Calcium in PDB 6ep0: Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Protein crystallography data
The structure of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion., PDB code: 6ep0
was solved by
S.Veyron,
J.Cherfils,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
62.82 /
2.35
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.975,
64.975,
246.239,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.8 /
26.4
|
Other elements in 6ep0:
The structure of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
(pdb code 6ep0). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion., PDB code: 6ep0:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 1 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:79.7
occ:1.00
|
O
|
A:HOH415
|
2.1
|
0.7
|
1.0
|
OE1
|
A:GLU122
|
2.1
|
58.4
|
1.0
|
O
|
A:HOH419
|
2.1
|
56.1
|
1.0
|
O2P
|
A:AMP301
|
2.4
|
53.1
|
1.0
|
O
|
B:HOH454
|
2.5
|
69.7
|
1.0
|
O
|
A:HOH418
|
2.9
|
75.1
|
1.0
|
CD
|
A:GLU122
|
3.2
|
83.8
|
1.0
|
OE2
|
A:GLU122
|
3.7
|
87.1
|
1.0
|
P
|
A:AMP301
|
3.7
|
48.6
|
1.0
|
CL
|
A:CL307
|
4.1
|
61.4
|
1.0
|
OE1
|
A:GLU197
|
4.2
|
57.6
|
1.0
|
O3P
|
A:AMP301
|
4.3
|
44.2
|
1.0
|
CG
|
A:GLU122
|
4.4
|
62.3
|
1.0
|
O5'
|
A:AMP301
|
4.6
|
48.6
|
1.0
|
O1P
|
A:AMP301
|
4.7
|
55.1
|
1.0
|
NH2
|
A:ARG126
|
4.7
|
47.6
|
1.0
|
NZ
|
A:LYS78
|
4.7
|
0.6
|
1.0
|
C5'
|
A:AMP301
|
4.7
|
48.4
|
1.0
|
N
|
A:GLY123
|
4.8
|
46.2
|
1.0
|
CD
|
A:GLU197
|
4.9
|
67.6
|
1.0
|
CB
|
A:GLU197
|
4.9
|
48.1
|
1.0
|
|
Calcium binding site 2 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 2 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:74.9
occ:1.00
|
O
|
A:HOH401
|
1.7
|
30.0
|
1.0
|
O
|
A:HOH434
|
1.8
|
30.0
|
1.0
|
OE2
|
A:GLU201
|
2.3
|
70.0
|
1.0
|
O
|
B:HOH407
|
2.3
|
54.6
|
1.0
|
O
|
A:GLU201
|
2.4
|
63.4
|
1.0
|
OE1
|
B:GLU201
|
2.4
|
68.5
|
1.0
|
CD
|
B:GLU201
|
3.2
|
96.1
|
1.0
|
OE2
|
B:GLU201
|
3.3
|
0.3
|
1.0
|
CD
|
A:GLU201
|
3.4
|
81.1
|
1.0
|
C
|
A:GLU201
|
3.6
|
62.1
|
1.0
|
O
|
B:HOH402
|
3.6
|
40.0
|
1.0
|
OE1
|
A:GLU201
|
4.2
|
77.5
|
1.0
|
CA
|
A:GLU201
|
4.4
|
55.0
|
1.0
|
CG
|
A:GLU201
|
4.4
|
61.9
|
1.0
|
N
|
A:TYR202
|
4.5
|
58.9
|
1.0
|
CZ
|
B:ARG23
|
4.5
|
85.4
|
1.0
|
NH2
|
B:ARG23
|
4.6
|
69.3
|
1.0
|
CA
|
A:TYR202
|
4.6
|
57.9
|
1.0
|
CG
|
B:GLU201
|
4.7
|
73.6
|
1.0
|
O
|
A:HOH446
|
4.7
|
57.5
|
1.0
|
NH1
|
B:ARG23
|
4.7
|
81.9
|
1.0
|
NE
|
B:ARG23
|
4.9
|
68.3
|
1.0
|
CA
|
A:CA304
|
5.0
|
0.9
|
1.0
|
CB
|
A:GLU201
|
5.0
|
56.8
|
1.0
|
|
Calcium binding site 3 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 3 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:0.9
occ:1.00
|
O
|
B:HOH402
|
2.0
|
40.0
|
1.0
|
OE1
|
A:GLU201
|
2.2
|
77.5
|
1.0
|
O
|
B:HOH457
|
2.3
|
1.0
|
1.0
|
O
|
A:HOH460
|
2.6
|
30.0
|
1.0
|
O
|
B:GLU201
|
3.1
|
75.6
|
1.0
|
CD
|
A:GLU201
|
3.2
|
81.1
|
1.0
|
OE2
|
A:GLU201
|
3.5
|
70.0
|
1.0
|
NH2
|
A:ARG23
|
3.6
|
71.0
|
1.0
|
O
|
B:HOH458
|
3.8
|
61.0
|
1.0
|
C
|
B:GLU201
|
4.3
|
73.8
|
1.0
|
OE1
|
B:GLU201
|
4.4
|
68.5
|
1.0
|
CG
|
A:GLU201
|
4.4
|
61.9
|
1.0
|
CZ
|
A:ARG23
|
4.5
|
94.5
|
1.0
|
NH1
|
A:ARG23
|
4.8
|
80.2
|
1.0
|
CA
|
A:CA303
|
5.0
|
74.9
|
1.0
|
|
Calcium binding site 4 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 4 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca305
b:64.3
occ:1.00
|
OD2
|
A:ASP63
|
2.4
|
76.8
|
1.0
|
OD1
|
A:ASN32
|
2.5
|
63.4
|
1.0
|
O
|
A:HOH455
|
2.7
|
51.6
|
1.0
|
NH1
|
A:ARG35
|
3.3
|
0.8
|
1.0
|
CG
|
A:ASP63
|
3.3
|
70.2
|
1.0
|
CG
|
A:ASN32
|
3.5
|
64.1
|
1.0
|
OD1
|
A:ASP63
|
3.5
|
71.9
|
1.0
|
ND2
|
A:ASN32
|
3.7
|
53.3
|
1.0
|
CZ
|
A:ARG35
|
4.3
|
0.7
|
1.0
|
NH2
|
A:ARG35
|
4.4
|
99.7
|
1.0
|
OE1
|
A:GLU31
|
4.6
|
94.5
|
1.0
|
CA
|
A:CA306
|
4.7
|
90.2
|
1.0
|
CB
|
A:ASP63
|
4.7
|
64.2
|
1.0
|
O
|
A:VAL28
|
4.8
|
57.4
|
1.0
|
CB
|
A:ASN32
|
4.9
|
51.4
|
1.0
|
|
Calcium binding site 5 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 5 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca306
b:90.2
occ:1.00
|
OD1
|
A:ASP63
|
2.7
|
71.9
|
1.0
|
CG
|
A:ASP63
|
3.9
|
70.2
|
1.0
|
OD2
|
A:ASP63
|
4.6
|
76.8
|
1.0
|
CA
|
A:CA305
|
4.7
|
64.3
|
1.0
|
CB
|
A:ASP63
|
4.9
|
64.2
|
1.0
|
|
Calcium binding site 6 out
of 6 in 6ep0
Go back to
Calcium Binding Sites List in 6ep0
Calcium binding site 6 out
of 6 in the Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Enterococcus Faecalis Fic Protein in Complex with Amp and Calcium Ion. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:59.1
occ:1.00
|
O
|
B:HOH403
|
2.1
|
49.6
|
1.0
|
O2P
|
B:AMP301
|
2.3
|
62.1
|
1.0
|
OE2
|
B:GLU122
|
2.4
|
50.0
|
1.0
|
O
|
B:HOH449
|
2.4
|
67.2
|
1.0
|
OE1
|
B:GLU122
|
2.6
|
92.6
|
1.0
|
CD
|
B:GLU122
|
2.8
|
83.0
|
1.0
|
O
|
B:HOH411
|
2.9
|
64.2
|
1.0
|
CL
|
B:CL303
|
3.3
|
72.2
|
1.0
|
P
|
B:AMP301
|
3.7
|
54.8
|
1.0
|
NZ
|
B:LYS78
|
4.0
|
58.4
|
1.0
|
O3P
|
B:AMP301
|
4.2
|
54.2
|
1.0
|
OE2
|
B:GLU197
|
4.2
|
58.4
|
1.0
|
CG
|
B:GLU122
|
4.3
|
65.9
|
1.0
|
NH2
|
B:ARG126
|
4.4
|
54.2
|
1.0
|
O5'
|
B:AMP301
|
4.5
|
50.8
|
1.0
|
O1P
|
B:AMP301
|
4.6
|
58.1
|
1.0
|
N
|
B:GLY123
|
4.6
|
48.9
|
1.0
|
CB
|
B:GLU197
|
4.7
|
49.9
|
1.0
|
OH
|
B:TYR199
|
4.8
|
60.7
|
1.0
|
C5'
|
B:AMP301
|
4.8
|
50.7
|
1.0
|
CD
|
B:GLU197
|
4.9
|
68.7
|
1.0
|
|
Reference:
S.Veyron,
G.Oliva,
M.Rolando,
C.Buchrieser,
G.Peyroche,
J.Cherfils.
A CA2+-Regulated Deampylation Switch in Human and Bacterial Fic Proteins. Nat Commun V. 10 1142 2019.
ISSN: ESSN 2041-1723
PubMed: 30850593
DOI: 10.1038/S41467-019-09023-1
Page generated: Mon Jul 15 18:26:48 2024
|