Calcium in PDB 7xrt: Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
Protein crystallography data
The structure of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077), PDB code: 7xrt
was solved by
G.M.Du,
Y.L.Wang,
F.J.Xin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.35 /
2.01
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.385,
160.164,
192.056,
90,
90,
90
|
|
R / Rfree (%)
|
15.2 /
17.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
(pdb code 7xrt). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077), PDB code: 7xrt:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 1 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:14.7
occ:1.00
|
OD1
|
A:ASP262
|
2.3
|
35.0
|
1.0
|
|
O
|
B:HOH408
|
2.5
|
31.0
|
1.0
|
|
OD2
|
A:ASP235
|
2.6
|
39.2
|
1.0
|
|
OE2
|
B:GLU257
|
2.6
|
27.7
|
1.0
|
|
OD1
|
A:ASP235
|
2.7
|
42.1
|
1.0
|
|
OD2
|
A:ASP234
|
2.7
|
27.1
|
1.0
|
|
OD1
|
A:ASP234
|
2.7
|
27.6
|
1.0
|
|
O
|
B:HOH437
|
2.7
|
37.1
|
1.0
|
|
CG
|
A:ASP235
|
2.9
|
41.0
|
1.0
|
|
CG
|
A:ASP234
|
3.0
|
27.1
|
1.0
|
|
CD
|
B:GLU257
|
3.4
|
33.3
|
1.0
|
|
CG
|
A:ASP262
|
3.5
|
30.3
|
1.0
|
|
OE1
|
B:GLU257
|
3.6
|
36.6
|
1.0
|
|
NH1
|
B:ARG259
|
4.2
|
23.2
|
1.0
|
|
OD2
|
A:ASP262
|
4.3
|
38.9
|
1.0
|
|
CB
|
A:ASP235
|
4.4
|
31.9
|
1.0
|
|
CA
|
A:ASP262
|
4.5
|
25.3
|
1.0
|
|
CB
|
A:ASP262
|
4.5
|
29.0
|
1.0
|
|
N
|
A:GLY263
|
4.5
|
29.2
|
1.0
|
|
NH2
|
B:ARG259
|
4.5
|
28.7
|
1.0
|
|
CB
|
A:ASP234
|
4.5
|
23.1
|
1.0
|
|
CG
|
B:GLU257
|
4.7
|
26.7
|
1.0
|
|
CA
|
B:GLU257
|
4.7
|
25.2
|
1.0
|
|
N
|
A:ASP235
|
4.7
|
26.9
|
1.0
|
|
O
|
A:HOH404
|
4.7
|
40.0
|
1.0
|
|
CZ
|
B:ARG259
|
4.8
|
31.5
|
1.0
|
|
O
|
B:HIS256
|
4.8
|
27.3
|
1.0
|
|
CB
|
B:GLU257
|
4.9
|
27.9
|
1.0
|
|
C
|
A:ASP234
|
4.9
|
31.5
|
1.0
|
|
Calcium binding site 2 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 2 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca301
b:15.3
occ:1.00
|
OD1
|
B:ASP262
|
2.3
|
33.7
|
1.0
|
|
OD2
|
B:ASP234
|
2.5
|
31.0
|
1.0
|
|
OD1
|
B:ASP235
|
2.6
|
38.6
|
1.0
|
|
O
|
A:HOH442
|
2.6
|
32.4
|
1.0
|
|
OE2
|
A:GLU257
|
2.6
|
29.6
|
1.0
|
|
OD2
|
B:ASP235
|
2.6
|
39.5
|
1.0
|
|
OD1
|
B:ASP234
|
2.6
|
30.0
|
1.0
|
|
O
|
A:HOH452
|
2.7
|
38.8
|
1.0
|
|
CG
|
B:ASP235
|
2.9
|
36.2
|
1.0
|
|
CG
|
B:ASP234
|
2.9
|
35.7
|
1.0
|
|
CD
|
A:GLU257
|
3.4
|
35.0
|
1.0
|
|
OE1
|
A:GLU257
|
3.5
|
39.4
|
1.0
|
|
CG
|
B:ASP262
|
3.6
|
36.2
|
1.0
|
|
NH1
|
A:ARG259
|
4.2
|
25.8
|
1.0
|
|
OD2
|
B:ASP262
|
4.3
|
41.6
|
1.0
|
|
O
|
B:HOH469
|
4.4
|
49.2
|
1.0
|
|
CB
|
B:ASP235
|
4.4
|
32.1
|
1.0
|
|
CB
|
B:ASP234
|
4.5
|
28.9
|
1.0
|
|
NH2
|
A:ARG259
|
4.5
|
29.1
|
1.0
|
|
N
|
B:GLY263
|
4.5
|
33.5
|
1.0
|
|
CA
|
B:ASP262
|
4.5
|
27.8
|
1.0
|
|
CB
|
B:ASP262
|
4.6
|
29.8
|
1.0
|
|
N
|
B:ASP235
|
4.7
|
31.3
|
1.0
|
|
CG
|
A:GLU257
|
4.7
|
29.9
|
1.0
|
|
CA
|
A:GLU257
|
4.7
|
29.4
|
1.0
|
|
CZ
|
A:ARG259
|
4.8
|
31.9
|
1.0
|
|
O
|
A:HIS256
|
4.8
|
29.6
|
1.0
|
|
C
|
B:ASP234
|
5.0
|
32.0
|
1.0
|
|
CB
|
A:GLU257
|
5.0
|
26.8
|
1.0
|
|
Calcium binding site 3 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 3 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca301
b:14.3
occ:1.00
|
OD1
|
C:ASP262
|
2.4
|
35.5
|
1.0
|
|
OE2
|
E:GLU257
|
2.5
|
31.0
|
1.0
|
|
OD2
|
C:ASP235
|
2.5
|
43.5
|
1.0
|
|
O
|
E:HOH429
|
2.6
|
28.6
|
1.0
|
|
OD1
|
C:ASP235
|
2.6
|
39.4
|
1.0
|
|
OD1
|
C:ASP234
|
2.7
|
24.6
|
1.0
|
|
OD2
|
C:ASP234
|
2.7
|
28.5
|
1.0
|
|
O
|
C:HOH480
|
2.7
|
35.4
|
1.0
|
|
CG
|
C:ASP235
|
2.9
|
41.8
|
1.0
|
|
CG
|
C:ASP234
|
3.0
|
26.3
|
1.0
|
|
CD
|
E:GLU257
|
3.3
|
30.3
|
1.0
|
|
OE1
|
E:GLU257
|
3.6
|
36.5
|
1.0
|
|
CG
|
C:ASP262
|
3.6
|
27.4
|
1.0
|
|
NH1
|
E:ARG259
|
4.1
|
23.8
|
1.0
|
|
O
|
C:HOH490
|
4.3
|
53.5
|
1.0
|
|
OD2
|
C:ASP262
|
4.4
|
38.8
|
1.0
|
|
CB
|
C:ASP235
|
4.4
|
36.9
|
1.0
|
|
NH2
|
E:ARG259
|
4.5
|
23.4
|
1.0
|
|
CA
|
C:ASP262
|
4.5
|
28.9
|
1.0
|
|
N
|
C:GLY263
|
4.5
|
29.4
|
1.0
|
|
CB
|
C:ASP234
|
4.6
|
23.8
|
1.0
|
|
CB
|
C:ASP262
|
4.6
|
26.4
|
1.0
|
|
CG
|
E:GLU257
|
4.6
|
21.8
|
1.0
|
|
N
|
C:ASP235
|
4.7
|
31.0
|
1.0
|
|
CA
|
E:GLU257
|
4.7
|
25.1
|
1.0
|
|
CZ
|
E:ARG259
|
4.8
|
28.1
|
1.0
|
|
O
|
E:HIS256
|
4.9
|
28.6
|
1.0
|
|
CB
|
E:GLU257
|
4.9
|
22.9
|
1.0
|
|
Calcium binding site 4 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 4 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca301
b:21.5
occ:1.00
|
O
|
G:HOH406
|
2.2
|
35.5
|
1.0
|
|
OD2
|
D:ASP235
|
2.4
|
44.9
|
1.0
|
|
OD1
|
D:ASP262
|
2.4
|
37.8
|
1.0
|
|
OE2
|
G:GLU257
|
2.4
|
44.5
|
1.0
|
|
OD2
|
D:ASP234
|
2.5
|
39.6
|
1.0
|
|
OD1
|
D:ASP235
|
2.7
|
45.1
|
1.0
|
|
OD1
|
D:ASP234
|
2.7
|
33.4
|
1.0
|
|
O
|
G:HOH454
|
2.7
|
41.9
|
1.0
|
|
CG
|
D:ASP235
|
2.8
|
42.4
|
1.0
|
|
CG
|
D:ASP234
|
3.0
|
41.0
|
1.0
|
|
CD
|
G:GLU257
|
3.2
|
45.9
|
1.0
|
|
OE1
|
G:GLU257
|
3.4
|
51.7
|
1.0
|
|
CG
|
D:ASP262
|
3.6
|
35.5
|
1.0
|
|
NH1
|
G:ARG259
|
4.0
|
29.7
|
1.0
|
|
CB
|
D:ASP235
|
4.3
|
38.5
|
1.0
|
|
NH2
|
G:ARG259
|
4.4
|
36.4
|
1.0
|
|
OD2
|
D:ASP262
|
4.4
|
40.9
|
1.0
|
|
CB
|
D:ASP234
|
4.5
|
38.7
|
1.0
|
|
CA
|
D:ASP262
|
4.6
|
33.8
|
1.0
|
|
CG
|
G:GLU257
|
4.6
|
41.3
|
1.0
|
|
CB
|
D:ASP262
|
4.6
|
30.7
|
1.0
|
|
N
|
D:GLY263
|
4.6
|
38.6
|
1.0
|
|
N
|
D:ASP235
|
4.6
|
37.4
|
1.0
|
|
CZ
|
G:ARG259
|
4.7
|
38.9
|
1.0
|
|
CA
|
G:GLU257
|
4.7
|
33.1
|
1.0
|
|
O
|
G:HIS256
|
4.8
|
37.3
|
1.0
|
|
CB
|
G:GLU257
|
4.9
|
38.1
|
1.0
|
|
C
|
D:ASP234
|
5.0
|
35.7
|
1.0
|
|
Calcium binding site 5 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 5 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca301
b:13.4
occ:1.00
|
OD1
|
E:ASP262
|
2.4
|
31.6
|
1.0
|
|
OE1
|
C:GLU257
|
2.5
|
32.4
|
1.0
|
|
OD2
|
E:ASP235
|
2.6
|
36.6
|
1.0
|
|
OD1
|
E:ASP234
|
2.6
|
24.3
|
1.0
|
|
O
|
C:HOH423
|
2.6
|
34.0
|
1.0
|
|
OD2
|
E:ASP234
|
2.7
|
30.9
|
1.0
|
|
O
|
C:HOH450
|
2.7
|
31.2
|
1.0
|
|
OD1
|
E:ASP235
|
2.8
|
37.2
|
1.0
|
|
CG
|
E:ASP234
|
3.0
|
27.8
|
1.0
|
|
CG
|
E:ASP235
|
3.0
|
38.9
|
1.0
|
|
CD
|
C:GLU257
|
3.4
|
35.2
|
1.0
|
|
OE2
|
C:GLU257
|
3.6
|
35.0
|
1.0
|
|
CG
|
E:ASP262
|
3.6
|
33.5
|
1.0
|
|
NH1
|
C:ARG259
|
4.1
|
23.0
|
1.0
|
|
O
|
E:HOH428
|
4.3
|
45.1
|
1.0
|
|
OD2
|
E:ASP262
|
4.4
|
37.3
|
1.0
|
|
NH2
|
C:ARG259
|
4.4
|
27.1
|
1.0
|
|
CB
|
E:ASP235
|
4.5
|
34.2
|
1.0
|
|
CB
|
E:ASP234
|
4.5
|
25.3
|
1.0
|
|
CA
|
E:ASP262
|
4.5
|
22.8
|
1.0
|
|
O
|
E:HOH418
|
4.6
|
49.3
|
1.0
|
|
CB
|
E:ASP262
|
4.6
|
26.3
|
1.0
|
|
N
|
E:GLY263
|
4.6
|
30.9
|
1.0
|
|
N
|
E:ASP235
|
4.7
|
29.1
|
1.0
|
|
CG
|
C:GLU257
|
4.7
|
27.6
|
1.0
|
|
CA
|
C:GLU257
|
4.7
|
22.3
|
1.0
|
|
CZ
|
C:ARG259
|
4.7
|
27.7
|
1.0
|
|
O
|
C:HIS256
|
4.8
|
26.6
|
1.0
|
|
CB
|
C:GLU257
|
5.0
|
21.9
|
1.0
|
|
C
|
E:ASP234
|
5.0
|
30.6
|
1.0
|
|
Calcium binding site 6 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 6 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca301
b:17.4
occ:1.00
|
OD1
|
F:ASP262
|
2.5
|
34.1
|
1.0
|
|
OE2
|
H:GLU257
|
2.5
|
34.8
|
1.0
|
|
OD2
|
F:ASP235
|
2.5
|
48.8
|
1.0
|
|
O
|
H:HOH418
|
2.5
|
35.9
|
1.0
|
|
OD1
|
F:ASP235
|
2.6
|
42.9
|
1.0
|
|
OD2
|
F:ASP234
|
2.7
|
37.2
|
1.0
|
|
OD1
|
F:ASP234
|
2.7
|
32.7
|
1.0
|
|
O
|
H:HOH426
|
2.7
|
35.5
|
1.0
|
|
CG
|
F:ASP235
|
2.9
|
46.1
|
1.0
|
|
CG
|
F:ASP234
|
3.0
|
32.5
|
1.0
|
|
CD
|
H:GLU257
|
3.3
|
41.6
|
1.0
|
|
OE1
|
H:GLU257
|
3.5
|
41.6
|
1.0
|
|
CG
|
F:ASP262
|
3.7
|
36.0
|
1.0
|
|
NH1
|
H:ARG259
|
4.2
|
26.9
|
1.0
|
|
O
|
F:HOH418
|
4.2
|
52.6
|
1.0
|
|
CB
|
F:ASP235
|
4.4
|
39.2
|
1.0
|
|
OD2
|
F:ASP262
|
4.5
|
39.0
|
1.0
|
|
NH2
|
H:ARG259
|
4.5
|
28.9
|
1.0
|
|
CB
|
F:ASP234
|
4.5
|
30.5
|
1.0
|
|
CA
|
F:ASP262
|
4.6
|
32.8
|
1.0
|
|
N
|
F:GLY263
|
4.6
|
32.1
|
1.0
|
|
CG
|
H:GLU257
|
4.6
|
31.9
|
1.0
|
|
O
|
F:HOH486
|
4.6
|
59.1
|
1.0
|
|
N
|
F:ASP235
|
4.7
|
33.5
|
1.0
|
|
CB
|
F:ASP262
|
4.7
|
31.7
|
1.0
|
|
CA
|
H:GLU257
|
4.7
|
27.9
|
1.0
|
|
O
|
H:HIS256
|
4.8
|
35.2
|
1.0
|
|
CZ
|
H:ARG259
|
4.8
|
32.3
|
1.0
|
|
CB
|
H:GLU257
|
4.9
|
30.2
|
1.0
|
|
C
|
F:ASP234
|
5.0
|
34.3
|
1.0
|
|
O
|
H:HOH542
|
5.0
|
68.1
|
1.0
|
|
Calcium binding site 7 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 7 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca301
b:21.9
occ:1.00
|
O
|
D:HOH422
|
2.4
|
31.4
|
1.0
|
|
OD1
|
G:ASP262
|
2.4
|
37.9
|
1.0
|
|
OD2
|
G:ASP235
|
2.4
|
48.3
|
1.0
|
|
OE2
|
D:GLU257
|
2.6
|
38.6
|
1.0
|
|
OD1
|
G:ASP235
|
2.6
|
48.3
|
1.0
|
|
OD1
|
G:ASP234
|
2.6
|
33.6
|
1.0
|
|
O
|
D:HOH433
|
2.6
|
40.3
|
1.0
|
|
OD2
|
G:ASP234
|
2.7
|
38.7
|
1.0
|
|
CG
|
G:ASP235
|
2.9
|
47.1
|
1.0
|
|
CG
|
G:ASP234
|
3.0
|
38.0
|
1.0
|
|
CD
|
D:GLU257
|
3.4
|
42.4
|
1.0
|
|
OE1
|
D:GLU257
|
3.6
|
42.7
|
1.0
|
|
CG
|
G:ASP262
|
3.7
|
37.8
|
1.0
|
|
NH1
|
D:ARG259
|
4.1
|
26.9
|
1.0
|
|
CB
|
G:ASP235
|
4.4
|
38.4
|
1.0
|
|
NH2
|
D:ARG259
|
4.4
|
32.6
|
1.0
|
|
OD2
|
G:ASP262
|
4.5
|
41.9
|
1.0
|
|
CB
|
G:ASP234
|
4.5
|
36.9
|
1.0
|
|
CA
|
G:ASP262
|
4.5
|
32.5
|
1.0
|
|
N
|
G:GLY263
|
4.5
|
36.5
|
1.0
|
|
CB
|
G:ASP262
|
4.6
|
33.6
|
1.0
|
|
N
|
G:ASP235
|
4.6
|
36.5
|
1.0
|
|
O
|
G:HOH451
|
4.7
|
55.2
|
1.0
|
|
CG
|
D:GLU257
|
4.7
|
39.9
|
1.0
|
|
CZ
|
D:ARG259
|
4.7
|
33.4
|
1.0
|
|
CA
|
D:GLU257
|
4.7
|
35.1
|
1.0
|
|
O
|
D:HIS256
|
4.8
|
33.0
|
1.0
|
|
C
|
G:ASP234
|
4.9
|
36.7
|
1.0
|
|
CB
|
D:GLU257
|
5.0
|
37.4
|
1.0
|
|
Calcium binding site 8 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 8 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca301
b:15.4
occ:1.00
|
OD1
|
H:ASP262
|
2.3
|
36.2
|
1.0
|
|
OD2
|
H:ASP235
|
2.5
|
43.8
|
1.0
|
|
OE2
|
F:GLU257
|
2.6
|
33.6
|
1.0
|
|
OD2
|
H:ASP234
|
2.6
|
30.7
|
1.0
|
|
O
|
F:HOH412
|
2.6
|
31.6
|
1.0
|
|
OD1
|
H:ASP234
|
2.7
|
29.6
|
1.0
|
|
OD1
|
H:ASP235
|
2.7
|
42.1
|
1.0
|
|
O
|
F:HOH432
|
2.7
|
41.4
|
1.0
|
|
CG
|
H:ASP235
|
2.9
|
44.6
|
1.0
|
|
CG
|
H:ASP234
|
3.0
|
30.1
|
1.0
|
|
CD
|
F:GLU257
|
3.4
|
36.5
|
1.0
|
|
CG
|
H:ASP262
|
3.6
|
32.6
|
1.0
|
|
OE1
|
F:GLU257
|
3.6
|
40.8
|
1.0
|
|
NH1
|
F:ARG259
|
4.2
|
24.2
|
1.0
|
|
OD2
|
H:ASP262
|
4.4
|
40.1
|
1.0
|
|
O
|
H:HOH438
|
4.4
|
50.3
|
1.0
|
|
CB
|
H:ASP235
|
4.4
|
38.0
|
1.0
|
|
CB
|
H:ASP234
|
4.5
|
26.8
|
1.0
|
|
NH2
|
F:ARG259
|
4.5
|
27.6
|
1.0
|
|
CA
|
H:ASP262
|
4.5
|
27.0
|
1.0
|
|
CB
|
H:ASP262
|
4.5
|
29.5
|
1.0
|
|
N
|
H:GLY263
|
4.5
|
31.7
|
1.0
|
|
N
|
H:ASP235
|
4.6
|
26.9
|
1.0
|
|
CA
|
F:GLU257
|
4.7
|
27.3
|
1.0
|
|
CG
|
F:GLU257
|
4.7
|
33.5
|
1.0
|
|
CZ
|
F:ARG259
|
4.8
|
31.3
|
1.0
|
|
O
|
F:HIS256
|
4.8
|
27.8
|
1.0
|
|
CB
|
F:GLU257
|
4.9
|
28.1
|
1.0
|
|
C
|
H:ASP234
|
4.9
|
30.8
|
1.0
|
|
Calcium binding site 9 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 9 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Ca301
b:16.1
occ:1.00
|
OD1
|
I:ASP262
|
2.4
|
39.3
|
1.0
|
|
OD1
|
I:ASP235
|
2.5
|
41.9
|
1.0
|
|
OD2
|
I:ASP234
|
2.5
|
32.5
|
1.0
|
|
OD2
|
I:ASP235
|
2.5
|
48.3
|
1.0
|
|
O
|
J:HOH408
|
2.5
|
34.7
|
1.0
|
|
OE2
|
J:GLU257
|
2.5
|
37.0
|
1.0
|
|
OD1
|
I:ASP234
|
2.6
|
29.2
|
1.0
|
|
O
|
I:HOH447
|
2.7
|
35.0
|
1.0
|
|
CG
|
I:ASP235
|
2.8
|
49.0
|
1.0
|
|
CG
|
I:ASP234
|
2.9
|
30.6
|
1.0
|
|
CD
|
J:GLU257
|
3.3
|
35.4
|
1.0
|
|
OE1
|
J:GLU257
|
3.5
|
41.4
|
1.0
|
|
CG
|
I:ASP262
|
3.7
|
35.1
|
1.0
|
|
NH1
|
J:ARG259
|
4.1
|
26.2
|
1.0
|
|
O
|
I:HOH456
|
4.2
|
53.9
|
1.0
|
|
CB
|
I:ASP235
|
4.3
|
39.8
|
1.0
|
|
OD2
|
I:ASP262
|
4.5
|
41.4
|
1.0
|
|
CB
|
I:ASP234
|
4.5
|
27.4
|
1.0
|
|
NH2
|
J:ARG259
|
4.5
|
31.6
|
1.0
|
|
CA
|
I:ASP262
|
4.6
|
32.9
|
1.0
|
|
N
|
I:GLY263
|
4.6
|
32.6
|
1.0
|
|
N
|
I:ASP235
|
4.6
|
28.6
|
1.0
|
|
CB
|
I:ASP262
|
4.7
|
32.4
|
1.0
|
|
CG
|
J:GLU257
|
4.7
|
31.8
|
1.0
|
|
CA
|
J:GLU257
|
4.7
|
25.6
|
1.0
|
|
CZ
|
J:ARG259
|
4.8
|
30.4
|
1.0
|
|
O
|
J:HIS256
|
4.8
|
34.7
|
1.0
|
|
C
|
I:ASP234
|
4.9
|
34.1
|
1.0
|
|
CB
|
J:GLU257
|
4.9
|
29.8
|
1.0
|
|
CA
|
I:ASP235
|
5.0
|
32.9
|
1.0
|
|
Calcium binding site 10 out
of 10 in 7xrt
Go back to
Calcium Binding Sites List in 7xrt
Calcium binding site 10 out
of 10 in the Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077)
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Bacteroides Thetaiotaomicron Ferulic Acid Esterase (BT_4077) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca301
b:16.0
occ:1.00
|
OD1
|
J:ASP262
|
2.4
|
34.3
|
1.0
|
|
OE2
|
I:GLU257
|
2.5
|
31.5
|
1.0
|
|
OD2
|
J:ASP235
|
2.6
|
44.4
|
1.0
|
|
OD1
|
J:ASP234
|
2.6
|
29.5
|
1.0
|
|
O
|
I:HOH416
|
2.6
|
34.2
|
1.0
|
|
OD1
|
J:ASP235
|
2.6
|
36.3
|
1.0
|
|
OD2
|
J:ASP234
|
2.7
|
33.4
|
1.0
|
|
O
|
I:HOH454
|
2.7
|
37.4
|
1.0
|
|
CG
|
J:ASP235
|
2.9
|
41.5
|
1.0
|
|
CG
|
J:ASP234
|
3.0
|
28.3
|
1.0
|
|
CD
|
I:GLU257
|
3.3
|
35.3
|
1.0
|
|
OE1
|
I:GLU257
|
3.6
|
36.0
|
1.0
|
|
CG
|
J:ASP262
|
3.6
|
35.0
|
1.0
|
|
NH1
|
I:ARG259
|
4.1
|
25.6
|
1.0
|
|
O
|
J:HOH465
|
4.4
|
44.7
|
1.0
|
|
OD2
|
J:ASP262
|
4.4
|
40.8
|
1.0
|
|
CB
|
J:ASP235
|
4.4
|
29.5
|
1.0
|
|
CB
|
J:ASP234
|
4.5
|
26.4
|
1.0
|
|
NH2
|
I:ARG259
|
4.5
|
27.7
|
1.0
|
|
CA
|
J:ASP262
|
4.5
|
29.0
|
1.0
|
|
N
|
J:GLY263
|
4.6
|
33.8
|
1.0
|
|
CB
|
J:ASP262
|
4.6
|
34.3
|
1.0
|
|
N
|
J:ASP235
|
4.6
|
31.2
|
1.0
|
|
CG
|
I:GLU257
|
4.7
|
28.8
|
1.0
|
|
CA
|
I:GLU257
|
4.7
|
29.3
|
1.0
|
|
O
|
I:HIS256
|
4.8
|
27.2
|
1.0
|
|
CZ
|
I:ARG259
|
4.8
|
28.5
|
1.0
|
|
CB
|
I:GLU257
|
4.9
|
29.6
|
1.0
|
|
C
|
J:ASP234
|
4.9
|
32.6
|
1.0
|
|
O
|
J:HOH479
|
4.9
|
40.0
|
1.0
|
|
Reference:
G.M.Du,
Y.L.Wang,
F.J.Xin.
Insights Into the Regulatory Mechanism of Btfae Activity By Oligomerization and A Distinct Substrate Binding Pocket Adjacent to the Active Site To Be Published.
Page generated: Thu Jul 10 02:30:00 2025
|
