.44
|
O
|
A:TRP151
|
2.2
|
16.5
|
1.0
|
|
O
|
A:HOH1167
|
2.3
|
32.0
|
1.0
|
|
OD2
|
A:ASP153
|
2.4
|
12.9
|
1.0
|
|
O
|
A:HOH1000
|
2.4
|
20.9
|
1.0
|
|
OD1
|
A:ASP188
|
2.7
|
15.2
|
1.0
|
|
OD2
|
A:ASP132
|
2.7
|
20.6
|
1.0
|
|
CG
|
A:ASP132
|
3.3
|
17.4
|
1.0
|
|
CG
|
A:ASP153
|
3.4
|
12.8
|
1.0
|
|
C
|
A:TRP151
|
3.4
|
16.6
|
1.0
|
|
O
|
A:HOH1217
|
3.5
|
45.0
|
1.0
|
|
CG
|
A:ASP188
|
3.5
|
15.9
|
1.0
|
|
OD2
|
A:ASP188
|
3.7
|
17.0
|
1.0
|
|
N
|
A:ASP153
|
3.7
|
14.2
|
1.0
|
|
OD1
|
A:ASP132
|
3.8
|
15.5
|
1.0
|
|
CB
|
A:ASP153
|
3.8
|
12.1
|
1.0
|
|
N
|
A:TRP151
|
4.0
|
18.9
|
1.0
|
|
O
|
A:HOH1183
|
4.2
|
30.7
|
1.0
|
|
CA
|
A:TRP151
|
4.3
|
17.5
|
1.0
|
|
CB
|
A:ASP132
|
4.3
|
15.5
|
1.0
|
|
OD1
|
A:ASP153
|
4.3
|
11.6
|
1.0
|
|
CA
|
A:ASP153
|
4.4
|
12.7
|
1.0
|
|
N
|
A:SER152
|
4.4
|
16.8
|
1.0
|
|
C
|
A:SER152
|
4.5
|
16.1
|
1.0
|
|
OE2
|
A:GLU187
|
4.5
|
30.1
|
1.0
|
|
CA
|
A:SER152
|
4.6
|
16.8
|
0.5
|
|
CA
|
A:SER152
|
4.6
|
16.1
|
0.5
|
|
N
|
A:ASP132
|
4.6
|
12.0
|
1.0
|
|
C
|
A:GLY131
|
4.8
|
11.8
|
1.0
|
|
OD2
|
A:ASP182
|
4.8
|
14.5
|
1.0
|
|
CB
|
A:TRP151
|
4.9
|
17.9
|
1.0
|
|
CB
|
A:SER150
|
4.9
|
23.6
|
1.0
|
|
CA
|
A:GLY131
|
4.9
|
11.2
|
1.0
|
|
CB
|
A:ASP188
|
5.0
|
15.5
|
1.0
|
|
CA
|
A:CA811
|
5.0
|
11.3
|
1.0
|
|
CD
|
A:GLU187
|
5.0
|
31.3
|
1.0
|
|
Calcium binding site 4 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 4 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca813
b:11.5
occ:0.96
|
OE2
|
A:GLU167
|
2.2
|
15.6
|
1.0
|
|
O
|
A:LEU220
|
2.3
|
12.3
|
1.0
|
|
O
|
A:TYR165
|
2.3
|
11.7
|
1.0
|
|
OD1
|
A:ASP219
|
2.3
|
15.2
|
1.0
|
|
O
|
A:GLY173
|
2.3
|
15.3
|
1.0
|
|
O
|
A:GLN176
|
2.4
|
12.2
|
1.0
|
|
C
|
A:GLY173
|
3.4
|
17.2
|
1.0
|
|
C
|
A:LEU220
|
3.4
|
12.7
|
1.0
|
|
CG
|
A:ASP219
|
3.5
|
15.5
|
1.0
|
|
CD
|
A:GLU167
|
3.5
|
17.5
|
1.0
|
|
C
|
A:GLN176
|
3.5
|
13.0
|
1.0
|
|
C
|
A:TYR165
|
3.5
|
12.3
|
1.0
|
|
CA
|
A:GLY173
|
3.9
|
16.7
|
1.0
|
|
N
|
A:LEU220
|
3.9
|
13.7
|
1.0
|
|
OD2
|
A:ASP219
|
4.0
|
15.7
|
1.0
|
|
CA
|
A:LEU220
|
4.1
|
13.1
|
1.0
|
|
N
|
A:GLN176
|
4.1
|
13.6
|
1.0
|
|
CA
|
A:GLN176
|
4.2
|
13.5
|
1.0
|
|
CB
|
A:GLN176
|
4.2
|
12.7
|
1.0
|
|
CB
|
A:TYR165
|
4.3
|
10.8
|
1.0
|
|
OE1
|
A:GLU167
|
4.3
|
16.7
|
1.0
|
|
N
|
A:PHE166
|
4.4
|
13.7
|
1.0
|
|
CG
|
A:GLU167
|
4.4
|
17.4
|
1.0
|
|
CB
|
A:LEU220
|
4.4
|
13.0
|
1.0
|
|
CA
|
A:PHE166
|
4.4
|
15.4
|
1.0
|
|
CA
|
A:TYR165
|
4.4
|
11.1
|
1.0
|
|
N
|
A:LEU174
|
4.5
|
16.7
|
1.0
|
|
C
|
A:ASP219
|
4.5
|
14.2
|
1.0
|
|
N
|
A:ILE221
|
4.5
|
12.3
|
1.0
|
|
N
|
A:GLU167
|
4.5
|
17.5
|
1.0
|
|
N
|
A:SER177
|
4.6
|
12.0
|
1.0
|
|
CB
|
A:ASP219
|
4.6
|
15.3
|
1.0
|
|
CA
|
A:ILE221
|
4.7
|
12.4
|
1.0
|
|
CA
|
A:SER177
|
4.8
|
12.0
|
0.6
|
|
CA
|
A:SER177
|
4.8
|
12.0
|
0.4
|
|
CD1
|
A:ILE221
|
4.8
|
12.8
|
1.0
|
|
CA
|
A:LEU174
|
4.9
|
16.9
|
1.0
|
|
CA
|
A:ASP219
|
4.9
|
15.4
|
1.0
|
|
CB
|
A:SER177
|
4.9
|
12.6
|
0.6
|
|
C
|
A:PHE166
|
4.9
|
16.4
|
1.0
|
|
CB
|
A:SER177
|
5.0
|
12.4
|
0.4
|
|
Calcium binding site 5 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 5 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca814
b:8.1
occ:0.97
|
OD1
|
A:ASP644
|
2.2
|
8.8
|
1.0
|
|
O
|
A:ALA259
|
2.3
|
10.7
|
1.0
|
|
O
|
A:THR257
|
2.3
|
8.4
|
1.0
|
|
O
|
A:GLY641
|
2.3
|
9.3
|
1.0
|
|
OD2
|
A:ASP261
|
2.3
|
9.6
|
1.0
|
|
O
|
A:TYR643
|
2.4
|
6.8
|
1.0
|
|
C
|
A:TYR643
|
3.3
|
7.7
|
1.0
|
|
C
|
A:THR257
|
3.4
|
10.4
|
1.0
|
|
CG
|
A:ASP261
|
3.4
|
8.9
|
1.0
|
|
C
|
A:GLY641
|
3.5
|
10.1
|
1.0
|
|
CG
|
A:ASP644
|
3.5
|
8.7
|
1.0
|
|
C
|
A:ALA259
|
3.5
|
10.3
|
1.0
|
|
N
|
A:THR257
|
3.8
|
10.8
|
1.0
|
|
N
|
A:ASP644
|
3.9
|
7.4
|
1.0
|
|
N
|
A:GLY641
|
4.0
|
11.1
|
1.0
|
|
N
|
A:ALA259
|
4.0
|
9.5
|
1.0
|
|
CA
|
A:ASP644
|
4.1
|
7.7
|
1.0
|
|
CA
|
A:GLY641
|
4.2
|
10.9
|
1.0
|
|
N
|
A:ASP261
|
4.2
|
8.2
|
1.0
|
|
C
|
A:ALA258
|
4.2
|
10.2
|
1.0
|
|
N
|
A:TYR643
|
4.2
|
8.6
|
1.0
|
|
CA
|
A:THR257
|
4.2
|
10.6
|
1.0
|
|
CB
|
A:ASP261
|
4.3
|
8.5
|
1.0
|
|
C
|
A:SER642
|
4.3
|
9.6
|
1.0
|
|
OD1
|
A:ASP261
|
4.3
|
8.8
|
1.0
|
|
CB
|
A:ASP644
|
4.3
|
7.9
|
1.0
|
|
CA
|
A:TYR643
|
4.4
|
8.2
|
1.0
|
|
CA
|
A:ALA259
|
4.4
|
9.7
|
1.0
|
|
N
|
A:ALA258
|
4.4
|
10.6
|
1.0
|
|
OG1
|
A:THR257
|
4.4
|
9.4
|
1.0
|
|
N
|
A:ASN260
|
4.4
|
9.5
|
1.0
|
|
OD2
|
A:ASP644
|
4.4
|
10.2
|
1.0
|
|
CA
|
A:GLY256
|
4.4
|
11.4
|
1.0
|
|
CA
|
A:ASN260
|
4.5
|
9.9
|
1.0
|
|
C
|
A:GLY256
|
4.5
|
11.3
|
1.0
|
|
N
|
A:SER642
|
4.5
|
10.5
|
1.0
|
|
O
|
A:ALA258
|
4.6
|
10.2
|
1.0
|
|
CA
|
A:ALA258
|
4.6
|
11.0
|
1.0
|
|
C
|
A:ALA640
|
4.6
|
11.4
|
1.0
|
|
O
|
A:SER642
|
4.6
|
9.7
|
1.0
|
|
C
|
A:ASN260
|
4.7
|
8.9
|
1.0
|
|
CB
|
A:ALA640
|
4.7
|
11.5
|
1.0
|
|
CA
|
A:SER642
|
4.9
|
10.3
|
1.0
|
|
CA
|
A:ASP261
|
4.9
|
8.1
|
1.0
|
|
Calcium binding site 6 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 6 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca815
b:7.1
occ:0.95
|
O
|
A:GLY290
|
2.2
|
11.9
|
1.0
|
|
OE2
|
A:GLU317
|
2.2
|
9.7
|
1.0
|
|
O
|
A:GLY315
|
2.3
|
10.1
|
1.0
|
|
O
|
A:SER313
|
2.3
|
8.7
|
1.0
|
|
OD1
|
A:ASP293
|
2.3
|
9.8
|
1.0
|
|
O
|
A:ARG292
|
2.4
|
7.3
|
1.0
|
|
C
|
A:ARG292
|
3.3
|
7.8
|
1.0
|
|
C
|
A:GLY315
|
3.5
|
10.2
|
1.0
|
|
CD
|
A:GLU317
|
3.5
|
9.4
|
1.0
|
|
C
|
A:GLY290
|
3.5
|
10.7
|
1.0
|
|
CG
|
A:ASP293
|
3.5
|
9.3
|
1.0
|
|
C
|
A:SER313
|
3.5
|
10.9
|
1.0
|
|
N
|
A:SER313
|
3.8
|
10.7
|
1.0
|
|
N
|
A:ASP293
|
3.8
|
7.2
|
1.0
|
|
CA
|
A:ASP293
|
3.9
|
7.9
|
1.0
|
|
N
|
A:GLY290
|
4.1
|
11.5
|
1.0
|
|
N
|
A:GLY315
|
4.2
|
11.2
|
1.0
|
|
N
|
A:ARG292
|
4.2
|
7.8
|
1.0
|
|
OE1
|
A:GLU317
|
4.2
|
10.2
|
1.0
|
|
C
|
A:ALA291
|
4.2
|
8.8
|
1.0
|
|
CB
|
A:ASP293
|
4.2
|
8.4
|
1.0
|
|
CA
|
A:GLY290
|
4.3
|
11.7
|
1.0
|
|
C
|
A:THR314
|
4.3
|
11.2
|
1.0
|
|
N
|
A:THR316
|
4.3
|
9.7
|
1.0
|
|
CA
|
A:SER313
|
4.3
|
11.1
|
1.0
|
|
O
|
A:ALA291
|
4.3
|
10.1
|
1.0
|
|
CA
|
A:ARG292
|
4.4
|
7.5
|
1.0
|
|
CA
|
A:THR316
|
4.4
|
9.4
|
1.0
|
|
CA
|
A:GLY315
|
4.4
|
10.3
|
1.0
|
|
N
|
A:THR314
|
4.4
|
10.5
|
1.0
|
|
OG
|
A:SER313
|
4.5
|
10.1
|
1.0
|
|
N
|
A:ALA291
|
4.5
|
10.2
|
1.0
|
|
OD2
|
A:ASP293
|
4.5
|
9.6
|
1.0
|
|
CG
|
A:GLU317
|
4.5
|
8.9
|
1.0
|
|
CB
|
A:ALA291
|
4.6
|
10.0
|
1.0
|
|
CA
|
A:THR314
|
4.6
|
11.4
|
1.0
|
|
N
|
A:GLU317
|
4.6
|
8.5
|
1.0
|
|
O
|
A:THR314
|
4.6
|
12.7
|
1.0
|
|
CA
|
A:ALA291
|
4.7
|
9.8
|
1.0
|
|
C
|
A:GLY312
|
4.7
|
11.6
|
1.0
|
|
CA
|
A:GLY312
|
4.7
|
10.7
|
1.0
|
|
C
|
A:ILE289
|
4.8
|
12.1
|
1.0
|
|
C
|
A:THR316
|
4.8
|
9.0
|
1.0
|
|
CB
|
A:ILE289
|
4.9
|
12.0
|
1.0
|
|
Calcium binding site 7 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 7 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca816
b:13.1
occ:0.61
|
O
|
A:THR371
|
2.3
|
14.8
|
1.0
|
|
O
|
A:THR369
|
2.4
|
14.7
|
1.0
|
|
OD1
|
A:ASP349
|
2.4
|
12.1
|
1.0
|
|
O
|
A:ASN348
|
2.4
|
11.1
|
1.0
|
|
O
|
A:HOH1006
|
2.5
|
15.8
|
1.0
|
|
O
|
A:HOH1085
|
2.5
|
13.6
|
1.0
|
|
C
|
A:ASN348
|
3.2
|
11.3
|
1.0
|
|
C
|
A:THR371
|
3.4
|
15.9
|
1.0
|
|
CG
|
A:ASP349
|
3.4
|
10.6
|
1.0
|
|
C
|
A:THR369
|
3.6
|
17.8
|
1.0
|
|
CA
|
A:ASP349
|
3.8
|
9.6
|
1.0
|
|
N
|
A:ASP349
|
3.8
|
10.0
|
1.0
|
|
OG1
|
A:THR369
|
3.9
|
25.8
|
1.0
|
|
N
|
A:ASN348
|
4.0
|
11.9
|
1.0
|
|
C
|
A:TYR370
|
4.0
|
16.5
|
1.0
|
|
N
|
A:THR371
|
4.1
|
16.7
|
1.0
|
|
CA
|
A:GLY346
|
4.1
|
15.5
|
1.0
|
|
CA
|
A:ASN348
|
4.1
|
12.8
|
1.0
|
|
CB
|
A:ASP349
|
4.1
|
10.2
|
1.0
|
|
N
|
A:LEU372
|
4.2
|
15.0
|
1.0
|
|
N
|
A:GLU373
|
4.2
|
14.0
|
1.0
|
|
CA
|
A:LEU372
|
4.3
|
14.8
|
1.0
|
|
O
|
A:TYR370
|
4.3
|
16.7
|
1.0
|
|
C
|
A:GLY346
|
4.3
|
15.2
|
1.0
|
|
CB
|
A:GLU373
|
4.3
|
15.7
|
1.0
|
|
N
|
A:THR369
|
4.3
|
17.6
|
1.0
|
|
CA
|
A:THR371
|
4.3
|
17.0
|
1.0
|
|
OD2
|
A:ASP349
|
4.4
|
11.5
|
1.0
|
|
CA
|
A:TYR370
|
4.4
|
18.5
|
1.0
|
|
O
|
A:ASN367
|
4.5
|
13.6
|
1.0
|
|
O
|
A:GLY346
|
4.5
|
16.1
|
1.0
|
|
N
|
A:TYR370
|
4.5
|
17.6
|
1.0
|
|
CA
|
A:THR369
|
4.5
|
18.8
|
1.0
|
|
C
|
A:LEU372
|
4.5
|
14.5
|
1.0
|
|
CB
|
A:ASN348
|
4.6
|
13.1
|
1.0
|
|
N
|
A:GLY346
|
4.7
|
16.4
|
1.0
|
|
CB
|
A:THR369
|
4.8
|
21.9
|
1.0
|
|
OE1
|
A:GLU373
|
4.8
|
19.0
|
1.0
|
|
N
|
A:GLY347
|
4.9
|
13.2
|
1.0
|
|
CA
|
A:GLU373
|
5.0
|
13.9
|
1.0
|
|
Calcium binding site 8 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 8 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca817
b:19.5
occ:0.63
|
O
|
A:THR437
|
2.2
|
19.5
|
1.0
|
|
OD2
|
A:ASP439
|
2.3
|
17.4
|
1.0
|
|
O
|
A:THR435
|
2.3
|
19.7
|
1.0
|
|
O
|
A:THR414
|
2.3
|
16.1
|
1.0
|
|
OD1
|
A:ASP415
|
2.4
|
27.5
|
1.0
|
|
OG
|
A:SER413
|
2.9
|
32.0
|
1.0
|
|
CG
|
A:ASP439
|
3.3
|
15.9
|
1.0
|
|
C
|
A:THR414
|
3.4
|
19.5
|
1.0
|
|
C
|
A:THR435
|
3.4
|
20.8
|
1.0
|
|
C
|
A:THR437
|
3.4
|
18.6
|
1.0
|
|
CG
|
A:ASP415
|
3.5
|
27.4
|
1.0
|
|
N
|
A:THR435
|
3.6
|
19.8
|
1.0
|
|
CB
|
A:SER413
|
3.9
|
28.7
|
1.0
|
|
N
|
A:ASP439
|
3.9
|
16.1
|
1.0
|
|
OD1
|
A:ASP439
|
4.0
|
18.7
|
1.0
|
|
N
|
A:THR437
|
4.0
|
21.1
|
1.0
|
|
OG1
|
A:THR435
|
4.0
|
19.9
|
1.0
|
|
CA
|
A:ASP415
|
4.0
|
18.8
|
1.0
|
|
N
|
A:ASP415
|
4.0
|
18.0
|
1.0
|
|
CA
|
A:THR435
|
4.1
|
20.5
|
1.0
|
|
N
|
A:THR414
|
4.3
|
23.1
|
1.0
|
|
CB
|
A:ASP439
|
4.3
|
14.8
|
1.0
|
|
C
|
A:ILE436
|
4.3
|
23.0
|
1.0
|
|
CB
|
A:ASP415
|
4.3
|
22.4
|
1.0
|
|
OD2
|
A:ASP415
|
4.3
|
33.8
|
1.0
|
|
CA
|
A:THR437
|
4.3
|
20.6
|
1.0
|
|
N
|
A:LEU438
|
4.4
|
18.6
|
1.0
|
|
C
|
A:LEU438
|
4.4
|
17.2
|
1.0
|
|
CA
|
A:LEU438
|
4.4
|
19.7
|
1.0
|
|
N
|
A:ILE436
|
4.4
|
22.3
|
1.0
|
|
CA
|
A:THR414
|
4.5
|
21.7
|
1.0
|
|
C
|
A:SER413
|
4.5
|
27.6
|
1.0
|
|
C
|
A:GLY434
|
4.5
|
21.9
|
1.0
|
|
CA
|
A:ASP439
|
4.7
|
15.1
|
1.0
|
|
CB
|
A:THR435
|
4.7
|
19.7
|
1.0
|
|
CA
|
A:ILE436
|
4.7
|
24.1
|
1.0
|
|
CA
|
A:GLY434
|
4.8
|
20.7
|
1.0
|
|
O
|
A:ILE436
|
4.8
|
25.1
|
1.0
|
|
CA
|
A:SER413
|
4.8
|
29.7
|
1.0
|
|
O
|
A:SER413
|
4.9
|
26.7
|
1.0
|
|
Calcium binding site 9 out
of 11 in 7ron
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Calcium Binding Sites List in 7ron
Calcium binding site 9 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca818
b:15.8
occ:0.72
|
O
|
A:ASN496
|
2.3
|
12.9
|
1.0
|
|
O
|
A:TYR473
|
2.3
|
11.1
|
1.0
|
|
OD2
|
A:ASP498
|
2.4
|
13.0
|
1.0
|
|
O
|
A:HOH1122
|
2.4
|
13.9
|
1.0
|
|
O
|
A:THR494
|
2.4
|
14.8
|
1.0
|
|
OD1
|
A:ASP474
|
2.4
|
13.2
|
1.0
|
|
O
|
A:HOH906
|
3.1
|
17.6
|
1.0
|
|
C
|
A:TYR473
|
3.3
|
11.6
|
1.0
|
|
CG
|
A:ASP498
|
3.4
|
12.4
|
1.0
|
|
C
|
A:THR494
|
3.5
|
16.6
|
1.0
|
|
C
|
A:ASN496
|
3.5
|
13.6
|
1.0
|
|
CG
|
A:ASP474
|
3.6
|
13.4
|
1.0
|
|
N
|
A:THR494
|
3.6
|
15.5
|
1.0
|
|
N
|
A:ASP474
|
3.8
|
11.4
|
1.0
|
|
CA
|
A:ASP474
|
3.8
|
11.7
|
1.0
|
|
N
|
A:ASP498
|
3.9
|
11.1
|
1.0
|
|
OG1
|
A:THR494
|
4.1
|
15.4
|
1.0
|
|
OD1
|
A:ASP498
|
4.1
|
13.3
|
1.0
|
|
CA
|
A:THR494
|
4.2
|
16.3
|
1.0
|
|
N
|
A:ASN496
|
4.2
|
15.7
|
1.0
|
|
O
|
A:GLU472
|
4.2
|
14.9
|
1.0
|
|
C
|
A:PRO495
|
4.2
|
17.0
|
1.0
|
|
CA
|
A:GLY493
|
4.2
|
14.0
|
1.0
|
|
CB
|
A:ASP474
|
4.3
|
12.1
|
1.0
|
|
CB
|
A:ASP498
|
4.3
|
11.7
|
1.0
|
|
C
|
A:GLY493
|
4.3
|
15.2
|
1.0
|
|
C
|
A:TYR497
|
4.3
|
11.5
|
1.0
|
|
N
|
A:TYR497
|
4.4
|
13.4
|
1.0
|
|
CA
|
A:TYR497
|
4.4
|
12.2
|
1.0
|
|
N
|
A:PRO495
|
4.4
|
16.6
|
1.0
|
|
C
|
A:GLU472
|
4.4
|
14.6
|
1.0
|
|
CA
|
A:TYR473
|
4.5
|
12.8
|
1.0
|
|
N
|
A:TYR473
|
4.5
|
12.6
|
1.0
|
|
CA
|
A:ASN496
|
4.5
|
15.2
|
1.0
|
|
OD1
|
A:ASN466
|
4.5
|
18.4
|
1.0
|
|
CA
|
A:PRO495
|
4.6
|
17.1
|
1.0
|
|
OD2
|
A:ASP474
|
4.6
|
13.6
|
1.0
|
|
O
|
A:PRO495
|
4.6
|
17.7
|
1.0
|
|
CB
|
A:GLU472
|
4.7
|
15.7
|
1.0
|
|
CA
|
A:ASP498
|
4.7
|
11.7
|
1.0
|
|
CB
|
A:THR494
|
4.8
|
17.1
|
1.0
|
|
Calcium binding site 10 out
of 11 in 7ron
Go back to
Calcium Binding Sites List in 7ron
Calcium binding site 10 out
of 11 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca819
b:10.5
occ:0.98
|
O
|
A:THR550
|
2.2
|
12.9
|
1.0
|
|
OD2
|
A:ASP554
|
2.3
|
10.7
|
1.0
|
|
O
|
A:GLU552
|
2.3
|
12.8
|
1.0
|
|
O
|
A:GLY527
|
2.3
|
14.0
|
1.0
|
|
O
|
A:TYR529
|
2.3
|
10.9
|
1.0
|
|
OD1
|
A:ASP530
|
2.3
|
13.2
|
1.0
|
|
C
|
A:TYR529
|
3.3
|
10.9
|
1.0
|
|
C
|
A:THR550
|
3.4
|
14.4
|
1.0
|
|
CG
|
A:ASP554
|
3.5
|
10.9
|
1.0
|
|
C
|
A:GLU552
|
3.5
|
12.8
|
1.0
|
|
C
|
A:GLY527
|
3.5
|
14.7
|
1.0
|
|
CG
|
A:ASP530
|
3.6
|
12.3
|
1.0
|
|
N
|
A:THR550
|
3.8
|
13.4
|
1.0
|
|
N
|
A:ASP530
|
4.0
|
11.1
|
1.0
|
|
N
|
A:GLU552
|
4.0
|
14.9
|
1.0
|
|
CA
|
A:ASP530
|
4.0
|
10.8
|
1.0
|
|
C
|
A:SER551
|
4.1
|
15.6
|
1.0
|
|
N
|
A:GLY527
|
4.2
|
14.7
|
1.0
|
|
N
|
A:ASP554
|
4.2
|
10.3
|
1.0
|
|
N
|
A:TYR529
|
4.2
|
11.7
|
1.0
|
|
C
|
A:SER528
|
4.2
|
12.9
|
1.0
|
|
CA
|
A:THR550
|
4.2
|
14.4
|
1.0
|
|
OG1
|
A:THR550
|
4.2
|
12.9
|
1.0
|
|
OD1
|
A:ASP554
|
4.3
|
11.0
|
1.0
|
|
CB
|
A:ASP554
|
4.3
|
10.7
|
1.0
|
|
CA
|
A:GLY527
|
4.3
|
15.2
|
1.0
|
|
CB
|
A:ASP530
|
4.3
|
11.4
|
1.0
|
|
CA
|
A:GLY549
|
4.4
|
14.0
|
1.0
|
|
N
|
A:SER551
|
4.4
|
14.7
|
1.0
|
|
CA
|
A:TYR529
|
4.4
|
11.0
|
1.0
|
|
CA
|
A:GLU552
|
4.4
|
14.5
|
1.0
|
|
N
|
A:ASP553
|
4.4
|
11.8
|
1.0
|
|
C
|
A:GLY549
|
4.4
|
14.7
|
1.0
|
|
O
|
A:SER528
|
4.5
|
13.3
|
1.0
|
|
OD2
|
A:ASP530
|
4.5
|
12.8
|
1.0
|
|
CA
|
A:ASP553
|
4.5
|
11.6
|
0.6
|
|
CA
|
A:ASP553
|
4.5
|
11.4
|
0.4
|
|
CA
|
A:SER551
|
4.5
|
16.5
|
1.0
|
|
N
|
A:SER528
|
4.5
|
14.0
|
1.0
|
|
O
|
A:SER551
|
4.6
|
16.5
|
1.0
|
|
C
|
A:ASP553
|
4.6
|
10.9
|
1.0
|
|
CB
|
A:SER528
|
4.6
|
14.0
|
1.0
|
|
CA
|
A:SER528
|
4.7
|
14.0
|
1.0
|
|
C
|
A:ALA526
|
4.7
|
15.6
|
1.0
|
|
CB
|
A:ALA526
|
4.8
|
15.4
|
1.0
|
|
OD1
|
A:ASN525
|
4.8
|
18.8
|
1.0
|
|
CA
|
A:ASP554
|
4.9
|
10.3
|
1.0
|
|
CB
|
A:THR550
|
4.9
|
14.1
|
1.0
|
|
Reference:
N.R.Braffman,
T.B.Ruskoski,
K.M.Davis,
N.R.Glasser,
C.Johnson,
C.D.Okafor,
A.K.Boal,
E.P.Balskus.
Structural Basis For An Unprecedented Enzymatic Alkylation in Cylindrocyclophane Biosynthesis. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35212625
DOI: 10.7554/ELIFE.75761
Page generated: Tue Apr 4 18:37:56 2023
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