Calcium in PDB 7fh8: Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
Protein crystallography data
The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A, PDB code: 7fh8
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)
|
23.90 /
1.32
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.28,
78.46,
126.29,
90,
90,
90
|
|
R / Rfree (%)
|
12.1 /
15.4
|
Other elements in 7fh8:
The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A 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 H391A
(pdb code 7fh8). 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 H391A, PDB code: 7fh8:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 1 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca707
b:11.6
occ:1.00
|
O
|
A:SER86
|
2.3
|
11.2
|
1.0
|
|
O
|
A:HIS106
|
2.3
|
12.5
|
1.0
|
|
O
|
A:GLY104
|
2.3
|
12.6
|
1.0
|
|
O
|
A:THR84
|
2.4
|
11.6
|
1.0
|
|
OD2
|
A:ASP88
|
2.4
|
11.8
|
1.0
|
|
OD1
|
A:ASP109
|
2.4
|
11.5
|
1.0
|
|
CG
|
A:ASP109
|
3.1
|
10.6
|
1.0
|
|
OD2
|
A:ASP109
|
3.1
|
12.7
|
1.0
|
|
CG
|
A:ASP88
|
3.4
|
10.9
|
1.0
|
|
C
|
A:THR84
|
3.5
|
11.3
|
1.0
|
|
C
|
A:GLY104
|
3.5
|
12.3
|
1.0
|
|
C
|
A:SER86
|
3.5
|
11.2
|
1.0
|
|
C
|
A:HIS106
|
3.5
|
12.2
|
1.0
|
|
C
|
A:ARG105
|
4.0
|
11.7
|
1.0
|
|
N
|
A:SER86
|
4.0
|
11.3
|
1.0
|
|
N
|
A:THR84
|
4.0
|
12.0
|
1.0
|
|
O
|
A:ARG105
|
4.0
|
12.2
|
1.0
|
|
C
|
A:VAL85
|
4.1
|
11.6
|
1.0
|
|
N
|
A:HIS106
|
4.1
|
12.6
|
1.0
|
|
N
|
A:ASP88
|
4.1
|
11.1
|
1.0
|
|
CB
|
A:ASP88
|
4.1
|
11.7
|
1.0
|
|
OD1
|
A:ASP88
|
4.3
|
12.3
|
1.0
|
|
CA
|
A:THR84
|
4.3
|
11.3
|
1.0
|
|
CA
|
A:GLY104
|
4.3
|
12.7
|
1.0
|
|
N
|
A:VAL85
|
4.4
|
11.3
|
1.0
|
|
CA
|
A:SER86
|
4.4
|
11.2
|
1.0
|
|
N
|
A:ARG105
|
4.4
|
12.3
|
1.0
|
|
CA
|
A:VAL85
|
4.4
|
11.2
|
1.0
|
|
CA
|
A:HIS106
|
4.5
|
13.0
|
1.0
|
|
N
|
A:GLY107
|
4.5
|
12.5
|
1.0
|
|
N
|
A:SER87
|
4.5
|
11.7
|
1.0
|
|
O
|
A:VAL85
|
4.5
|
12.3
|
1.0
|
|
CA
|
A:ARG105
|
4.5
|
11.8
|
1.0
|
|
CA
|
A:GLY107
|
4.5
|
12.6
|
1.0
|
|
OG1
|
A:THR84
|
4.5
|
11.6
|
1.0
|
|
CB
|
A:ASP109
|
4.5
|
11.4
|
1.0
|
|
CA
|
A:SER87
|
4.6
|
11.7
|
1.0
|
|
CB
|
A:LEU83
|
4.6
|
12.0
|
1.0
|
|
CB
|
A:ARG105
|
4.6
|
12.1
|
1.0
|
|
CA
|
A:CA708
|
4.8
|
12.4
|
1.0
|
|
O
|
A:GLY107
|
4.8
|
12.4
|
1.0
|
|
CA
|
A:ASP88
|
4.8
|
11.6
|
1.0
|
|
C
|
A:GLY107
|
4.8
|
12.3
|
1.0
|
|
C
|
A:SER87
|
4.8
|
10.9
|
1.0
|
|
C
|
A:LEU83
|
4.8
|
12.2
|
1.0
|
|
Calcium binding site 2 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 2 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca708
b:12.4
occ:1.00
|
OD2
|
A:ASP109
|
2.3
|
12.7
|
1.0
|
|
OD1
|
A:ASP132
|
2.3
|
13.5
|
1.0
|
|
OD1
|
A:ASP153
|
2.4
|
13.4
|
1.0
|
|
O
|
A:GLY131
|
2.4
|
12.6
|
1.0
|
|
O
|
A:GLY107
|
2.4
|
12.4
|
1.0
|
|
O
|
A:ARG105
|
2.4
|
12.2
|
1.0
|
|
CG
|
A:ASP153
|
3.2
|
12.2
|
1.0
|
|
OD2
|
A:ASP153
|
3.3
|
13.1
|
1.0
|
|
CG
|
A:ASP109
|
3.4
|
10.6
|
1.0
|
|
C
|
A:GLY131
|
3.4
|
12.9
|
1.0
|
|
CG
|
A:ASP132
|
3.4
|
14.9
|
1.0
|
|
C
|
A:GLY107
|
3.6
|
12.3
|
1.0
|
|
C
|
A:ARG105
|
3.6
|
11.7
|
1.0
|
|
CA
|
A:ASP132
|
3.8
|
13.8
|
1.0
|
|
C
|
A:HIS106
|
3.8
|
12.2
|
1.0
|
|
O
|
A:HIS106
|
3.9
|
12.5
|
1.0
|
|
N
|
A:ASP132
|
4.0
|
13.0
|
1.0
|
|
N
|
A:GLY107
|
4.0
|
12.5
|
1.0
|
|
CB
|
A:ASP109
|
4.1
|
11.4
|
1.0
|
|
N
|
A:ASP109
|
4.1
|
11.3
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
15.1
|
1.0
|
|
C
|
A:GLY104
|
4.2
|
12.3
|
1.0
|
|
OD2
|
A:ASP132
|
4.3
|
15.4
|
1.0
|
|
OD1
|
A:ASP109
|
4.3
|
11.5
|
1.0
|
|
N
|
A:ARG105
|
4.3
|
12.3
|
1.0
|
|
CA
|
A:HIS106
|
4.4
|
13.0
|
1.0
|
|
CA
|
A:GLY107
|
4.4
|
12.6
|
1.0
|
|
O
|
A:GLY104
|
4.4
|
12.6
|
1.0
|
|
CB
|
A:TRP151
|
4.4
|
14.5
|
1.0
|
|
N
|
A:HIS106
|
4.4
|
12.6
|
1.0
|
|
CA
|
A:GLY131
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:GLY104
|
4.6
|
12.7
|
1.0
|
|
N
|
A:SER108
|
4.6
|
12.9
|
1.0
|
|
CB
|
A:ASP153
|
4.6
|
12.5
|
1.0
|
|
CA
|
A:ARG105
|
4.6
|
11.8
|
1.0
|
|
CA
|
A:CA707
|
4.8
|
11.6
|
1.0
|
|
CA
|
A:SER108
|
4.8
|
12.5
|
1.0
|
|
CA
|
A:ASP109
|
4.8
|
11.1
|
1.0
|
|
C
|
A:SER108
|
4.9
|
12.2
|
1.0
|
|
Calcium binding site 3 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 3 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca709
b:14.9
occ:1.00
|
O
|
A:TRP151
|
2.3
|
14.7
|
1.0
|
|
OD2
|
A:ASP153
|
2.3
|
13.1
|
1.0
|
|
OE2
|
A:GLU187
|
2.4
|
18.0
|
0.7
|
|
O
|
A:HOH1053
|
2.4
|
17.2
|
1.0
|
|
OD2
|
A:ASP132
|
2.4
|
15.4
|
1.0
|
|
OD1
|
A:ASP188
|
2.4
|
14.7
|
1.0
|
|
CG
|
A:ASP188
|
3.3
|
14.9
|
1.0
|
|
CG
|
A:ASP132
|
3.3
|
14.9
|
1.0
|
|
CD
|
A:GLU187
|
3.3
|
19.6
|
0.7
|
|
OD2
|
A:ASP188
|
3.4
|
15.8
|
1.0
|
|
CG
|
A:ASP153
|
3.4
|
12.2
|
1.0
|
|
C
|
A:TRP151
|
3.5
|
14.3
|
1.0
|
|
OD1
|
A:ASP132
|
3.9
|
13.5
|
1.0
|
|
N
|
A:ASP153
|
3.9
|
13.0
|
1.0
|
|
N
|
A:TRP151
|
4.0
|
15.1
|
1.0
|
|
CG
|
A:GLU187
|
4.0
|
20.8
|
0.7
|
|
CB
|
A:ASP153
|
4.0
|
12.5
|
1.0
|
|
CB
|
A:ASP132
|
4.2
|
15.1
|
1.0
|
|
OE1
|
A:GLU187
|
4.3
|
19.3
|
0.7
|
|
CA
|
A:TRP151
|
4.3
|
14.3
|
1.0
|
|
OD1
|
A:ASP153
|
4.3
|
13.4
|
1.0
|
|
N
|
A:SER152
|
4.4
|
14.4
|
1.0
|
|
CA
|
A:SER152
|
4.5
|
14.0
|
0.5
|
|
N
|
A:ASP132
|
4.5
|
13.0
|
1.0
|
|
CA
|
A:SER152
|
4.5
|
14.6
|
0.5
|
|
C
|
A:SER152
|
4.6
|
13.7
|
1.0
|
|
CA
|
A:ASP153
|
4.6
|
12.9
|
1.0
|
|
C
|
A:GLY131
|
4.6
|
12.9
|
1.0
|
|
O
|
A:HOH1284
|
4.7
|
26.8
|
1.0
|
|
CB
|
A:SER150
|
4.7
|
19.7
|
1.0
|
|
CB
|
A:ASP188
|
4.7
|
14.4
|
1.0
|
|
CA
|
A:GLY131
|
4.9
|
13.1
|
1.0
|
|
OD2
|
A:ASP182
|
4.9
|
15.7
|
1.0
|
|
CB
|
A:TRP151
|
5.0
|
14.5
|
1.0
|
|
OE1
|
A:GLU187
|
5.0
|
25.7
|
0.3
|
|
CA
|
A:ASP132
|
5.0
|
13.8
|
1.0
|
|
Calcium binding site 4 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 4 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca710
b:18.3
occ:1.00
|
OE2
|
A:GLU167
|
2.3
|
22.3
|
1.0
|
|
O
|
A:TYR165
|
2.3
|
17.4
|
1.0
|
|
O
|
A:LEU220
|
2.3
|
19.7
|
1.0
|
|
OD1
|
A:ASP219
|
2.3
|
20.8
|
1.0
|
|
O
|
A:GLN176
|
2.3
|
17.9
|
1.0
|
|
O
|
A:GLY173
|
2.4
|
22.2
|
1.0
|
|
C
|
A:GLY173
|
3.4
|
21.4
|
1.0
|
|
C
|
A:LEU220
|
3.4
|
18.8
|
1.0
|
|
CG
|
A:ASP219
|
3.5
|
21.4
|
1.0
|
|
C
|
A:GLN176
|
3.5
|
17.7
|
1.0
|
|
CD
|
A:GLU167
|
3.5
|
22.4
|
1.0
|
|
C
|
A:TYR165
|
3.5
|
16.8
|
1.0
|
|
CA
|
A:GLY173
|
3.8
|
22.9
|
1.0
|
|
N
|
A:LEU220
|
3.9
|
21.2
|
1.0
|
|
OD2
|
A:ASP219
|
4.0
|
22.3
|
1.0
|
|
CA
|
A:LEU220
|
4.1
|
19.5
|
1.0
|
|
N
|
A:GLN176
|
4.1
|
19.3
|
1.0
|
|
CA
|
A:GLN176
|
4.2
|
17.4
|
1.0
|
|
OE1
|
A:GLU167
|
4.2
|
24.5
|
1.0
|
|
CB
|
A:GLN176
|
4.2
|
17.9
|
1.0
|
|
CB
|
A:TYR165
|
4.3
|
15.7
|
1.0
|
|
N
|
A:PHE166
|
4.4
|
17.4
|
1.0
|
|
CA
|
A:PHE166
|
4.4
|
17.8
|
1.0
|
|
CB
|
A:LEU220
|
4.4
|
18.3
|
1.0
|
|
N
|
A:GLU167
|
4.4
|
20.2
|
1.0
|
|
C
|
A:ASP219
|
4.4
|
21.6
|
1.0
|
|
N
|
A:LEU174
|
4.5
|
21.4
|
1.0
|
|
N
|
A:ILE221
|
4.5
|
18.1
|
1.0
|
|
CA
|
A:TYR165
|
4.5
|
15.6
|
1.0
|
|
CG
|
A:GLU167
|
4.5
|
21.6
|
1.0
|
|
N
|
A:SER177
|
4.5
|
17.2
|
1.0
|
|
CB
|
A:ASP219
|
4.7
|
22.7
|
1.0
|
|
CA
|
A:ILE221
|
4.7
|
17.3
|
1.0
|
|
CA
|
A:SER177
|
4.8
|
16.8
|
0.3
|
|
CA
|
A:SER177
|
4.8
|
16.8
|
0.7
|
|
CD1
|
A:ILE221
|
4.8
|
17.9
|
1.0
|
|
C
|
A:PHE166
|
4.9
|
19.3
|
1.0
|
|
CA
|
A:ASP219
|
4.9
|
22.9
|
1.0
|
|
CA
|
A:LEU174
|
4.9
|
21.7
|
1.0
|
|
CB
|
A:SER177
|
4.9
|
17.4
|
0.3
|
|
CB
|
A:SER177
|
5.0
|
17.3
|
0.7
|
|
Calcium binding site 5 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 5 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca711
b:10.8
occ:1.00
|
OD1
|
A:ASP644
|
2.2
|
11.7
|
1.0
|
|
O
|
A:ALA259
|
2.3
|
12.4
|
1.0
|
|
OD2
|
A:ASP261
|
2.3
|
11.4
|
1.0
|
|
O
|
A:GLY641
|
2.3
|
11.9
|
1.0
|
|
O
|
A:THR257
|
2.4
|
11.6
|
1.0
|
|
O
|
A:TYR643
|
2.4
|
10.9
|
1.0
|
|
C
|
A:TYR643
|
3.3
|
10.4
|
1.0
|
|
CG
|
A:ASP261
|
3.5
|
11.3
|
1.0
|
|
C
|
A:ALA259
|
3.5
|
10.9
|
1.0
|
|
CG
|
A:ASP644
|
3.5
|
11.1
|
1.0
|
|
C
|
A:GLY641
|
3.5
|
11.8
|
1.0
|
|
C
|
A:THR257
|
3.5
|
12.0
|
1.0
|
|
N
|
A:THR257
|
3.8
|
11.9
|
1.0
|
|
N
|
A:ASP644
|
3.9
|
9.9
|
1.0
|
|
N
|
A:GLY641
|
4.0
|
12.3
|
1.0
|
|
CA
|
A:ASP644
|
4.0
|
10.0
|
1.0
|
|
N
|
A:ASP261
|
4.0
|
10.8
|
1.0
|
|
N
|
A:ALA259
|
4.0
|
11.3
|
1.0
|
|
CA
|
A:GLY641
|
4.1
|
12.1
|
1.0
|
|
C
|
A:ALA258
|
4.2
|
11.6
|
1.0
|
|
CA
|
A:THR257
|
4.3
|
12.1
|
1.0
|
|
OD1
|
A:ASP261
|
4.3
|
11.8
|
1.0
|
|
CB
|
A:ASP261
|
4.3
|
11.7
|
1.0
|
|
N
|
A:TYR643
|
4.3
|
10.9
|
1.0
|
|
OG
|
A:SER642
|
4.4
|
10.6
|
0.3
|
|
OD2
|
A:ASP644
|
4.4
|
12.3
|
1.0
|
|
CB
|
A:ASP644
|
4.4
|
10.7
|
1.0
|
|
CA
|
A:ASN260
|
4.4
|
11.3
|
0.7
|
|
N
|
A:ASN260
|
4.4
|
11.0
|
1.0
|
|
CA
|
A:ALA259
|
4.4
|
11.3
|
1.0
|
|
CA
|
A:ASN260
|
4.4
|
11.8
|
0.3
|
|
CA
|
A:TYR643
|
4.4
|
10.8
|
1.0
|
|
OG1
|
A:THR257
|
4.5
|
12.4
|
1.0
|
|
N
|
A:ALA258
|
4.5
|
12.4
|
1.0
|
|
C
|
A:SER642
|
4.5
|
11.5
|
1.0
|
|
C
|
A:ASN260
|
4.5
|
12.2
|
1.0
|
|
O
|
A:ALA258
|
4.5
|
13.5
|
1.0
|
|
CA
|
A:GLY256
|
4.5
|
11.7
|
1.0
|
|
N
|
A:SER642
|
4.6
|
12.6
|
1.0
|
|
C
|
A:GLY256
|
4.6
|
11.6
|
1.0
|
|
C
|
A:ALA640
|
4.6
|
12.8
|
1.0
|
|
CA
|
A:ALA258
|
4.6
|
12.4
|
1.0
|
|
O
|
A:SER642
|
4.8
|
11.7
|
1.0
|
|
CA
|
A:ASP261
|
4.8
|
11.0
|
1.0
|
|
CB
|
A:ALA640
|
4.9
|
14.5
|
1.0
|
|
OD1
|
A:ASN639
|
5.0
|
12.4
|
1.0
|
|
CA
|
A:SER642
|
5.0
|
12.2
|
0.7
|
|
CA
|
A:SER642
|
5.0
|
11.7
|
0.3
|
|
Calcium binding site 6 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 6 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca712
b:11.8
occ:1.00
|
OD1
|
A:ASP293
|
2.3
|
12.6
|
1.0
|
|
O
|
A:GLY315
|
2.3
|
14.2
|
1.0
|
|
O
|
A:GLY290
|
2.3
|
13.9
|
1.0
|
|
OE2
|
A:GLU317
|
2.3
|
12.8
|
1.0
|
|
O
|
A:SER313
|
2.4
|
12.3
|
1.0
|
|
O
|
A:ARG292
|
2.4
|
11.5
|
1.0
|
|
C
|
A:ARG292
|
3.3
|
11.3
|
1.0
|
|
CD
|
A:GLU317
|
3.4
|
11.8
|
1.0
|
|
C
|
A:GLY315
|
3.5
|
13.3
|
1.0
|
|
CG
|
A:ASP293
|
3.5
|
11.5
|
1.0
|
|
C
|
A:GLY290
|
3.5
|
13.0
|
1.0
|
|
C
|
A:SER313
|
3.5
|
12.3
|
1.0
|
|
CA
|
A:ASP293
|
3.8
|
11.1
|
1.0
|
|
N
|
A:ASP293
|
3.8
|
10.7
|
1.0
|
|
N
|
A:SER313
|
3.9
|
12.3
|
1.0
|
|
N
|
A:GLY290
|
4.0
|
13.5
|
1.0
|
|
OE1
|
A:GLU317
|
4.1
|
12.4
|
1.0
|
|
C
|
A:THR314
|
4.2
|
13.7
|
1.0
|
|
N
|
A:ARG292
|
4.2
|
12.4
|
1.0
|
|
N
|
A:GLY315
|
4.2
|
13.8
|
1.0
|
|
CB
|
A:ASP293
|
4.2
|
11.5
|
1.0
|
|
C
|
A:ALA291
|
4.2
|
12.4
|
1.0
|
|
CA
|
A:GLY290
|
4.3
|
13.8
|
1.0
|
|
N
|
A:THR316
|
4.3
|
12.5
|
1.0
|
|
CA
|
A:THR316
|
4.3
|
11.6
|
1.0
|
|
CA
|
A:SER313
|
4.4
|
12.7
|
1.0
|
|
CA
|
A:ARG292
|
4.4
|
12.2
|
1.0
|
|
O
|
A:ALA291
|
4.4
|
14.8
|
1.0
|
|
OD2
|
A:ASP293
|
4.4
|
11.8
|
1.0
|
|
CA
|
A:GLY315
|
4.5
|
13.7
|
1.0
|
|
N
|
A:THR314
|
4.5
|
13.1
|
1.0
|
|
CG
|
A:GLU317
|
4.5
|
11.4
|
1.0
|
|
OG
|
A:SER313
|
4.5
|
13.3
|
1.0
|
|
CA
|
A:THR314
|
4.5
|
14.0
|
1.0
|
|
N
|
A:GLU317
|
4.5
|
11.4
|
1.0
|
|
N
|
A:ALA291
|
4.5
|
13.3
|
1.0
|
|
O
|
A:THR314
|
4.5
|
15.8
|
1.0
|
|
CB
|
A:ILE289
|
4.7
|
12.7
|
1.0
|
|
CB
|
A:ALA291
|
4.7
|
14.3
|
1.0
|
|
CA
|
A:ALA291
|
4.7
|
13.1
|
1.0
|
|
C
|
A:THR316
|
4.8
|
11.5
|
1.0
|
|
C
|
A:ILE289
|
4.8
|
13.7
|
1.0
|
|
C
|
A:GLY312
|
5.0
|
12.1
|
1.0
|
|
Calcium binding site 7 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 7 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca713
b:13.6
occ:1.00
|
O
|
A:GLY346
|
2.3
|
15.0
|
1.0
|
|
OD1
|
A:ASP349
|
2.3
|
13.1
|
1.0
|
|
O
|
A:THR371
|
2.3
|
13.9
|
1.0
|
|
OE1
|
A:GLU373
|
2.4
|
13.8
|
1.0
|
|
O
|
A:THR369
|
2.4
|
14.7
|
1.0
|
|
O
|
A:ASN348
|
2.4
|
12.6
|
1.0
|
|
C
|
A:ASN348
|
3.3
|
12.4
|
1.0
|
|
CD
|
A:GLU373
|
3.5
|
14.1
|
1.0
|
|
C
|
A:GLY346
|
3.5
|
14.9
|
1.0
|
|
C
|
A:THR369
|
3.5
|
15.0
|
1.0
|
|
C
|
A:THR371
|
3.5
|
13.1
|
1.0
|
|
CG
|
A:ASP349
|
3.5
|
13.5
|
1.0
|
|
N
|
A:THR369
|
3.7
|
14.5
|
1.0
|
|
CA
|
A:ASP349
|
3.9
|
11.8
|
1.0
|
|
N
|
A:ASP349
|
4.0
|
12.4
|
1.0
|
|
OE2
|
A:GLU373
|
4.0
|
14.3
|
1.0
|
|
N
|
A:THR371
|
4.1
|
13.8
|
1.0
|
|
N
|
A:GLY346
|
4.1
|
17.2
|
1.0
|
|
N
|
A:GLU373
|
4.1
|
12.8
|
1.0
|
|
N
|
A:ASN348
|
4.2
|
14.1
|
1.0
|
|
C
|
A:GLY347
|
4.2
|
15.2
|
1.0
|
|
CA
|
A:THR369
|
4.2
|
14.8
|
1.0
|
|
CA
|
A:GLY346
|
4.2
|
16.4
|
1.0
|
|
C
|
A:TYR370
|
4.3
|
14.9
|
1.0
|
|
CB
|
A:ASP349
|
4.3
|
12.3
|
1.0
|
|
CA
|
A:THR371
|
4.4
|
14.0
|
1.0
|
|
O
|
A:GLY347
|
4.4
|
17.0
|
1.0
|
|
CA
|
A:ASN348
|
4.4
|
13.3
|
1.0
|
|
OG1
|
A:THR369
|
4.4
|
15.2
|
1.0
|
|
N
|
A:LEU372
|
4.4
|
13.9
|
1.0
|
|
OD2
|
A:ASP349
|
4.5
|
15.2
|
1.0
|
|
CA
|
A:LEU372
|
4.5
|
12.7
|
1.0
|
|
C
|
A:GLY368
|
4.5
|
14.9
|
1.0
|
|
N
|
A:GLY347
|
4.5
|
16.4
|
1.0
|
|
CA
|
A:GLY368
|
4.5
|
15.7
|
1.0
|
|
C
|
A:LEU372
|
4.5
|
12.4
|
1.0
|
|
C
|
A:LYS345
|
4.5
|
17.8
|
1.0
|
|
N
|
A:TYR370
|
4.5
|
15.5
|
1.0
|
|
CA
|
A:GLY347
|
4.6
|
15.6
|
1.0
|
|
CG
|
A:GLU373
|
4.6
|
12.8
|
1.0
|
|
CB
|
A:LYS345
|
4.7
|
19.7
|
1.0
|
|
CB
|
A:GLU373
|
4.7
|
13.0
|
1.0
|
|
O
|
A:TYR370
|
4.7
|
16.9
|
1.0
|
|
CA
|
A:TYR370
|
4.8
|
15.7
|
1.0
|
|
O
|
A:HOH824
|
5.0
|
43.0
|
1.0
|
|
CB
|
A:THR369
|
5.0
|
14.8
|
1.0
|
|
Calcium binding site 8 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 8 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca714
b:13.2
occ:1.00
|
O
|
A:THR435
|
2.3
|
14.3
|
1.0
|
|
OD2
|
A:ASP439
|
2.3
|
13.7
|
1.0
|
|
OD1
|
A:ASP415
|
2.3
|
13.2
|
1.0
|
|
O
|
A:THR414
|
2.3
|
12.7
|
1.0
|
|
O
|
A:THR437
|
2.3
|
13.8
|
1.0
|
|
O
|
A:HOH990
|
2.4
|
14.7
|
1.0
|
|
C
|
A:THR414
|
3.3
|
12.4
|
1.0
|
|
CG
|
A:ASP439
|
3.4
|
13.2
|
1.0
|
|
C
|
A:THR435
|
3.4
|
14.1
|
1.0
|
|
CG
|
A:ASP415
|
3.5
|
12.6
|
1.0
|
|
C
|
A:THR437
|
3.5
|
13.9
|
1.0
|
|
N
|
A:THR435
|
3.8
|
13.5
|
1.0
|
|
N
|
A:ASP415
|
3.8
|
12.6
|
1.0
|
|
CA
|
A:ASP415
|
3.8
|
12.2
|
1.0
|
|
N
|
A:THR437
|
4.0
|
13.9
|
1.0
|
|
N
|
A:ASP439
|
4.0
|
12.7
|
1.0
|
|
C
|
A:ILE436
|
4.1
|
15.2
|
1.0
|
|
OD1
|
A:ASP439
|
4.2
|
13.7
|
1.0
|
|
OG
|
A:SER413
|
4.2
|
15.7
|
1.0
|
|
CA
|
A:THR435
|
4.2
|
13.6
|
1.0
|
|
CB
|
A:ASP439
|
4.2
|
13.3
|
1.0
|
|
OG1
|
A:THR435
|
4.3
|
14.5
|
1.0
|
|
CB
|
A:ASP415
|
4.3
|
12.3
|
1.0
|
|
O
|
A:ILE436
|
4.4
|
15.9
|
1.0
|
|
CA
|
A:THR437
|
4.4
|
14.0
|
1.0
|
|
N
|
A:ILE436
|
4.4
|
14.4
|
1.0
|
|
CB
|
A:GLN401
|
4.4
|
16.8
|
1.0
|
|
C
|
A:LEU438
|
4.5
|
12.8
|
1.0
|
|
OD2
|
A:ASP415
|
4.5
|
13.3
|
1.0
|
|
CA
|
A:THR414
|
4.5
|
13.8
|
1.0
|
|
CA
|
A:ILE436
|
4.5
|
15.9
|
1.0
|
|
N
|
A:THR414
|
4.5
|
14.0
|
1.0
|
|
N
|
A:LEU438
|
4.5
|
12.7
|
1.0
|
|
CB
|
A:SER413
|
4.6
|
15.1
|
1.0
|
|
CA
|
A:LEU438
|
4.6
|
13.2
|
1.0
|
|
C
|
A:SER413
|
4.7
|
13.6
|
1.0
|
|
C
|
A:GLY434
|
4.7
|
13.5
|
1.0
|
|
CG
|
A:GLN401
|
4.7
|
17.9
|
1.0
|
|
OD1
|
A:ASN400
|
4.7
|
15.2
|
1.0
|
|
O
|
A:SER413
|
4.8
|
15.5
|
1.0
|
|
CA
|
A:ASP439
|
4.8
|
13.1
|
1.0
|
|
CA
|
A:GLY434
|
4.8
|
14.2
|
1.0
|
|
CB
|
A:THR435
|
4.9
|
14.7
|
1.0
|
|
Calcium binding site 9 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 9 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca715
b:12.3
occ:1.00
|
OD1
|
A:ASP474
|
2.3
|
13.2
|
1.0
|
|
OD2
|
A:ASP498
|
2.3
|
11.8
|
1.0
|
|
O
|
A:ASN496
|
2.3
|
12.8
|
1.0
|
|
O
|
A:THR494
|
2.3
|
12.8
|
1.0
|
|
O
|
A:TYR473
|
2.4
|
11.8
|
1.0
|
|
O
|
A:HOH928
|
2.4
|
14.5
|
1.0
|
|
C
|
A:TYR473
|
3.4
|
11.8
|
1.0
|
|
CG
|
A:ASP498
|
3.4
|
12.0
|
1.0
|
|
C
|
A:THR494
|
3.5
|
12.9
|
1.0
|
|
CG
|
A:ASP474
|
3.5
|
13.2
|
1.0
|
|
C
|
A:ASN496
|
3.5
|
12.7
|
1.0
|
|
N
|
A:THR494
|
3.7
|
13.2
|
1.0
|
|
CA
|
A:ASP474
|
3.9
|
11.0
|
1.0
|
|
N
|
A:ASP474
|
3.9
|
11.8
|
1.0
|
|
N
|
A:ASP498
|
4.0
|
12.2
|
1.0
|
|
N
|
A:ASN496
|
4.1
|
12.8
|
1.0
|
|
CA
|
A:THR494
|
4.2
|
12.7
|
1.0
|
|
OD1
|
A:ASP498
|
4.2
|
12.3
|
1.0
|
|
OG1
|
A:THR494
|
4.2
|
12.4
|
1.0
|
|
C
|
A:PRO495
|
4.2
|
14.4
|
1.0
|
|
O
|
A:GLU472
|
4.2
|
13.3
|
1.0
|
|
CB
|
A:ASP474
|
4.3
|
12.0
|
1.0
|
|
CA
|
A:GLY493
|
4.3
|
13.9
|
1.0
|
|
C
|
A:GLY493
|
4.4
|
14.1
|
1.0
|
|
OD2
|
A:ASP474
|
4.4
|
13.7
|
1.0
|
|
CB
|
A:ASP498
|
4.4
|
12.7
|
1.0
|
|
CA
|
A:TYR497
|
4.4
|
11.7
|
1.0
|
|
C
|
A:TYR497
|
4.4
|
11.6
|
1.0
|
|
N
|
A:TYR497
|
4.4
|
12.2
|
1.0
|
|
O
|
A:HOH1044
|
4.4
|
23.8
|
1.0
|
|
C
|
A:GLU472
|
4.4
|
12.6
|
1.0
|
|
N
|
A:PRO495
|
4.4
|
14.0
|
1.0
|
|
CA
|
A:ASN496
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:PRO495
|
4.5
|
13.9
|
1.0
|
|
N
|
A:TYR473
|
4.6
|
11.9
|
1.0
|
|
OD1
|
A:ASN466
|
4.6
|
17.4
|
1.0
|
|
CA
|
A:TYR473
|
4.6
|
11.9
|
1.0
|
|
CB
|
A:GLU472
|
4.6
|
13.5
|
1.0
|
|
O
|
A:PRO495
|
4.6
|
15.7
|
1.0
|
|
CA
|
A:ASP498
|
4.8
|
11.6
|
1.0
|
|
CB
|
A:THR494
|
4.9
|
13.2
|
1.0
|
|
Calcium binding site 10 out
of 12 in 7fh8
Go back to
Calcium Binding Sites List in 7fh8
Calcium binding site 10 out
of 12 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A
 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 H391A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca716
b:11.5
occ:1.00
|
O
|
A:GLU552
|
2.3
|
13.0
|
1.0
|
|
O
|
A:GLY527
|
2.3
|
12.9
|
1.0
|
|
OD1
|
A:ASP530
|
2.3
|
12.2
|
1.0
|
|
O
|
A:THR550
|
2.3
|
12.1
|
1.0
|
|
O
|
A:TYR529
|
2.3
|
10.6
|
1.0
|
|
OD2
|
A:ASP554
|
2.3
|
11.6
|
1.0
|
|
C
|
A:TYR529
|
3.3
|
10.5
|
1.0
|
|
C
|
A:THR550
|
3.5
|
12.2
|
1.0
|
|
CG
|
A:ASP554
|
3.5
|
10.6
|
1.0
|
|
C
|
A:GLU552
|
3.5
|
12.4
|
1.0
|
|
C
|
A:GLY527
|
3.5
|
13.3
|
1.0
|
|
CG
|
A:ASP530
|
3.5
|
12.2
|
1.0
|
|
N
|
A:THR550
|
3.8
|
11.8
|
1.0
|
|
N
|
A:ASP530
|
4.0
|
10.2
|
1.0
|
|
CA
|
A:ASP530
|
4.0
|
10.2
|
1.0
|
|
N
|
A:GLU552
|
4.0
|
12.4
|
1.0
|
|
N
|
A:ASP554
|
4.1
|
10.4
|
1.0
|
|
N
|
A:GLY527
|
4.1
|
13.8
|
1.0
|
|
C
|
A:SER551
|
4.2
|
13.3
|
1.0
|
|
N
|
A:TYR529
|
4.2
|
12.0
|
1.0
|
|
CB
|
A:ASP554
|
4.2
|
11.9
|
1.0
|
|
C
|
A:SER528
|
4.3
|
13.1
|
1.0
|
|
CA
|
A:THR550
|
4.3
|
12.0
|
1.0
|
|
CA
|
A:GLY527
|
4.3
|
13.6
|
1.0
|
|
OD1
|
A:ASP554
|
4.3
|
11.4
|
1.0
|
|
OG1
|
A:THR550
|
4.3
|
11.6
|
1.0
|
|
CB
|
A:ASP530
|
4.4
|
11.0
|
1.0
|
|
CA
|
A:GLU552
|
4.4
|
13.1
|
1.0
|
|
CA
|
A:TYR529
|
4.4
|
11.0
|
1.0
|
|
N
|
A:ASP553
|
4.4
|
11.6
|
1.0
|
|
N
|
A:SER551
|
4.5
|
12.7
|
1.0
|
|
OD2
|
A:ASP530
|
4.5
|
12.1
|
1.0
|
|
O
|
A:SER551
|
4.5
|
14.7
|
1.0
|
|
N
|
A:SER528
|
4.5
|
14.0
|
1.0
|
|
CB
|
A:SER528
|
4.5
|
14.3
|
1.0
|
|
CA
|
A:ASP553
|
4.5
|
11.4
|
1.0
|
|
CA
|
A:GLY549
|
4.5
|
12.4
|
1.0
|
|
C
|
A:GLY549
|
4.6
|
12.6
|
1.0
|
|
O
|
A:SER528
|
4.6
|
13.2
|
1.0
|
|
CA
|
A:SER551
|
4.6
|
13.3
|
1.0
|
|
CA
|
A:SER528
|
4.7
|
13.8
|
1.0
|
|
C
|
A:ASP553
|
4.7
|
10.4
|
1.0
|
|
C
|
A:ALA526
|
4.7
|
14.2
|
1.0
|
|
CB
|
A:ALA526
|
4.7
|
15.0
|
1.0
|
|
OD1
|
A:ASN525
|
4.8
|
16.4
|
1.0
|
|
CA
|
A:ASP554
|
4.8
|
10.5
|
1.0
|
|
CB
|
A:THR550
|
5.0
|
11.6
|
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: Fri Jul 19 00:51:51 2024
|
