Calcium in PDB 7fh7: Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
Protein crystallography data
The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F, PDB code: 7fh7
was solved by
H.Q.Wang,
Z.Wei,
Z.Xiang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
30.30 /
1.42
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.61,
78.37,
127,
90,
90,
90
|
|
R / Rfree (%)
|
13.5 /
17.9
|
Other elements in 7fh7:
The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Calcium atom in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
(pdb code 7fh7). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F, PDB code: 7fh7:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 1 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1007
b:12.6
occ:1.00
|
O
|
A:SER86
|
2.3
|
11.4
|
1.0
|
|
OD2
|
A:ASP88
|
2.3
|
13.0
|
1.0
|
|
O
|
A:THR84
|
2.3
|
14.2
|
1.0
|
|
O
|
A:HIS106
|
2.3
|
13.7
|
1.0
|
|
O
|
A:GLY104
|
2.3
|
13.6
|
1.0
|
|
OD1
|
A:ASP109
|
2.4
|
13.4
|
1.0
|
|
CG
|
A:ASP109
|
3.1
|
12.0
|
1.0
|
|
OD2
|
A:ASP109
|
3.1
|
13.3
|
1.0
|
|
CG
|
A:ASP88
|
3.4
|
11.8
|
1.0
|
|
C
|
A:THR84
|
3.5
|
12.7
|
1.0
|
|
C
|
A:SER86
|
3.5
|
11.2
|
1.0
|
|
C
|
A:GLY104
|
3.5
|
13.3
|
1.0
|
|
C
|
A:HIS106
|
3.6
|
13.3
|
1.0
|
|
N
|
A:THR84
|
4.0
|
13.5
|
1.0
|
|
C
|
A:ARG105
|
4.0
|
13.3
|
1.0
|
|
N
|
A:SER86
|
4.0
|
13.5
|
1.0
|
|
N
|
A:HIS106
|
4.1
|
13.1
|
1.0
|
|
CB
|
A:ASP88
|
4.1
|
11.5
|
1.0
|
|
N
|
A:ASP88
|
4.1
|
11.7
|
1.0
|
|
C
|
A:VAL85
|
4.1
|
12.4
|
1.0
|
|
O
|
A:ARG105
|
4.1
|
14.2
|
1.0
|
|
OD1
|
A:ASP88
|
4.2
|
12.9
|
1.0
|
|
CA
|
A:THR84
|
4.3
|
12.3
|
1.0
|
|
CA
|
A:GLY104
|
4.3
|
12.3
|
1.0
|
|
N
|
A:VAL85
|
4.4
|
14.4
|
1.0
|
|
CA
|
A:SER86
|
4.4
|
13.3
|
1.0
|
|
CA
|
A:VAL85
|
4.4
|
12.0
|
1.0
|
|
CA
|
A:HIS106
|
4.4
|
12.7
|
1.0
|
|
N
|
A:ARG105
|
4.4
|
12.8
|
1.0
|
|
N
|
A:SER87
|
4.4
|
12.2
|
1.0
|
|
O
|
A:VAL85
|
4.5
|
12.8
|
1.0
|
|
OG1
|
A:THR84
|
4.5
|
13.1
|
1.0
|
|
N
|
A:GLY107
|
4.5
|
13.4
|
1.0
|
|
CB
|
A:ASP109
|
4.5
|
11.4
|
1.0
|
|
CA
|
A:ARG105
|
4.5
|
12.9
|
1.0
|
|
CA
|
A:SER87
|
4.5
|
13.0
|
1.0
|
|
CA
|
A:GLY107
|
4.6
|
14.5
|
1.0
|
|
CB
|
A:LEU83
|
4.6
|
13.0
|
1.0
|
|
CB
|
A:ARG105
|
4.6
|
13.4
|
1.0
|
|
CA
|
A:ASP88
|
4.7
|
11.7
|
1.0
|
|
CA
|
A:CA1008
|
4.8
|
12.9
|
1.0
|
|
O
|
A:GLY107
|
4.8
|
13.0
|
1.0
|
|
C
|
A:SER87
|
4.8
|
12.0
|
1.0
|
|
C
|
A:LEU83
|
4.8
|
13.6
|
1.0
|
|
C
|
A:GLY107
|
4.8
|
14.1
|
1.0
|
|
Calcium binding site 2 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 2 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1008
b:12.9
occ:1.00
|
OD2
|
A:ASP109
|
2.3
|
13.3
|
1.0
|
|
O
|
A:ARG105
|
2.3
|
14.2
|
1.0
|
|
OD1
|
A:ASP132
|
2.3
|
15.7
|
1.0
|
|
OD1
|
A:ASP153
|
2.3
|
14.1
|
1.0
|
|
O
|
A:GLY131
|
2.4
|
12.8
|
1.0
|
|
O
|
A:GLY107
|
2.4
|
13.0
|
1.0
|
|
CG
|
A:ASP153
|
3.2
|
13.8
|
1.0
|
|
OD2
|
A:ASP153
|
3.3
|
15.8
|
1.0
|
|
CG
|
A:ASP132
|
3.4
|
16.6
|
1.0
|
|
C
|
A:GLY131
|
3.4
|
13.8
|
1.0
|
|
CG
|
A:ASP109
|
3.4
|
12.0
|
1.0
|
|
C
|
A:ARG105
|
3.5
|
13.3
|
1.0
|
|
C
|
A:GLY107
|
3.6
|
14.1
|
1.0
|
|
CA
|
A:ASP132
|
3.8
|
15.2
|
1.0
|
|
C
|
A:HIS106
|
3.8
|
13.3
|
1.0
|
|
O
|
A:HIS106
|
3.9
|
13.7
|
1.0
|
|
N
|
A:ASP132
|
4.0
|
13.3
|
1.0
|
|
N
|
A:GLY107
|
4.0
|
13.4
|
1.0
|
|
C
|
A:GLY104
|
4.1
|
13.3
|
1.0
|
|
CB
|
A:ASP109
|
4.1
|
11.4
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
16.2
|
1.0
|
|
N
|
A:ASP109
|
4.2
|
13.2
|
1.0
|
|
OD2
|
A:ASP132
|
4.2
|
17.2
|
1.0
|
|
N
|
A:ARG105
|
4.3
|
12.8
|
1.0
|
|
OD1
|
A:ASP109
|
4.3
|
13.4
|
1.0
|
|
CA
|
A:HIS106
|
4.3
|
12.7
|
1.0
|
|
O
|
A:GLY104
|
4.3
|
13.6
|
1.0
|
|
CA
|
A:GLY107
|
4.4
|
14.5
|
1.0
|
|
N
|
A:HIS106
|
4.4
|
13.1
|
1.0
|
|
CB
|
A:TRP151
|
4.5
|
15.5
|
1.0
|
|
CA
|
A:GLY131
|
4.5
|
12.9
|
1.0
|
|
CA
|
A:GLY104
|
4.5
|
12.3
|
1.0
|
|
CA
|
A:ARG105
|
4.5
|
12.9
|
1.0
|
|
CB
|
A:ASP153
|
4.6
|
13.8
|
1.0
|
|
N
|
A:SER108
|
4.6
|
13.2
|
1.0
|
|
CA
|
A:CA1007
|
4.8
|
12.6
|
1.0
|
|
CA
|
A:SER108
|
4.8
|
13.8
|
1.0
|
|
CA
|
A:ASP109
|
4.8
|
11.9
|
1.0
|
|
CE3
|
A:TRP151
|
5.0
|
16.7
|
1.0
|
|
C
|
A:SER108
|
5.0
|
13.6
|
1.0
|
|
Calcium binding site 3 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 3 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1009
b:16.1
occ:1.00
|
O
|
A:TRP151
|
2.2
|
15.5
|
1.0
|
|
OD2
|
A:ASP132
|
2.3
|
17.2
|
1.0
|
|
OD2
|
A:ASP153
|
2.3
|
15.8
|
1.0
|
|
OE2
|
A:GLU187
|
2.3
|
18.9
|
0.6
|
|
O
|
A:HOH1328
|
2.4
|
19.6
|
1.0
|
|
OD1
|
A:ASP188
|
2.4
|
15.9
|
1.0
|
|
CG
|
A:ASP188
|
3.3
|
16.2
|
1.0
|
|
CG
|
A:ASP132
|
3.3
|
16.6
|
1.0
|
|
CD
|
A:GLU187
|
3.3
|
21.8
|
0.6
|
|
OD2
|
A:ASP188
|
3.4
|
18.1
|
1.0
|
|
CG
|
A:ASP153
|
3.4
|
13.8
|
1.0
|
|
C
|
A:TRP151
|
3.5
|
15.2
|
1.0
|
|
N
|
A:ASP153
|
3.8
|
13.3
|
1.0
|
|
OD1
|
A:ASP132
|
3.9
|
15.7
|
1.0
|
|
N
|
A:TRP151
|
4.0
|
14.9
|
1.0
|
|
CG
|
A:GLU187
|
4.0
|
23.2
|
0.6
|
|
CB
|
A:ASP153
|
4.1
|
13.8
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
16.2
|
1.0
|
|
OE1
|
A:GLU187
|
4.2
|
21.4
|
0.6
|
|
CA
|
A:TRP151
|
4.3
|
14.2
|
1.0
|
|
OD1
|
A:ASP153
|
4.4
|
14.1
|
1.0
|
|
N
|
A:SER152
|
4.4
|
16.0
|
1.0
|
|
CA
|
A:SER152
|
4.5
|
15.4
|
0.5
|
|
CA
|
A:SER152
|
4.5
|
15.8
|
0.5
|
|
C
|
A:SER152
|
4.5
|
15.5
|
1.0
|
|
N
|
A:ASP132
|
4.5
|
13.3
|
1.0
|
|
CA
|
A:ASP153
|
4.6
|
13.8
|
1.0
|
|
C
|
A:GLY131
|
4.6
|
13.8
|
1.0
|
|
CB
|
A:SER150
|
4.7
|
22.0
|
1.0
|
|
O
|
A:HOH1556
|
4.7
|
31.7
|
1.0
|
|
CB
|
A:ASP188
|
4.7
|
15.5
|
1.0
|
|
OE1
|
A:GLU187
|
4.8
|
25.6
|
0.4
|
|
CA
|
A:GLY131
|
4.9
|
12.9
|
1.0
|
|
OD2
|
A:ASP182
|
5.0
|
16.7
|
1.0
|
|
CA
|
A:ASP132
|
5.0
|
15.2
|
1.0
|
|
CB
|
A:TRP151
|
5.0
|
15.5
|
1.0
|
|
Calcium binding site 4 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 4 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1010
b:19.4
occ:1.00
|
OE2
|
A:GLU167
|
2.3
|
22.5
|
1.0
|
|
O
|
A:TYR165
|
2.3
|
18.1
|
1.0
|
|
O
|
A:GLN176
|
2.3
|
18.8
|
1.0
|
|
O
|
A:LEU220
|
2.3
|
18.9
|
1.0
|
|
OD1
|
A:ASP219
|
2.3
|
21.9
|
1.0
|
|
O
|
A:GLY173
|
2.4
|
21.7
|
1.0
|
|
C
|
A:GLY173
|
3.3
|
22.0
|
1.0
|
|
C
|
A:GLN176
|
3.4
|
18.6
|
1.0
|
|
CD
|
A:GLU167
|
3.4
|
22.9
|
1.0
|
|
C
|
A:LEU220
|
3.4
|
19.0
|
1.0
|
|
CG
|
A:ASP219
|
3.5
|
22.1
|
1.0
|
|
C
|
A:TYR165
|
3.5
|
17.0
|
1.0
|
|
CA
|
A:GLY173
|
3.8
|
23.7
|
1.0
|
|
N
|
A:LEU220
|
3.9
|
21.6
|
1.0
|
|
OD2
|
A:ASP219
|
4.0
|
23.6
|
1.0
|
|
N
|
A:GLN176
|
4.1
|
21.7
|
1.0
|
|
CA
|
A:GLN176
|
4.1
|
19.8
|
1.0
|
|
CA
|
A:LEU220
|
4.1
|
20.1
|
1.0
|
|
OE1
|
A:GLU167
|
4.1
|
26.1
|
1.0
|
|
CB
|
A:GLN176
|
4.1
|
19.6
|
1.0
|
|
CB
|
A:TYR165
|
4.3
|
17.4
|
1.0
|
|
N
|
A:PHE166
|
4.4
|
16.8
|
1.0
|
|
CB
|
A:LEU220
|
4.4
|
19.6
|
1.0
|
|
N
|
A:GLU167
|
4.4
|
20.9
|
1.0
|
|
CA
|
A:PHE166
|
4.4
|
19.9
|
1.0
|
|
C
|
A:ASP219
|
4.4
|
21.6
|
1.0
|
|
N
|
A:LEU174
|
4.4
|
22.4
|
1.0
|
|
CA
|
A:TYR165
|
4.5
|
16.2
|
1.0
|
|
CG
|
A:GLU167
|
4.5
|
22.8
|
1.0
|
|
N
|
A:SER177
|
4.5
|
17.1
|
1.0
|
|
N
|
A:ILE221
|
4.5
|
18.9
|
1.0
|
|
CB
|
A:ASP219
|
4.7
|
22.3
|
1.0
|
|
CA
|
A:SER177
|
4.8
|
17.1
|
0.2
|
|
CD1
|
A:ILE221
|
4.8
|
17.0
|
1.0
|
|
CA
|
A:SER177
|
4.8
|
17.6
|
0.8
|
|
CA
|
A:ILE221
|
4.8
|
18.0
|
1.0
|
|
CA
|
A:LEU174
|
4.9
|
23.5
|
1.0
|
|
C
|
A:PHE166
|
4.9
|
21.0
|
1.0
|
|
CA
|
A:ASP219
|
4.9
|
22.3
|
1.0
|
|
CB
|
A:SER177
|
5.0
|
17.2
|
0.2
|
|
CB
|
A:SER177
|
5.0
|
17.6
|
0.8
|
|
Calcium binding site 5 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 5 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1011
b:11.2
occ:1.00
|
O
|
A:ALA259
|
2.2
|
12.7
|
1.0
|
|
OD1
|
A:ASP644
|
2.3
|
12.5
|
1.0
|
|
O
|
A:GLY641
|
2.3
|
15.4
|
1.0
|
|
O
|
A:THR257
|
2.3
|
13.0
|
1.0
|
|
OD2
|
A:ASP261
|
2.3
|
12.4
|
1.0
|
|
O
|
A:TYR643
|
2.4
|
11.5
|
1.0
|
|
C
|
A:TYR643
|
3.3
|
10.5
|
1.0
|
|
C
|
A:ALA259
|
3.5
|
11.9
|
1.0
|
|
C
|
A:GLY641
|
3.5
|
13.5
|
1.0
|
|
CG
|
A:ASP261
|
3.5
|
12.8
|
1.0
|
|
CG
|
A:ASP644
|
3.5
|
13.0
|
1.0
|
|
C
|
A:THR257
|
3.5
|
12.6
|
1.0
|
|
N
|
A:THR257
|
3.8
|
12.1
|
1.0
|
|
N
|
A:GLY641
|
3.9
|
13.5
|
1.0
|
|
N
|
A:ASP644
|
3.9
|
11.5
|
1.0
|
|
N
|
A:ASP261
|
4.0
|
11.6
|
1.0
|
|
CA
|
A:ASP644
|
4.0
|
10.1
|
1.0
|
|
N
|
A:ALA259
|
4.1
|
11.7
|
1.0
|
|
CA
|
A:GLY641
|
4.1
|
14.0
|
1.0
|
|
C
|
A:ALA258
|
4.2
|
12.4
|
1.0
|
|
OG
|
A:SER642
|
4.3
|
11.2
|
0.2
|
|
CA
|
A:THR257
|
4.3
|
11.7
|
1.0
|
|
N
|
A:TYR643
|
4.3
|
12.2
|
1.0
|
|
OD1
|
A:ASP261
|
4.3
|
12.8
|
1.0
|
|
CB
|
A:ASP261
|
4.3
|
11.3
|
1.0
|
|
CA
|
A:ASN260
|
4.3
|
11.2
|
1.0
|
|
CB
|
A:ASP644
|
4.4
|
11.0
|
1.0
|
|
N
|
A:ASN260
|
4.4
|
11.5
|
1.0
|
|
OD2
|
A:ASP644
|
4.4
|
13.5
|
1.0
|
|
CA
|
A:ALA259
|
4.4
|
11.8
|
1.0
|
|
OG1
|
A:THR257
|
4.4
|
12.7
|
1.0
|
|
CA
|
A:TYR643
|
4.4
|
11.8
|
1.0
|
|
O
|
A:ALA258
|
4.5
|
14.7
|
1.0
|
|
C
|
A:SER642
|
4.5
|
11.8
|
1.0
|
|
N
|
A:ALA258
|
4.5
|
13.1
|
1.0
|
|
C
|
A:ASN260
|
4.5
|
12.7
|
1.0
|
|
CA
|
A:GLY256
|
4.5
|
11.3
|
1.0
|
|
C
|
A:GLY256
|
4.6
|
12.6
|
1.0
|
|
C
|
A:ALA640
|
4.6
|
14.5
|
1.0
|
|
CA
|
A:ALA258
|
4.6
|
13.5
|
1.0
|
|
N
|
A:SER642
|
4.6
|
12.4
|
1.0
|
|
O
|
A:SER642
|
4.7
|
12.7
|
1.0
|
|
CA
|
A:ASP261
|
4.8
|
10.0
|
1.0
|
|
CB
|
A:ALA640
|
4.9
|
14.7
|
1.0
|
|
OD1
|
A:ASN639
|
5.0
|
12.7
|
1.0
|
|
CA
|
A:SER642
|
5.0
|
12.7
|
0.8
|
|
CA
|
A:SER642
|
5.0
|
11.9
|
0.2
|
|
Calcium binding site 6 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 6 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1012
b:13.2
occ:1.00
|
O
|
A:GLY315
|
2.3
|
14.6
|
1.0
|
|
OD1
|
A:ASP293
|
2.3
|
12.7
|
1.0
|
|
OE2
|
A:GLU317
|
2.3
|
12.6
|
1.0
|
|
O
|
A:GLY290
|
2.3
|
14.9
|
1.0
|
|
O
|
A:SER313
|
2.4
|
13.8
|
1.0
|
|
O
|
A:ARG292
|
2.4
|
12.9
|
1.0
|
|
C
|
A:ARG292
|
3.3
|
12.5
|
1.0
|
|
CD
|
A:GLU317
|
3.5
|
12.3
|
1.0
|
|
C
|
A:GLY315
|
3.5
|
14.0
|
1.0
|
|
CG
|
A:ASP293
|
3.5
|
11.4
|
1.0
|
|
C
|
A:SER313
|
3.5
|
13.4
|
1.0
|
|
C
|
A:GLY290
|
3.5
|
15.2
|
1.0
|
|
CA
|
A:ASP293
|
3.8
|
11.6
|
1.0
|
|
N
|
A:ASP293
|
3.8
|
11.2
|
1.0
|
|
N
|
A:SER313
|
3.9
|
15.1
|
1.0
|
|
N
|
A:GLY290
|
4.0
|
15.1
|
1.0
|
|
OE1
|
A:GLU317
|
4.1
|
13.6
|
1.0
|
|
C
|
A:THR314
|
4.2
|
15.5
|
1.0
|
|
N
|
A:GLY315
|
4.2
|
13.8
|
1.0
|
|
N
|
A:ARG292
|
4.2
|
12.3
|
1.0
|
|
CB
|
A:ASP293
|
4.2
|
12.3
|
1.0
|
|
CA
|
A:GLY290
|
4.3
|
15.3
|
1.0
|
|
C
|
A:ALA291
|
4.3
|
13.9
|
1.0
|
|
N
|
A:THR316
|
4.3
|
13.6
|
1.0
|
|
CA
|
A:THR316
|
4.3
|
13.8
|
1.0
|
|
CA
|
A:SER313
|
4.3
|
13.7
|
1.0
|
|
CA
|
A:ARG292
|
4.4
|
11.8
|
1.0
|
|
O
|
A:ALA291
|
4.5
|
15.6
|
1.0
|
|
CA
|
A:GLY315
|
4.5
|
14.0
|
1.0
|
|
N
|
A:THR314
|
4.5
|
13.7
|
1.0
|
|
OD2
|
A:ASP293
|
4.5
|
13.9
|
1.0
|
|
CG
|
A:GLU317
|
4.5
|
12.4
|
1.0
|
|
CA
|
A:THR314
|
4.5
|
15.2
|
1.0
|
|
N
|
A:GLU317
|
4.5
|
12.6
|
1.0
|
|
OG
|
A:SER313
|
4.5
|
13.7
|
1.0
|
|
N
|
A:ALA291
|
4.5
|
15.7
|
1.0
|
|
O
|
A:THR314
|
4.5
|
17.6
|
1.0
|
|
CB
|
A:ILE289
|
4.6
|
14.0
|
1.0
|
|
CB
|
A:ALA291
|
4.7
|
17.8
|
1.0
|
|
CA
|
A:ALA291
|
4.7
|
14.4
|
1.0
|
|
C
|
A:THR316
|
4.8
|
13.4
|
1.0
|
|
C
|
A:ILE289
|
4.8
|
14.9
|
1.0
|
|
C
|
A:GLY312
|
4.9
|
14.9
|
1.0
|
|
Calcium binding site 7 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 7 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1013
b:14.3
occ:1.00
|
O
|
A:GLY346
|
2.3
|
16.1
|
1.0
|
|
O
|
A:THR371
|
2.3
|
15.0
|
1.0
|
|
OD1
|
A:ASP349
|
2.3
|
16.3
|
1.0
|
|
OE1
|
A:GLU373
|
2.4
|
14.0
|
1.0
|
|
O
|
A:ASN348
|
2.4
|
14.9
|
1.0
|
|
O
|
A:THR369
|
2.4
|
16.3
|
1.0
|
|
C
|
A:ASN348
|
3.3
|
14.4
|
1.0
|
|
C
|
A:GLY346
|
3.5
|
16.6
|
1.0
|
|
CD
|
A:GLU373
|
3.5
|
14.2
|
1.0
|
|
C
|
A:THR371
|
3.5
|
15.2
|
1.0
|
|
C
|
A:THR369
|
3.5
|
16.5
|
1.0
|
|
CG
|
A:ASP349
|
3.5
|
16.4
|
1.0
|
|
N
|
A:THR369
|
3.7
|
15.8
|
1.0
|
|
CA
|
A:ASP349
|
3.9
|
12.6
|
1.0
|
|
N
|
A:ASP349
|
4.0
|
15.3
|
1.0
|
|
N
|
A:THR371
|
4.0
|
16.9
|
1.0
|
|
OE2
|
A:GLU373
|
4.1
|
16.1
|
1.0
|
|
N
|
A:GLY346
|
4.1
|
18.4
|
1.0
|
|
C
|
A:GLY347
|
4.1
|
17.0
|
1.0
|
|
N
|
A:ASN348
|
4.1
|
15.4
|
1.0
|
|
CA
|
A:THR369
|
4.2
|
15.9
|
1.0
|
|
CA
|
A:GLY346
|
4.2
|
17.2
|
1.0
|
|
N
|
A:GLU373
|
4.2
|
13.8
|
1.0
|
|
C
|
A:TYR370
|
4.3
|
16.6
|
1.0
|
|
CA
|
A:THR371
|
4.3
|
15.6
|
1.0
|
|
CB
|
A:ASP349
|
4.3
|
14.7
|
1.0
|
|
O
|
A:GLY347
|
4.3
|
19.5
|
1.0
|
|
OG1
|
A:THR369
|
4.4
|
15.5
|
1.0
|
|
CA
|
A:ASN348
|
4.4
|
14.8
|
1.0
|
|
OD2
|
A:ASP349
|
4.4
|
16.8
|
1.0
|
|
N
|
A:LEU372
|
4.5
|
14.2
|
1.0
|
|
N
|
A:GLY347
|
4.5
|
16.6
|
1.0
|
|
C
|
A:GLY368
|
4.5
|
16.7
|
1.0
|
|
CA
|
A:GLY368
|
4.5
|
17.4
|
1.0
|
|
CB
|
A:LYS345
|
4.5
|
21.6
|
1.0
|
|
CA
|
A:GLY347
|
4.5
|
16.2
|
1.0
|
|
N
|
A:TYR370
|
4.5
|
16.6
|
1.0
|
|
C
|
A:LYS345
|
4.6
|
19.8
|
1.0
|
|
CA
|
A:LEU372
|
4.6
|
14.0
|
0.5
|
|
CA
|
A:LEU372
|
4.6
|
14.0
|
0.5
|
|
CG
|
A:GLU373
|
4.6
|
13.8
|
1.0
|
|
C
|
A:LEU372
|
4.7
|
13.4
|
1.0
|
|
CB
|
A:GLU373
|
4.7
|
14.2
|
1.0
|
|
O
|
A:TYR370
|
4.7
|
16.5
|
1.0
|
|
CA
|
A:TYR370
|
4.8
|
17.4
|
1.0
|
|
O
|
A:HOH1117
|
4.8
|
36.0
|
1.0
|
|
CB
|
A:THR369
|
5.0
|
15.2
|
1.0
|
|
Calcium binding site 8 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 8 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1014
b:14.3
occ:1.00
|
OD2
|
A:ASP439
|
2.2
|
14.6
|
1.0
|
|
O
|
A:THR435
|
2.3
|
16.4
|
1.0
|
|
O
|
A:THR437
|
2.3
|
13.8
|
1.0
|
|
O
|
A:HOH1247
|
2.3
|
16.4
|
1.0
|
|
OD1
|
A:ASP415
|
2.3
|
14.1
|
1.0
|
|
O
|
A:THR414
|
2.3
|
14.3
|
1.0
|
|
C
|
A:THR414
|
3.3
|
13.9
|
1.0
|
|
CG
|
A:ASP439
|
3.4
|
14.4
|
1.0
|
|
C
|
A:THR435
|
3.4
|
16.4
|
1.0
|
|
C
|
A:THR437
|
3.5
|
13.4
|
1.0
|
|
CG
|
A:ASP415
|
3.5
|
15.8
|
1.0
|
|
N
|
A:THR435
|
3.8
|
14.5
|
1.0
|
|
CA
|
A:ASP415
|
3.9
|
13.3
|
1.0
|
|
N
|
A:ASP415
|
3.9
|
14.3
|
1.0
|
|
N
|
A:THR437
|
3.9
|
13.9
|
1.0
|
|
C
|
A:ILE436
|
4.0
|
15.9
|
1.0
|
|
N
|
A:ASP439
|
4.1
|
13.1
|
1.0
|
|
OG
|
A:SER413
|
4.2
|
15.6
|
1.0
|
|
OD1
|
A:ASP439
|
4.2
|
13.8
|
1.0
|
|
CA
|
A:THR435
|
4.2
|
15.1
|
1.0
|
|
CB
|
A:ASP439
|
4.2
|
12.6
|
1.0
|
|
OG1
|
A:THR435
|
4.3
|
15.6
|
1.0
|
|
CB
|
A:ASP415
|
4.3
|
14.0
|
1.0
|
|
CA
|
A:THR437
|
4.3
|
14.1
|
1.0
|
|
O
|
A:ILE436
|
4.3
|
17.1
|
1.0
|
|
N
|
A:ILE436
|
4.4
|
16.4
|
1.0
|
|
CB
|
A:GLN401
|
4.4
|
18.9
|
1.0
|
|
C
|
A:LEU438
|
4.5
|
13.6
|
1.0
|
|
OD2
|
A:ASP415
|
4.5
|
14.7
|
1.0
|
|
CA
|
A:ILE436
|
4.5
|
18.5
|
1.0
|
|
N
|
A:LEU438
|
4.5
|
14.3
|
1.0
|
|
CA
|
A:THR414
|
4.6
|
14.6
|
1.0
|
|
N
|
A:THR414
|
4.6
|
14.6
|
1.0
|
|
C
|
A:GLY434
|
4.6
|
14.8
|
1.0
|
|
CB
|
A:SER413
|
4.6
|
14.1
|
1.0
|
|
CA
|
A:LEU438
|
4.6
|
12.7
|
1.0
|
|
CG
|
A:GLN401
|
4.7
|
19.4
|
1.0
|
|
C
|
A:SER413
|
4.7
|
15.8
|
1.0
|
|
OD1
|
A:ASN400
|
4.7
|
16.5
|
1.0
|
|
O
|
A:SER413
|
4.7
|
16.6
|
1.0
|
|
CA
|
A:GLY434
|
4.8
|
14.3
|
1.0
|
|
CA
|
A:ASP439
|
4.8
|
12.1
|
1.0
|
|
CB
|
A:THR435
|
4.9
|
14.6
|
1.0
|
|
Calcium binding site 9 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 9 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1015
b:12.8
occ:1.00
|
OD2
|
A:ASP498
|
2.3
|
13.9
|
1.0
|
|
OD1
|
A:ASP474
|
2.3
|
14.2
|
1.0
|
|
O
|
A:ASN496
|
2.3
|
13.5
|
1.0
|
|
O
|
A:THR494
|
2.3
|
13.5
|
1.0
|
|
O
|
A:TYR473
|
2.3
|
12.3
|
1.0
|
|
O
|
A:HOH1168
|
2.4
|
16.3
|
1.0
|
|
C
|
A:TYR473
|
3.4
|
12.0
|
1.0
|
|
CG
|
A:ASP498
|
3.4
|
12.5
|
1.0
|
|
C
|
A:THR494
|
3.5
|
12.3
|
1.0
|
|
CG
|
A:ASP474
|
3.5
|
14.1
|
1.0
|
|
C
|
A:ASN496
|
3.5
|
12.5
|
1.0
|
|
N
|
A:THR494
|
3.7
|
14.4
|
1.0
|
|
CA
|
A:ASP474
|
3.9
|
11.6
|
1.0
|
|
N
|
A:ASP474
|
3.9
|
11.5
|
1.0
|
|
N
|
A:ASP498
|
4.0
|
12.4
|
1.0
|
|
N
|
A:ASN496
|
4.1
|
13.6
|
1.0
|
|
OG1
|
A:THR494
|
4.1
|
14.5
|
1.0
|
|
OD1
|
A:ASP498
|
4.2
|
13.2
|
1.0
|
|
CA
|
A:THR494
|
4.2
|
12.5
|
1.0
|
|
O
|
A:GLU472
|
4.2
|
15.0
|
1.0
|
|
C
|
A:PRO495
|
4.2
|
14.3
|
1.0
|
|
CB
|
A:ASP474
|
4.3
|
12.7
|
1.0
|
|
CB
|
A:ASP498
|
4.3
|
12.8
|
1.0
|
|
CA
|
A:GLY493
|
4.3
|
14.4
|
1.0
|
|
O
|
A:HOH1292
|
4.3
|
26.4
|
1.0
|
|
OD2
|
A:ASP474
|
4.4
|
14.2
|
1.0
|
|
C
|
A:GLY493
|
4.4
|
15.0
|
1.0
|
|
C
|
A:GLU472
|
4.4
|
12.9
|
1.0
|
|
C
|
A:TYR497
|
4.4
|
11.1
|
1.0
|
|
CA
|
A:TYR497
|
4.4
|
11.8
|
1.0
|
|
N
|
A:PRO495
|
4.4
|
12.8
|
1.0
|
|
N
|
A:TYR497
|
4.4
|
12.8
|
1.0
|
|
CA
|
A:ASN496
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:PRO495
|
4.5
|
14.6
|
1.0
|
|
N
|
A:TYR473
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:TYR473
|
4.6
|
13.1
|
1.0
|
|
OD1
|
A:ASN466
|
4.6
|
19.5
|
1.0
|
|
CB
|
A:GLU472
|
4.6
|
13.1
|
1.0
|
|
O
|
A:PRO495
|
4.7
|
15.0
|
1.0
|
|
CA
|
A:ASP498
|
4.8
|
11.6
|
1.0
|
|
CB
|
A:THR494
|
4.8
|
12.8
|
1.0
|
|
Calcium binding site 10 out
of 12 in 7fh7
Go back to
Calcium Binding Sites List in 7fh7
Calcium binding site 10 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Friedel-Crafts Alkylation Enzyme Cylk Mutant Y37F within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1016
b:12.0
occ:1.00
|
O
|
A:GLU552
|
2.3
|
13.0
|
1.0
|
|
OD2
|
A:ASP554
|
2.3
|
12.9
|
1.0
|
|
O
|
A:THR550
|
2.3
|
12.8
|
1.0
|
|
OD1
|
A:ASP530
|
2.3
|
11.9
|
1.0
|
|
O
|
A:GLY527
|
2.3
|
14.8
|
1.0
|
|
O
|
A:TYR529
|
2.3
|
11.4
|
1.0
|
|
C
|
A:TYR529
|
3.3
|
10.8
|
1.0
|
|
CG
|
A:ASP554
|
3.5
|
11.8
|
1.0
|
|
C
|
A:THR550
|
3.5
|
12.9
|
1.0
|
|
C
|
A:GLU552
|
3.5
|
11.2
|
1.0
|
|
C
|
A:GLY527
|
3.5
|
13.6
|
1.0
|
|
CG
|
A:ASP530
|
3.6
|
13.1
|
1.0
|
|
N
|
A:THR550
|
3.8
|
12.8
|
1.0
|
|
N
|
A:ASP530
|
4.0
|
11.8
|
1.0
|
|
CA
|
A:ASP530
|
4.0
|
11.9
|
1.0
|
|
N
|
A:GLU552
|
4.0
|
13.2
|
1.0
|
|
N
|
A:ASP554
|
4.1
|
11.1
|
1.0
|
|
N
|
A:GLY527
|
4.1
|
14.6
|
1.0
|
|
C
|
A:SER551
|
4.1
|
14.4
|
1.0
|
|
N
|
A:TYR529
|
4.2
|
12.1
|
1.0
|
|
C
|
A:SER528
|
4.2
|
13.7
|
1.0
|
|
CA
|
A:THR550
|
4.2
|
12.4
|
1.0
|
|
OD1
|
A:ASP554
|
4.3
|
11.8
|
1.0
|
|
CA
|
A:GLY527
|
4.3
|
13.1
|
1.0
|
|
CB
|
A:ASP554
|
4.3
|
11.6
|
1.0
|
|
OG1
|
A:THR550
|
4.3
|
13.9
|
1.0
|
|
CA
|
A:TYR529
|
4.4
|
10.2
|
1.0
|
|
CA
|
A:GLU552
|
4.4
|
13.2
|
1.0
|
|
CB
|
A:ASP530
|
4.4
|
11.1
|
1.0
|
|
N
|
A:ASP553
|
4.4
|
11.3
|
1.0
|
|
N
|
A:SER551
|
4.4
|
15.0
|
1.0
|
|
O
|
A:SER551
|
4.5
|
16.1
|
1.0
|
|
OD2
|
A:ASP530
|
4.5
|
14.0
|
1.0
|
|
CB
|
A:SER528
|
4.5
|
14.3
|
1.0
|
|
N
|
A:SER528
|
4.5
|
14.1
|
1.0
|
|
C
|
A:GLY549
|
4.5
|
13.2
|
1.0
|
|
CA
|
A:GLY549
|
4.5
|
12.8
|
1.0
|
|
O
|
A:SER528
|
4.6
|
14.5
|
1.0
|
|
CA
|
A:ASP553
|
4.6
|
11.2
|
1.0
|
|
CA
|
A:SER551
|
4.6
|
14.2
|
1.0
|
|
CA
|
A:SER528
|
4.6
|
14.0
|
1.0
|
|
C
|
A:ALA526
|
4.7
|
14.2
|
1.0
|
|
C
|
A:ASP553
|
4.7
|
11.0
|
1.0
|
|
CB
|
A:ALA526
|
4.7
|
16.1
|
1.0
|
|
OD1
|
A:ASN525
|
4.8
|
17.6
|
1.0
|
|
CA
|
A:ASP554
|
4.8
|
10.8
|
1.0
|
|
CB
|
A:THR550
|
5.0
|
13.0
|
1.0
|
|
Reference:
H.Q.Wang,
S.B.Mou,
W.Xiao,
H.Zhou,
X.D.Hou,
S.J.Wang,
Q.Wang,
J.Gao,
Z.Wei,
L.Liu,
Z.Xiang.
Structural Basis For the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis Acs Catal. V. 12 2108 2022.
DOI: 10.1021/ACSCATAL.1C04816
Page generated: Wed Jul 9 22:10:35 2025
|
