Calcium in PDB 7roo: Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
Protein crystallography data
The structure of Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide, PDB code: 7roo
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)
|
46.78 /
1.52
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.47,
138.656,
99.511,
90,
90,
90
|
|
R / Rfree (%)
|
16.9 /
19.8
|
Other elements in 7roo:
The structure of Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
(pdb code 7roo). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide, PDB code: 7roo:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 1 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca712
b:8.5
occ:0.99
|
O
|
A:HIS106
|
2.3
|
7.7
|
1.0
|
|
O
|
A:GLY104
|
2.3
|
8.3
|
1.0
|
|
O
|
A:SER86
|
2.4
|
9.2
|
1.0
|
|
OD2
|
A:ASP88
|
2.4
|
8.9
|
1.0
|
|
OD1
|
A:ASP109
|
2.4
|
8.5
|
1.0
|
|
O
|
A:THR84
|
2.4
|
8.4
|
1.0
|
|
CG
|
A:ASP109
|
3.1
|
8.5
|
1.0
|
|
OD2
|
A:ASP109
|
3.1
|
8.7
|
1.0
|
|
CG
|
A:ASP88
|
3.4
|
8.2
|
1.0
|
|
C
|
A:THR84
|
3.5
|
8.4
|
1.0
|
|
C
|
A:GLY104
|
3.5
|
8.3
|
1.0
|
|
C
|
A:HIS106
|
3.5
|
9.1
|
1.0
|
|
C
|
A:SER86
|
3.6
|
9.0
|
1.0
|
|
C
|
A:ARG105
|
3.9
|
8.7
|
1.0
|
|
N
|
A:THR84
|
4.0
|
8.3
|
1.0
|
|
O
|
A:ARG105
|
4.0
|
8.5
|
1.0
|
|
N
|
A:SER86
|
4.0
|
8.9
|
1.0
|
|
N
|
A:HIS106
|
4.1
|
8.2
|
1.0
|
|
CB
|
A:ASP88
|
4.1
|
8.6
|
1.0
|
|
N
|
A:ASP88
|
4.1
|
9.2
|
1.0
|
|
C
|
A:VAL85
|
4.1
|
8.6
|
1.0
|
|
CA
|
A:GLY104
|
4.3
|
8.8
|
1.0
|
|
CA
|
A:THR84
|
4.3
|
8.8
|
1.0
|
|
OD1
|
A:ASP88
|
4.3
|
8.8
|
1.0
|
|
N
|
A:VAL85
|
4.4
|
8.7
|
1.0
|
|
N
|
A:ARG105
|
4.4
|
8.6
|
1.0
|
|
N
|
A:GLY107
|
4.4
|
9.3
|
1.0
|
|
CA
|
A:SER86
|
4.4
|
9.2
|
1.0
|
|
CA
|
A:HIS106
|
4.5
|
8.6
|
1.0
|
|
CA
|
A:GLY107
|
4.5
|
10.6
|
1.0
|
|
CA
|
A:VAL85
|
4.5
|
9.0
|
1.0
|
|
N
|
A:SER87
|
4.5
|
9.4
|
1.0
|
|
CB
|
A:ASP109
|
4.5
|
8.7
|
1.0
|
|
CA
|
A:ARG105
|
4.5
|
8.6
|
1.0
|
|
O
|
A:VAL85
|
4.6
|
9.4
|
1.0
|
|
OG1
|
A:THR84
|
4.6
|
8.8
|
1.0
|
|
CA
|
A:SER87
|
4.6
|
9.4
|
1.0
|
|
CB
|
A:LEU83
|
4.6
|
9.2
|
1.0
|
|
CB
|
A:ARG105
|
4.6
|
8.9
|
1.0
|
|
O
|
A:GLY107
|
4.8
|
9.5
|
1.0
|
|
CA
|
A:ASP88
|
4.8
|
8.7
|
1.0
|
|
C
|
A:GLY107
|
4.8
|
10.6
|
1.0
|
|
C
|
A:LEU83
|
4.8
|
10.3
|
1.0
|
|
CA
|
A:CA713
|
4.8
|
8.7
|
0.9
|
|
C
|
A:SER87
|
4.8
|
9.9
|
1.0
|
|
Calcium binding site 2 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 2 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca713
b:8.7
occ:0.93
|
OD1
|
A:ASP132
|
2.2
|
11.1
|
1.0
|
|
OD2
|
A:ASP109
|
2.3
|
8.7
|
1.0
|
|
OD1
|
A:ASP153
|
2.4
|
9.6
|
1.0
|
|
O
|
A:GLY131
|
2.4
|
8.4
|
1.0
|
|
O
|
A:GLY107
|
2.4
|
9.5
|
1.0
|
|
O
|
A:ARG105
|
2.5
|
8.5
|
1.0
|
|
CG
|
A:ASP153
|
3.1
|
11.2
|
1.0
|
|
OD2
|
A:ASP153
|
3.2
|
10.9
|
1.0
|
|
C
|
A:GLY131
|
3.4
|
9.7
|
1.0
|
|
CG
|
A:ASP132
|
3.4
|
11.6
|
1.0
|
|
CG
|
A:ASP109
|
3.4
|
8.5
|
1.0
|
|
C
|
A:GLY107
|
3.6
|
10.6
|
1.0
|
|
C
|
A:ARG105
|
3.7
|
8.7
|
1.0
|
|
CA
|
A:ASP132
|
3.8
|
10.0
|
1.0
|
|
C
|
A:HIS106
|
3.9
|
9.1
|
1.0
|
|
N
|
A:ASP132
|
4.0
|
9.0
|
1.0
|
|
O
|
A:HIS106
|
4.0
|
7.7
|
1.0
|
|
N
|
A:GLY107
|
4.1
|
9.3
|
1.0
|
|
CB
|
A:ASP109
|
4.1
|
8.7
|
1.0
|
|
N
|
A:ASP109
|
4.1
|
9.8
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
10.7
|
1.0
|
|
C
|
A:GLY104
|
4.2
|
8.3
|
1.0
|
|
OD2
|
A:ASP132
|
4.3
|
12.4
|
1.0
|
|
N
|
A:ARG105
|
4.3
|
8.6
|
1.0
|
|
OD1
|
A:ASP109
|
4.4
|
8.5
|
1.0
|
|
CA
|
A:HIS106
|
4.4
|
8.6
|
1.0
|
|
CA
|
A:GLY107
|
4.4
|
10.6
|
1.0
|
|
O
|
A:GLY104
|
4.5
|
8.3
|
1.0
|
|
CB
|
A:TRP151
|
4.5
|
12.2
|
1.0
|
|
CA
|
A:GLY131
|
4.5
|
9.8
|
1.0
|
|
N
|
A:HIS106
|
4.5
|
8.2
|
1.0
|
|
CA
|
A:GLY104
|
4.5
|
8.8
|
1.0
|
|
CB
|
A:ASP153
|
4.5
|
11.3
|
1.0
|
|
N
|
A:SER108
|
4.6
|
10.6
|
1.0
|
|
CA
|
A:ARG105
|
4.6
|
8.6
|
1.0
|
|
CA
|
A:SER108
|
4.8
|
11.2
|
1.0
|
|
CA
|
A:ASP109
|
4.8
|
9.4
|
1.0
|
|
CA
|
A:CA712
|
4.8
|
8.5
|
1.0
|
|
CA
|
A:CA714
|
4.9
|
11.4
|
0.6
|
|
C
|
A:SER108
|
4.9
|
10.7
|
1.0
|
|
Calcium binding site 3 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 3 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca714
b:11.4
occ:0.62
|
O
|
A:TRP151
|
2.3
|
12.3
|
1.0
|
|
O
|
A:HOH1069
|
2.3
|
20.2
|
1.0
|
|
OD2
|
A:ASP153
|
2.4
|
10.9
|
1.0
|
|
OD2
|
A:ASP132
|
2.4
|
12.4
|
1.0
|
|
O
|
A:HOH910
|
2.5
|
17.2
|
1.0
|
|
OD1
|
A:ASP188
|
2.7
|
14.2
|
1.0
|
|
CG
|
A:ASP132
|
3.2
|
11.6
|
1.0
|
|
CG
|
A:ASP153
|
3.3
|
11.2
|
1.0
|
|
CG
|
A:ASP188
|
3.5
|
14.7
|
1.0
|
|
C
|
A:TRP151
|
3.5
|
12.2
|
1.0
|
|
OD2
|
A:ASP188
|
3.5
|
15.9
|
1.0
|
|
O
|
A:HOH1185
|
3.6
|
31.1
|
1.0
|
|
OD1
|
A:ASP132
|
3.8
|
11.1
|
1.0
|
|
N
|
A:ASP153
|
3.9
|
12.0
|
1.0
|
|
CB
|
A:ASP153
|
4.0
|
11.3
|
1.0
|
|
N
|
A:TRP151
|
4.0
|
11.9
|
1.0
|
|
CB
|
A:ASP132
|
4.1
|
10.7
|
1.0
|
|
CA
|
A:TRP151
|
4.3
|
11.8
|
1.0
|
|
OD1
|
A:ASP153
|
4.3
|
9.6
|
1.0
|
|
N
|
A:SER152
|
4.5
|
12.2
|
1.0
|
|
N
|
A:ASP132
|
4.5
|
9.0
|
1.0
|
|
CA
|
A:ASP153
|
4.6
|
10.8
|
1.0
|
|
OE2
|
A:GLU187
|
4.6
|
23.7
|
1.0
|
|
C
|
A:SER152
|
4.6
|
11.4
|
1.0
|
|
C
|
A:GLY131
|
4.6
|
9.7
|
1.0
|
|
O
|
A:HOH1163
|
4.6
|
25.4
|
1.0
|
|
CA
|
A:SER152
|
4.7
|
12.1
|
0.5
|
|
CA
|
A:SER152
|
4.7
|
12.5
|
0.5
|
|
CB
|
A:SER150
|
4.8
|
15.0
|
1.0
|
|
OD2
|
A:ASP182
|
4.8
|
12.1
|
1.0
|
|
CA
|
A:GLY131
|
4.8
|
9.8
|
1.0
|
|
CA
|
A:CA713
|
4.9
|
8.7
|
0.9
|
|
CB
|
A:ASP188
|
4.9
|
14.2
|
1.0
|
|
CB
|
A:TRP151
|
4.9
|
12.2
|
1.0
|
|
CA
|
A:ASP132
|
4.9
|
10.0
|
1.0
|
|
Calcium binding site 4 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 4 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca715
b:11.2
occ:0.90
|
OE2
|
A:GLU167
|
2.3
|
14.3
|
1.0
|
|
O
|
A:LEU220
|
2.3
|
14.1
|
1.0
|
|
O
|
A:TYR165
|
2.3
|
12.2
|
1.0
|
|
OD1
|
A:ASP219
|
2.3
|
14.8
|
1.0
|
|
O
|
A:GLN176
|
2.3
|
13.2
|
1.0
|
|
O
|
A:GLY173
|
2.3
|
16.0
|
1.0
|
|
C
|
A:GLY173
|
3.4
|
16.1
|
1.0
|
|
C
|
A:LEU220
|
3.4
|
12.4
|
1.0
|
|
CG
|
A:ASP219
|
3.4
|
17.2
|
1.0
|
|
C
|
A:GLN176
|
3.5
|
12.5
|
1.0
|
|
CD
|
A:GLU167
|
3.5
|
17.4
|
1.0
|
|
C
|
A:TYR165
|
3.5
|
11.9
|
1.0
|
|
CA
|
A:GLY173
|
3.9
|
15.9
|
1.0
|
|
OD2
|
A:ASP219
|
3.9
|
16.5
|
1.0
|
|
N
|
A:LEU220
|
3.9
|
14.0
|
1.0
|
|
CA
|
A:LEU220
|
4.1
|
13.3
|
1.0
|
|
N
|
A:GLN176
|
4.1
|
13.7
|
1.0
|
|
CA
|
A:GLN176
|
4.1
|
13.8
|
1.0
|
|
CB
|
A:GLN176
|
4.2
|
12.1
|
1.0
|
|
OE1
|
A:GLU167
|
4.3
|
18.0
|
1.0
|
|
CB
|
A:TYR165
|
4.3
|
11.1
|
1.0
|
|
N
|
A:PHE166
|
4.4
|
12.9
|
1.0
|
|
CB
|
A:LEU220
|
4.4
|
14.1
|
1.0
|
|
CA
|
A:PHE166
|
4.4
|
12.7
|
1.0
|
|
C
|
A:ASP219
|
4.4
|
13.7
|
1.0
|
|
CG
|
A:GLU167
|
4.5
|
15.8
|
1.0
|
|
CA
|
A:TYR165
|
4.5
|
11.2
|
1.0
|
|
N
|
A:ILE221
|
4.5
|
12.7
|
1.0
|
|
N
|
A:LEU174
|
4.5
|
15.6
|
1.0
|
|
N
|
A:GLU167
|
4.5
|
15.9
|
1.0
|
|
N
|
A:SER177
|
4.5
|
13.7
|
1.0
|
|
CB
|
A:ASP219
|
4.6
|
15.2
|
1.0
|
|
CA
|
A:ILE221
|
4.7
|
11.9
|
1.0
|
|
CA
|
A:SER177
|
4.8
|
13.0
|
0.3
|
|
CA
|
A:SER177
|
4.8
|
12.9
|
0.7
|
|
CD1
|
A:ILE221
|
4.8
|
12.7
|
1.0
|
|
CA
|
A:LEU174
|
4.9
|
15.7
|
1.0
|
|
CA
|
A:ASP219
|
4.9
|
16.1
|
1.0
|
|
C
|
A:PHE166
|
5.0
|
14.5
|
1.0
|
|
CB
|
A:SER177
|
5.0
|
12.8
|
0.3
|
|
Calcium binding site 5 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 5 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca716
b:8.6
occ:0.91
|
OD1
|
A:ASP644
|
2.3
|
10.1
|
1.0
|
|
O
|
A:ALA259
|
2.3
|
11.2
|
1.0
|
|
O
|
A:GLY641
|
2.3
|
11.1
|
1.0
|
|
O
|
A:THR257
|
2.3
|
9.4
|
1.0
|
|
O
|
A:TYR643
|
2.3
|
8.1
|
1.0
|
|
OD2
|
A:ASP261
|
2.3
|
9.8
|
1.0
|
|
C
|
A:TYR643
|
3.3
|
9.1
|
1.0
|
|
C
|
A:THR257
|
3.5
|
10.8
|
1.0
|
|
C
|
A:GLY641
|
3.5
|
11.2
|
1.0
|
|
CG
|
A:ASP644
|
3.5
|
10.7
|
1.0
|
|
CG
|
A:ASP261
|
3.5
|
9.9
|
1.0
|
|
C
|
A:ALA259
|
3.5
|
10.5
|
1.0
|
|
N
|
A:THR257
|
3.8
|
11.2
|
1.0
|
|
N
|
A:GLY641
|
4.0
|
11.7
|
1.0
|
|
N
|
A:ASP644
|
4.0
|
8.7
|
1.0
|
|
N
|
A:ALA259
|
4.0
|
10.6
|
1.0
|
|
CA
|
A:ASP644
|
4.1
|
9.2
|
1.0
|
|
C
|
A:ALA258
|
4.1
|
10.2
|
1.0
|
|
N
|
A:ASP261
|
4.2
|
8.7
|
1.0
|
|
CA
|
A:GLY641
|
4.2
|
11.8
|
1.0
|
|
N
|
A:TYR643
|
4.2
|
9.5
|
1.0
|
|
CA
|
A:THR257
|
4.3
|
10.6
|
1.0
|
|
C
|
A:SER642
|
4.3
|
9.9
|
1.0
|
|
CB
|
A:ASP261
|
4.3
|
9.8
|
1.0
|
|
CB
|
A:ASP644
|
4.3
|
9.1
|
1.0
|
|
CA
|
A:TYR643
|
4.4
|
9.1
|
1.0
|
|
OD1
|
A:ASP261
|
4.4
|
10.2
|
1.0
|
|
N
|
A:ALA258
|
4.4
|
11.0
|
1.0
|
|
CA
|
A:ALA259
|
4.4
|
10.0
|
1.0
|
|
OD2
|
A:ASP644
|
4.4
|
11.5
|
1.0
|
|
N
|
A:ASN260
|
4.4
|
10.0
|
1.0
|
|
CA
|
A:GLY256
|
4.5
|
13.4
|
1.0
|
|
OG1
|
A:THR257
|
4.5
|
10.8
|
1.0
|
|
CA
|
A:ASN260
|
4.5
|
10.3
|
1.0
|
|
N
|
A:SER642
|
4.5
|
10.9
|
1.0
|
|
CA
|
A:ALA258
|
4.5
|
11.2
|
1.0
|
|
C
|
A:ALA640
|
4.5
|
12.7
|
1.0
|
|
O
|
A:ALA258
|
4.5
|
11.9
|
1.0
|
|
C
|
A:GLY256
|
4.6
|
12.3
|
1.0
|
|
O
|
A:SER642
|
4.6
|
10.8
|
1.0
|
|
CB
|
A:ALA640
|
4.7
|
12.8
|
1.0
|
|
C
|
A:ASN260
|
4.7
|
10.4
|
1.0
|
|
CA
|
A:SER642
|
4.9
|
11.0
|
1.0
|
|
CA
|
A:ASP261
|
4.9
|
9.5
|
1.0
|
|
Calcium binding site 6 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 6 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca717
b:8.7
occ:0.94
|
O
|
A:SER313
|
2.2
|
9.8
|
1.0
|
|
O
|
A:GLY290
|
2.2
|
12.6
|
1.0
|
|
OD1
|
A:ASP293
|
2.3
|
10.2
|
1.0
|
|
O
|
A:GLY315
|
2.3
|
11.9
|
1.0
|
|
OE2
|
A:GLU317
|
2.3
|
9.8
|
1.0
|
|
O
|
A:ARG292
|
2.4
|
8.7
|
1.0
|
|
C
|
A:ARG292
|
3.3
|
9.1
|
1.0
|
|
C
|
A:GLY290
|
3.5
|
11.4
|
1.0
|
|
C
|
A:SER313
|
3.5
|
10.6
|
1.0
|
|
C
|
A:GLY315
|
3.5
|
11.0
|
1.0
|
|
CD
|
A:GLU317
|
3.5
|
9.3
|
1.0
|
|
CG
|
A:ASP293
|
3.5
|
9.7
|
1.0
|
|
N
|
A:SER313
|
3.8
|
10.4
|
1.0
|
|
N
|
A:ASP293
|
3.9
|
9.1
|
1.0
|
|
CA
|
A:ASP293
|
3.9
|
9.5
|
1.0
|
|
N
|
A:GLY290
|
4.1
|
12.0
|
1.0
|
|
N
|
A:ARG292
|
4.1
|
9.6
|
1.0
|
|
N
|
A:GLY315
|
4.2
|
11.6
|
1.0
|
|
OE1
|
A:GLU317
|
4.2
|
9.9
|
1.0
|
|
C
|
A:ALA291
|
4.2
|
9.8
|
1.0
|
|
C
|
A:THR314
|
4.3
|
12.4
|
1.0
|
|
CB
|
A:ASP293
|
4.3
|
9.5
|
1.0
|
|
CA
|
A:GLY290
|
4.3
|
11.3
|
1.0
|
|
CA
|
A:SER313
|
4.3
|
11.4
|
1.0
|
|
O
|
A:ALA291
|
4.3
|
10.5
|
1.0
|
|
N
|
A:THR316
|
4.3
|
10.2
|
1.0
|
|
CA
|
A:ARG292
|
4.4
|
8.8
|
1.0
|
|
N
|
A:THR314
|
4.4
|
12.2
|
1.0
|
|
CA
|
A:THR316
|
4.4
|
9.6
|
1.0
|
|
OG
|
A:SER313
|
4.4
|
10.6
|
1.0
|
|
N
|
A:ALA291
|
4.5
|
10.3
|
1.0
|
|
CA
|
A:GLY315
|
4.5
|
10.7
|
1.0
|
|
OD2
|
A:ASP293
|
4.5
|
9.4
|
1.0
|
|
CA
|
A:THR314
|
4.5
|
12.7
|
1.0
|
|
CG
|
A:GLU317
|
4.5
|
8.2
|
1.0
|
|
N
|
A:GLU317
|
4.6
|
8.4
|
1.0
|
|
CB
|
A:ALA291
|
4.6
|
12.2
|
1.0
|
|
CA
|
A:ALA291
|
4.6
|
11.2
|
1.0
|
|
O
|
A:THR314
|
4.6
|
15.4
|
1.0
|
|
C
|
A:GLY312
|
4.8
|
10.9
|
1.0
|
|
CA
|
A:GLY312
|
4.8
|
10.0
|
1.0
|
|
C
|
A:ILE289
|
4.8
|
12.7
|
1.0
|
|
C
|
A:THR316
|
4.8
|
9.2
|
1.0
|
|
CB
|
A:ILE289
|
4.9
|
11.3
|
1.0
|
|
CB
|
A:SER313
|
5.0
|
11.5
|
1.0
|
|
Calcium binding site 7 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 7 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca718
b:12.5
occ:0.66
|
OD1
|
A:ASP415
|
2.2
|
18.5
|
1.0
|
|
O
|
A:THR437
|
2.3
|
13.1
|
1.0
|
|
O
|
A:THR414
|
2.3
|
13.4
|
1.0
|
|
OD2
|
A:ASP439
|
2.4
|
13.3
|
1.0
|
|
O
|
A:THR435
|
2.4
|
14.7
|
1.0
|
|
CG
|
A:ASP439
|
3.3
|
11.9
|
1.0
|
|
CG
|
A:ASP415
|
3.3
|
18.0
|
1.0
|
|
C
|
A:THR414
|
3.4
|
13.0
|
1.0
|
|
C
|
A:THR435
|
3.4
|
14.1
|
1.0
|
|
C
|
A:THR437
|
3.5
|
12.0
|
1.0
|
|
OG
|
A:SER413
|
3.6
|
28.2
|
1.0
|
|
N
|
A:THR435
|
3.7
|
14.0
|
1.0
|
|
CA
|
A:ASP415
|
3.8
|
12.7
|
1.0
|
|
N
|
A:ASP415
|
3.9
|
13.3
|
1.0
|
|
N
|
A:THR437
|
4.0
|
14.2
|
1.0
|
|
OG1
|
A:THR435
|
4.0
|
12.7
|
1.0
|
|
OD1
|
A:ASP439
|
4.0
|
12.9
|
1.0
|
|
N
|
A:ASP439
|
4.0
|
10.9
|
1.0
|
|
CB
|
A:ASP415
|
4.1
|
16.2
|
1.0
|
|
CA
|
A:THR435
|
4.1
|
13.4
|
1.0
|
|
CB
|
A:ASP439
|
4.2
|
12.7
|
1.0
|
|
CB
|
A:SER413
|
4.2
|
23.4
|
1.0
|
|
OD2
|
A:ASP415
|
4.2
|
24.3
|
1.0
|
|
C
|
A:ILE436
|
4.3
|
17.4
|
1.0
|
|
CA
|
A:THR437
|
4.4
|
12.7
|
1.0
|
|
C
|
A:LEU438
|
4.5
|
12.5
|
1.0
|
|
N
|
A:ILE436
|
4.5
|
14.5
|
1.0
|
|
N
|
A:LEU438
|
4.5
|
13.6
|
1.0
|
|
N
|
A:THR414
|
4.5
|
17.3
|
1.0
|
|
CA
|
A:THR414
|
4.6
|
15.4
|
1.0
|
|
C
|
A:GLY434
|
4.6
|
15.8
|
1.0
|
|
CA
|
A:LEU438
|
4.7
|
14.8
|
1.0
|
|
CA
|
A:ASP439
|
4.7
|
12.1
|
1.0
|
|
CA
|
A:ILE436
|
4.7
|
17.2
|
1.0
|
|
CB
|
A:THR435
|
4.8
|
12.8
|
1.0
|
|
C
|
A:SER413
|
4.8
|
19.6
|
1.0
|
|
CA
|
A:GLY434
|
4.8
|
13.4
|
1.0
|
|
O
|
A:ILE436
|
4.9
|
19.2
|
1.0
|
|
Calcium binding site 8 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 8 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca719
b:9.9
occ:0.66
|
O
|
A:ASN496
|
2.3
|
12.0
|
1.0
|
|
OD2
|
A:ASP498
|
2.3
|
11.1
|
1.0
|
|
O
|
A:TYR473
|
2.4
|
9.0
|
1.0
|
|
O
|
A:HOH1073
|
2.4
|
12.4
|
1.0
|
|
O
|
A:THR494
|
2.4
|
13.0
|
1.0
|
|
OD1
|
A:ASP474
|
2.4
|
10.4
|
1.0
|
|
O
|
A:HOH817
|
3.2
|
13.0
|
1.0
|
|
C
|
A:TYR473
|
3.3
|
8.6
|
1.0
|
|
CG
|
A:ASP498
|
3.4
|
11.6
|
1.0
|
|
C
|
A:THR494
|
3.5
|
14.3
|
1.0
|
|
C
|
A:ASN496
|
3.6
|
10.2
|
1.0
|
|
CG
|
A:ASP474
|
3.6
|
11.7
|
1.0
|
|
N
|
A:THR494
|
3.6
|
12.9
|
1.0
|
|
CA
|
A:ASP474
|
3.9
|
9.6
|
1.0
|
|
N
|
A:ASP474
|
3.9
|
10.6
|
1.0
|
|
N
|
A:ASP498
|
3.9
|
9.8
|
1.0
|
|
OG1
|
A:THR494
|
4.1
|
13.2
|
1.0
|
|
OD1
|
A:ASP498
|
4.1
|
11.7
|
1.0
|
|
N
|
A:ASN496
|
4.1
|
12.3
|
1.0
|
|
CA
|
A:THR494
|
4.2
|
13.5
|
1.0
|
|
C
|
A:PRO495
|
4.2
|
13.2
|
1.0
|
|
CB
|
A:ASP498
|
4.3
|
10.8
|
1.0
|
|
CA
|
A:GLY493
|
4.3
|
12.9
|
1.0
|
|
O
|
A:GLU472
|
4.3
|
11.9
|
1.0
|
|
CB
|
A:ASP474
|
4.3
|
10.4
|
1.0
|
|
C
|
A:TYR497
|
4.3
|
9.4
|
1.0
|
|
C
|
A:GLY493
|
4.4
|
13.7
|
1.0
|
|
CA
|
A:TYR497
|
4.4
|
9.6
|
1.0
|
|
N
|
A:TYR497
|
4.4
|
10.1
|
1.0
|
|
N
|
A:PRO495
|
4.4
|
14.2
|
1.0
|
|
CA
|
A:TYR473
|
4.5
|
10.1
|
1.0
|
|
C
|
A:GLU472
|
4.5
|
12.0
|
1.0
|
|
N
|
A:TYR473
|
4.5
|
10.5
|
1.0
|
|
CA
|
A:ASN496
|
4.5
|
12.2
|
1.0
|
|
CA
|
A:PRO495
|
4.6
|
14.3
|
1.0
|
|
OD1
|
A:ASN466
|
4.6
|
14.5
|
1.0
|
|
OD2
|
A:ASP474
|
4.6
|
12.7
|
1.0
|
|
O
|
A:PRO495
|
4.6
|
14.3
|
1.0
|
|
CA
|
A:ASP498
|
4.7
|
9.8
|
1.0
|
|
CB
|
A:THR494
|
4.8
|
14.8
|
1.0
|
|
CB
|
A:GLU472
|
4.8
|
12.4
|
1.0
|
|
Calcium binding site 9 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 9 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca720
b:10.6
occ:0.97
|
O
|
A:THR550
|
2.2
|
11.6
|
1.0
|
|
O
|
A:TYR529
|
2.3
|
9.7
|
1.0
|
|
O
|
A:GLY527
|
2.3
|
12.4
|
1.0
|
|
OD2
|
A:ASP554
|
2.3
|
9.8
|
1.0
|
|
O
|
A:GLU552
|
2.3
|
12.0
|
1.0
|
|
OD1
|
A:ASP530
|
2.3
|
12.3
|
1.0
|
|
C
|
A:TYR529
|
3.3
|
10.2
|
1.0
|
|
C
|
A:THR550
|
3.4
|
12.7
|
1.0
|
|
CG
|
A:ASP554
|
3.5
|
10.9
|
1.0
|
|
C
|
A:GLU552
|
3.5
|
12.1
|
1.0
|
|
C
|
A:GLY527
|
3.6
|
13.1
|
1.0
|
|
CG
|
A:ASP530
|
3.6
|
12.3
|
1.0
|
|
N
|
A:THR550
|
3.8
|
12.8
|
1.0
|
|
N
|
A:ASP530
|
4.0
|
10.3
|
1.0
|
|
N
|
A:GLU552
|
4.0
|
14.4
|
1.0
|
|
CA
|
A:ASP530
|
4.0
|
10.5
|
1.0
|
|
N
|
A:ASP554
|
4.1
|
10.7
|
1.0
|
|
N
|
A:GLY527
|
4.2
|
13.2
|
1.0
|
|
N
|
A:TYR529
|
4.2
|
11.0
|
1.0
|
|
C
|
A:SER551
|
4.2
|
14.0
|
1.0
|
|
CA
|
A:THR550
|
4.2
|
12.3
|
1.0
|
|
C
|
A:SER528
|
4.2
|
12.9
|
1.0
|
|
OD1
|
A:ASP554
|
4.3
|
10.4
|
1.0
|
|
OG1
|
A:THR550
|
4.3
|
12.8
|
1.0
|
|
CA
|
A:GLY527
|
4.3
|
13.1
|
1.0
|
|
CB
|
A:ASP554
|
4.4
|
11.0
|
1.0
|
|
CB
|
A:ASP530
|
4.4
|
10.4
|
1.0
|
|
CA
|
A:GLY549
|
4.4
|
12.7
|
1.0
|
|
CA
|
A:TYR529
|
4.4
|
10.3
|
1.0
|
|
N
|
A:SER551
|
4.4
|
13.4
|
1.0
|
|
C
|
A:GLY549
|
4.4
|
13.2
|
1.0
|
|
CA
|
A:GLU552
|
4.4
|
12.6
|
1.0
|
|
N
|
A:ASP553
|
4.5
|
11.9
|
1.0
|
|
OD2
|
A:ASP530
|
4.5
|
12.4
|
1.0
|
|
CB
|
A:SER528
|
4.5
|
13.4
|
1.0
|
|
N
|
A:SER528
|
4.5
|
12.8
|
1.0
|
|
O
|
A:SER528
|
4.5
|
12.0
|
1.0
|
|
CA
|
A:ASP553
|
4.6
|
12.0
|
1.0
|
|
CA
|
A:SER551
|
4.6
|
15.2
|
1.0
|
|
O
|
A:SER551
|
4.7
|
14.6
|
1.0
|
|
C
|
A:ASP553
|
4.7
|
11.6
|
1.0
|
|
CA
|
A:SER528
|
4.7
|
12.7
|
1.0
|
|
C
|
A:ALA526
|
4.7
|
14.2
|
1.0
|
|
CB
|
A:ALA526
|
4.7
|
13.3
|
1.0
|
|
CA
|
A:ASP554
|
4.9
|
11.0
|
1.0
|
|
OD1
|
A:ASN525
|
4.9
|
17.2
|
1.0
|
|
CB
|
A:THR550
|
4.9
|
13.7
|
1.0
|
|
Calcium binding site 10 out
of 10 in 7roo
Go back to
Calcium Binding Sites List in 7roo
Calcium binding site 10 out
of 10 in the Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide
 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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca721
b:10.1
occ:1.00
|
O
|
A:THR608
|
2.3
|
10.0
|
1.0
|
|
OD2
|
A:ASP612
|
2.3
|
10.0
|
1.0
|
|
OD1
|
A:ASP588
|
2.3
|
10.7
|
1.0
|
|
O
|
A:GLY585
|
2.3
|
10.5
|
1.0
|
|
O
|
A:ASP610
|
2.4
|
9.2
|
1.0
|
|
O
|
A:TYR587
|
2.4
|
9.1
|
1.0
|
|
C
|
A:TYR587
|
3.3
|
8.8
|
1.0
|
|
CG
|
A:ASP612
|
3.3
|
9.3
|
1.0
|
|
C
|
A:THR608
|
3.5
|
10.9
|
1.0
|
|
CG
|
A:ASP588
|
3.5
|
9.8
|
1.0
|
|
C
|
A:GLY585
|
3.5
|
12.2
|
1.0
|
|
C
|
A:ASP610
|
3.6
|
10.5
|
1.0
|
|
CA
|
A:ASP588
|
3.8
|
8.5
|
1.0
|
|
N
|
A:THR608
|
3.8
|
11.5
|
1.0
|
|
N
|
A:ASP588
|
3.9
|
9.4
|
1.0
|
|
N
|
A:ASP612
|
4.0
|
8.5
|
1.0
|
|
OD1
|
A:ASP612
|
4.0
|
10.3
|
1.0
|
|
N
|
A:ASP610
|
4.1
|
11.5
|
1.0
|
|
N
|
A:GLY585
|
4.1
|
11.0
|
1.0
|
|
C
|
A:PRO609
|
4.2
|
11.8
|
1.0
|
|
CB
|
A:ASP588
|
4.2
|
9.2
|
1.0
|
|
OG1
|
A:THR608
|
4.3
|
11.5
|
1.0
|
|
CA
|
A:THR608
|
4.3
|
11.6
|
1.0
|
|
CB
|
A:ASP612
|
4.3
|
8.8
|
1.0
|
|
CA
|
A:GLY585
|
4.3
|
11.6
|
1.0
|
|
N
|
A:TYR587
|
4.4
|
10.1
|
1.0
|
|
C
|
A:TYR611
|
4.4
|
9.2
|
1.0
|
|
C
|
A:SER586
|
4.4
|
10.6
|
1.0
|
|
N
|
A:TYR611
|
4.4
|
9.6
|
1.0
|
|
N
|
A:PRO609
|
4.4
|
10.9
|
1.0
|
|
CB
|
A:SER586
|
4.5
|
11.9
|
1.0
|
|
CA
|
A:ASP610
|
4.5
|
12.0
|
1.0
|
|
CA
|
A:TYR611
|
4.5
|
9.2
|
1.0
|
|
CA
|
A:TYR587
|
4.5
|
9.7
|
1.0
|
|
OD2
|
A:ASP588
|
4.5
|
11.0
|
1.0
|
|
CA
|
A:PRO609
|
4.5
|
12.3
|
1.0
|
|
N
|
A:SER586
|
4.5
|
11.3
|
1.0
|
|
O
|
A:PRO609
|
4.6
|
13.2
|
1.0
|
|
C
|
A:GLY607
|
4.6
|
12.1
|
1.0
|
|
CB
|
A:ALA584
|
4.6
|
12.7
|
1.0
|
|
C
|
A:ALA584
|
4.7
|
11.0
|
1.0
|
|
CA
|
A:SER586
|
4.7
|
10.9
|
1.0
|
|
O
|
A:SER586
|
4.7
|
11.0
|
1.0
|
|
CA
|
A:ASP612
|
4.8
|
8.5
|
1.0
|
|
CA
|
A:GLY607
|
4.8
|
12.6
|
1.0
|
|
CB
|
A:THR608
|
5.0
|
11.4
|
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: Fri Jul 19 03:48:07 2024
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