Bromine in PDB 8fc0: Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
Protein crystallography data
The structure of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase, PDB code: 8fc0
was solved by
M.V.Liberato,
F.Squina,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.00 /
2.10
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
97.559,
97.823,
100.198,
66.05,
69.68,
70.02
|
|
R / Rfree (%)
|
18.6 /
22.7
|
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Bromine atom in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
(pdb code 8fc0). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the
Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase, PDB code: 8fc0:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 1 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br501
b:31.7
occ:1.00
|
O
|
F:HOH841
|
3.3
|
29.1
|
1.0
|
|
ND2
|
A:ASN63
|
3.3
|
23.0
|
1.0
|
|
N
|
A:ASP104
|
3.4
|
23.1
|
1.0
|
|
CD
|
A:PRO103
|
3.4
|
19.0
|
1.0
|
|
CB
|
A:ASP104
|
3.5
|
24.9
|
1.0
|
|
CG
|
A:ASP104
|
3.6
|
35.9
|
1.0
|
|
N
|
A:PRO103
|
3.7
|
25.4
|
1.0
|
|
OD2
|
A:ASP104
|
3.9
|
44.6
|
1.0
|
|
C
|
A:ASN102
|
3.9
|
20.1
|
1.0
|
|
CA
|
A:ASN102
|
3.9
|
24.4
|
1.0
|
|
CG
|
A:PRO103
|
4.0
|
26.1
|
1.0
|
|
NZ
|
A:LYS65
|
4.0
|
34.1
|
1.0
|
|
CA
|
A:ASP104
|
4.0
|
26.1
|
1.0
|
|
CE1
|
A:TYR64
|
4.1
|
21.4
|
1.0
|
|
CE
|
A:LYS65
|
4.1
|
32.7
|
1.0
|
|
OD1
|
A:ASP104
|
4.1
|
34.1
|
1.0
|
|
O
|
A:ALA101
|
4.4
|
20.9
|
1.0
|
|
C
|
A:PRO103
|
4.4
|
25.2
|
1.0
|
|
CA
|
A:PRO103
|
4.6
|
24.5
|
1.0
|
|
CG
|
A:ASN63
|
4.6
|
24.0
|
1.0
|
|
CD1
|
A:TYR64
|
4.6
|
20.8
|
1.0
|
|
O
|
A:ASN102
|
4.6
|
23.0
|
1.0
|
|
CB
|
A:ASN102
|
4.8
|
17.7
|
1.0
|
|
CD
|
A:LYS65
|
4.8
|
28.3
|
1.0
|
|
O
|
A:HOH636
|
4.8
|
39.7
|
1.0
|
|
C
|
A:ASP104
|
4.9
|
27.6
|
1.0
|
|
N
|
A:ASN102
|
4.9
|
25.4
|
1.0
|
|
CB
|
A:PRO103
|
4.9
|
26.9
|
1.0
|
|
N
|
A:LEU105
|
5.0
|
21.9
|
1.0
|
|
Bromine binding site 2 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 2 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br502
b:34.0
occ:1.00
|
N
|
A:SER52
|
3.2
|
21.1
|
1.0
|
|
OG
|
D:SER52
|
3.3
|
37.1
|
1.0
|
|
N
|
D:SER52
|
3.3
|
19.4
|
1.0
|
|
OG
|
A:SER52
|
3.5
|
33.4
|
1.0
|
|
CA
|
D:GLY138
|
3.6
|
25.7
|
1.0
|
|
CB
|
A:SER52
|
3.7
|
25.3
|
1.0
|
|
CA
|
A:GLY138
|
3.8
|
23.3
|
1.0
|
|
CB
|
D:SER51
|
3.8
|
17.0
|
1.0
|
|
CB
|
D:SER52
|
3.9
|
22.8
|
1.0
|
|
CA
|
D:SER51
|
3.9
|
23.0
|
1.0
|
|
N
|
D:GLY138
|
3.9
|
21.0
|
1.0
|
|
C
|
D:GLY138
|
3.9
|
25.3
|
1.0
|
|
CA
|
A:SER51
|
4.0
|
21.3
|
1.0
|
|
C
|
A:GLY138
|
4.0
|
25.6
|
1.0
|
|
CB
|
A:SER51
|
4.0
|
22.3
|
1.0
|
|
CA
|
A:SER52
|
4.0
|
22.5
|
1.0
|
|
O
|
D:GLY138
|
4.0
|
24.0
|
1.0
|
|
C
|
D:SER51
|
4.0
|
24.2
|
1.0
|
|
C
|
A:SER51
|
4.0
|
25.9
|
1.0
|
|
N
|
A:GLY138
|
4.1
|
22.2
|
1.0
|
|
CA
|
D:SER52
|
4.2
|
27.5
|
1.0
|
|
O
|
A:GLY138
|
4.2
|
27.4
|
1.0
|
|
C
|
D:GLU137
|
4.2
|
24.5
|
1.0
|
|
C
|
A:GLU137
|
4.3
|
26.2
|
1.0
|
|
O
|
A:GLU137
|
4.3
|
24.0
|
1.0
|
|
O
|
D:GLU137
|
4.3
|
27.7
|
1.0
|
|
N
|
A:ALA139
|
4.6
|
32.2
|
1.0
|
|
N
|
D:ALA139
|
4.6
|
25.8
|
1.0
|
|
OG
|
D:SER51
|
4.7
|
22.4
|
1.0
|
|
OG
|
A:SER51
|
4.9
|
25.9
|
1.0
|
|
CB
|
A:GLU137
|
4.9
|
29.4
|
1.0
|
|
CB
|
D:GLU137
|
4.9
|
22.2
|
1.0
|
|
Bromine binding site 3 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 3 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br501
b:29.8
occ:1.00
|
O
|
B:HOH856
|
3.1
|
30.4
|
1.0
|
|
ND2
|
B:ASN63
|
3.3
|
17.2
|
1.0
|
|
N
|
B:ASP104
|
3.4
|
25.8
|
1.0
|
|
CB
|
B:ASP104
|
3.4
|
28.2
|
1.0
|
|
CG
|
B:ASP104
|
3.5
|
33.0
|
1.0
|
|
CD
|
B:PRO103
|
3.6
|
22.4
|
1.0
|
|
CE
|
B:LYS65
|
3.7
|
31.6
|
1.0
|
|
N
|
B:PRO103
|
3.8
|
27.1
|
1.0
|
|
OD2
|
B:ASP104
|
3.8
|
38.2
|
1.0
|
|
CE1
|
B:TYR64
|
3.9
|
26.0
|
1.0
|
|
NZ
|
B:LYS65
|
3.9
|
33.0
|
1.0
|
|
C
|
B:ASN102
|
3.9
|
24.4
|
1.0
|
|
CG
|
B:PRO103
|
3.9
|
30.4
|
1.0
|
|
CA
|
B:ASN102
|
4.0
|
22.0
|
1.0
|
|
OD1
|
B:ASP104
|
4.0
|
32.2
|
1.0
|
|
CA
|
B:ASP104
|
4.0
|
26.9
|
1.0
|
|
O
|
B:HOH665
|
4.4
|
30.0
|
1.0
|
|
C
|
B:PRO103
|
4.4
|
25.6
|
1.0
|
|
CD1
|
B:TYR64
|
4.5
|
20.1
|
1.0
|
|
O
|
B:ALA101
|
4.5
|
23.8
|
1.0
|
|
CA
|
B:PRO103
|
4.6
|
26.3
|
1.0
|
|
CG
|
B:ASN63
|
4.6
|
23.1
|
1.0
|
|
O
|
B:ASN102
|
4.6
|
22.1
|
1.0
|
|
CD
|
B:LYS65
|
4.6
|
32.6
|
1.0
|
|
CB
|
B:ASN102
|
4.8
|
21.4
|
1.0
|
|
CZ
|
B:TYR64
|
4.9
|
22.6
|
1.0
|
|
CB
|
B:PRO103
|
4.9
|
22.8
|
1.0
|
|
C
|
B:ASP104
|
4.9
|
27.9
|
1.0
|
|
OD1
|
B:ASN102
|
4.9
|
21.4
|
1.0
|
|
CG
|
B:LYS65
|
5.0
|
22.0
|
1.0
|
|
OH
|
B:TYR64
|
5.0
|
26.0
|
1.0
|
|
N
|
B:LEU105
|
5.0
|
21.1
|
1.0
|
|
Bromine binding site 4 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 4 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br502
b:34.0
occ:1.00
|
N
|
B:SER52
|
3.2
|
21.1
|
1.0
|
|
N
|
H:SER52
|
3.3
|
19.9
|
1.0
|
|
OG
|
B:SER52
|
3.4
|
37.7
|
1.0
|
|
OG
|
H:SER52
|
3.5
|
36.1
|
1.0
|
|
CA
|
H:GLY138
|
3.6
|
26.6
|
1.0
|
|
CA
|
B:GLY138
|
3.7
|
25.8
|
1.0
|
|
CB
|
B:SER52
|
3.7
|
24.9
|
1.0
|
|
CB
|
H:SER52
|
3.8
|
25.9
|
1.0
|
|
CB
|
B:SER51
|
3.8
|
24.9
|
1.0
|
|
CA
|
B:SER51
|
3.9
|
24.4
|
1.0
|
|
C
|
H:GLY138
|
3.9
|
28.9
|
1.0
|
|
N
|
H:GLY138
|
4.0
|
25.4
|
1.0
|
|
CB
|
H:SER51
|
4.0
|
19.5
|
1.0
|
|
N
|
B:GLY138
|
4.0
|
28.8
|
1.0
|
|
C
|
B:GLY138
|
4.0
|
26.1
|
1.0
|
|
C
|
B:SER51
|
4.0
|
23.1
|
1.0
|
|
CA
|
H:SER51
|
4.1
|
27.0
|
1.0
|
|
CA
|
B:SER52
|
4.1
|
25.0
|
1.0
|
|
CA
|
H:SER52
|
4.2
|
21.6
|
1.0
|
|
C
|
H:SER51
|
4.2
|
26.0
|
1.0
|
|
O
|
H:GLY138
|
4.2
|
27.6
|
1.0
|
|
O
|
B:GLY138
|
4.3
|
23.9
|
1.0
|
|
C
|
B:GLU137
|
4.4
|
25.4
|
1.0
|
|
C
|
H:GLU137
|
4.4
|
29.1
|
1.0
|
|
O
|
B:GLU137
|
4.5
|
22.3
|
1.0
|
|
O
|
H:GLU137
|
4.5
|
27.4
|
1.0
|
|
N
|
H:ALA139
|
4.5
|
33.0
|
1.0
|
|
N
|
B:ALA139
|
4.6
|
29.6
|
1.0
|
|
OG
|
B:SER51
|
4.8
|
22.6
|
1.0
|
|
OG
|
H:SER51
|
4.9
|
19.0
|
1.0
|
|
Bromine binding site 5 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 5 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br501
b:27.5
occ:1.00
|
O
|
C:HOH821
|
3.1
|
33.3
|
1.0
|
|
ND2
|
C:ASN63
|
3.4
|
21.8
|
1.0
|
|
N
|
C:ASP104
|
3.5
|
30.7
|
1.0
|
|
CD
|
C:PRO103
|
3.5
|
21.1
|
1.0
|
|
CB
|
C:ASP104
|
3.5
|
27.3
|
1.0
|
|
CG
|
C:ASP104
|
3.6
|
31.5
|
1.0
|
|
NZ
|
C:LYS65
|
3.7
|
26.5
|
1.0
|
|
OD2
|
C:ASP104
|
3.7
|
33.5
|
1.0
|
|
N
|
C:PRO103
|
3.8
|
21.1
|
1.0
|
|
CE
|
C:LYS65
|
3.9
|
30.6
|
1.0
|
|
CE1
|
C:TYR64
|
3.9
|
25.3
|
1.0
|
|
CA
|
C:ASN102
|
3.9
|
24.1
|
1.0
|
|
C
|
C:ASN102
|
3.9
|
21.8
|
1.0
|
|
CG
|
C:PRO103
|
4.0
|
25.1
|
1.0
|
|
CA
|
C:ASP104
|
4.1
|
28.2
|
1.0
|
|
OD1
|
C:ASP104
|
4.2
|
28.1
|
1.0
|
|
O
|
C:ALA101
|
4.5
|
24.1
|
1.0
|
|
CD1
|
C:TYR64
|
4.5
|
20.9
|
1.0
|
|
C
|
C:PRO103
|
4.5
|
27.8
|
1.0
|
|
O
|
C:HOH754
|
4.5
|
34.7
|
1.0
|
|
CA
|
C:PRO103
|
4.6
|
26.9
|
1.0
|
|
CG
|
C:ASN63
|
4.6
|
29.4
|
1.0
|
|
O
|
C:ASN102
|
4.7
|
21.5
|
1.0
|
|
CB
|
C:ASN102
|
4.7
|
18.2
|
1.0
|
|
CD
|
C:LYS65
|
4.7
|
32.4
|
1.0
|
|
OD1
|
C:ASN102
|
4.8
|
24.8
|
1.0
|
|
CZ
|
C:TYR64
|
4.8
|
26.3
|
1.0
|
|
OH
|
C:TYR64
|
4.9
|
24.4
|
1.0
|
|
N
|
C:ASN102
|
4.9
|
21.7
|
1.0
|
|
CB
|
C:PRO103
|
5.0
|
24.1
|
1.0
|
|
Bromine binding site 6 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 6 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br502
b:35.6
occ:1.00
|
OG
|
F:SER52
|
3.1
|
36.0
|
1.0
|
|
OG
|
C:SER52
|
3.2
|
33.1
|
1.0
|
|
N
|
F:SER52
|
3.3
|
24.1
|
1.0
|
|
N
|
C:SER52
|
3.3
|
23.1
|
1.0
|
|
CA
|
C:GLY138
|
3.7
|
27.3
|
1.0
|
|
CB
|
C:SER52
|
3.8
|
23.9
|
1.0
|
|
CA
|
F:GLY138
|
3.8
|
27.3
|
1.0
|
|
CB
|
F:SER51
|
3.8
|
24.4
|
1.0
|
|
CB
|
F:SER52
|
3.8
|
26.3
|
1.0
|
|
CA
|
F:SER51
|
3.9
|
27.1
|
1.0
|
|
C
|
C:GLY138
|
3.9
|
25.6
|
1.0
|
|
C
|
F:GLY138
|
4.0
|
29.1
|
1.0
|
|
N
|
C:GLY138
|
4.0
|
30.1
|
1.0
|
|
CA
|
C:SER51
|
4.0
|
23.3
|
1.0
|
|
O
|
F:GLY138
|
4.1
|
30.6
|
1.0
|
|
CB
|
C:SER51
|
4.1
|
21.8
|
1.0
|
|
N
|
F:GLY138
|
4.1
|
25.7
|
1.0
|
|
C
|
F:SER51
|
4.1
|
23.8
|
1.0
|
|
CA
|
C:SER52
|
4.1
|
22.4
|
1.0
|
|
C
|
C:SER51
|
4.1
|
22.1
|
1.0
|
|
O
|
C:GLY138
|
4.2
|
26.8
|
1.0
|
|
CA
|
F:SER52
|
4.2
|
24.7
|
1.0
|
|
C
|
C:GLU137
|
4.4
|
26.5
|
1.0
|
|
C
|
F:GLU137
|
4.5
|
26.2
|
1.0
|
|
O
|
C:GLU137
|
4.5
|
29.4
|
1.0
|
|
N
|
C:ALA139
|
4.5
|
26.6
|
1.0
|
|
O
|
F:GLU137
|
4.6
|
28.9
|
1.0
|
|
N
|
F:ALA139
|
4.7
|
34.9
|
1.0
|
|
OG
|
F:SER51
|
4.7
|
21.3
|
1.0
|
|
OG
|
C:SER51
|
5.0
|
19.0
|
1.0
|
|
Bromine binding site 7 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 7 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br501
b:32.3
occ:1.00
|
O
|
C:HOH820
|
3.4
|
31.6
|
1.0
|
|
CB
|
D:ASP104
|
3.4
|
29.9
|
1.0
|
|
ND2
|
D:ASN63
|
3.4
|
21.6
|
1.0
|
|
N
|
D:ASP104
|
3.4
|
28.9
|
1.0
|
|
CD
|
D:PRO103
|
3.5
|
26.1
|
1.0
|
|
CG
|
D:ASP104
|
3.7
|
34.8
|
1.0
|
|
N
|
D:PRO103
|
3.8
|
25.5
|
1.0
|
|
NZ
|
D:LYS65
|
3.8
|
34.2
|
1.0
|
|
CE1
|
D:TYR64
|
3.8
|
24.1
|
1.0
|
|
CE
|
D:LYS65
|
3.9
|
32.5
|
1.0
|
|
CA
|
D:ASN102
|
3.9
|
20.8
|
1.0
|
|
C
|
D:ASN102
|
3.9
|
27.1
|
1.0
|
|
OD2
|
D:ASP104
|
4.0
|
39.8
|
1.0
|
|
CA
|
D:ASP104
|
4.0
|
25.4
|
1.0
|
|
CG
|
D:PRO103
|
4.0
|
27.4
|
1.0
|
|
OD1
|
D:ASP104
|
4.2
|
29.8
|
1.0
|
|
O
|
D:ALA101
|
4.3
|
23.6
|
1.0
|
|
CD1
|
D:TYR64
|
4.4
|
27.1
|
1.0
|
|
C
|
D:PRO103
|
4.5
|
26.9
|
1.0
|
|
O
|
C:HOH715
|
4.5
|
37.1
|
1.0
|
|
CD
|
D:LYS65
|
4.5
|
25.2
|
1.0
|
|
CG
|
D:ASN63
|
4.6
|
27.7
|
1.0
|
|
CA
|
D:PRO103
|
4.6
|
26.0
|
1.0
|
|
O
|
D:HOH759
|
4.7
|
34.9
|
1.0
|
|
O
|
D:ASN102
|
4.7
|
24.4
|
1.0
|
|
NH1
|
C:ARG363
|
4.8
|
36.9
|
1.0
|
|
CB
|
D:ASN102
|
4.8
|
17.5
|
1.0
|
|
CZ
|
D:TYR64
|
4.8
|
24.4
|
1.0
|
|
OD1
|
D:ASN102
|
4.8
|
20.5
|
1.0
|
|
OH
|
D:TYR64
|
4.9
|
25.5
|
1.0
|
|
N
|
D:ASN102
|
4.9
|
22.4
|
1.0
|
|
C
|
D:ASP104
|
4.9
|
27.1
|
1.0
|
|
C
|
D:ALA101
|
5.0
|
23.7
|
1.0
|
|
Bromine binding site 8 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 8 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Br501
b:37.1
occ:1.00
|
O
|
E:HOH750
|
3.2
|
29.6
|
1.0
|
|
ND2
|
E:ASN63
|
3.3
|
21.1
|
1.0
|
|
N
|
E:ASP104
|
3.3
|
27.4
|
1.0
|
|
CD
|
E:PRO103
|
3.3
|
24.6
|
1.0
|
|
NZ
|
E:LYS65
|
3.4
|
32.5
|
1.0
|
|
CB
|
E:ASP104
|
3.4
|
29.4
|
1.0
|
|
CE
|
E:LYS65
|
3.5
|
27.2
|
1.0
|
|
CG
|
E:ASP104
|
3.6
|
29.7
|
1.0
|
|
N
|
E:PRO103
|
3.6
|
24.4
|
1.0
|
|
CE1
|
E:TYR64
|
3.7
|
25.7
|
1.0
|
|
CG
|
E:PRO103
|
3.8
|
23.1
|
1.0
|
|
OD2
|
E:ASP104
|
3.8
|
39.4
|
1.0
|
|
CA
|
E:ASN102
|
3.9
|
21.0
|
1.0
|
|
C
|
E:ASN102
|
3.9
|
24.5
|
1.0
|
|
CA
|
E:ASP104
|
4.0
|
28.3
|
1.0
|
|
OD1
|
E:ASP104
|
4.1
|
38.3
|
1.0
|
|
CD1
|
E:TYR64
|
4.3
|
27.0
|
1.0
|
|
C
|
E:PRO103
|
4.3
|
23.8
|
1.0
|
|
O
|
E:ALA101
|
4.4
|
21.9
|
1.0
|
|
CA
|
E:PRO103
|
4.4
|
22.8
|
1.0
|
|
CG
|
E:ASN63
|
4.5
|
28.5
|
1.0
|
|
O
|
E:HOH766
|
4.6
|
28.9
|
1.0
|
|
O
|
E:ASN102
|
4.6
|
23.1
|
1.0
|
|
CB
|
E:ASN102
|
4.7
|
21.8
|
1.0
|
|
OD1
|
E:ASN102
|
4.7
|
25.7
|
1.0
|
|
CB
|
E:PRO103
|
4.8
|
20.4
|
1.0
|
|
CZ
|
E:TYR64
|
4.8
|
25.7
|
1.0
|
|
N
|
E:ASN102
|
4.9
|
18.5
|
1.0
|
|
OD1
|
E:ASN63
|
4.9
|
26.1
|
1.0
|
|
CD
|
E:LYS65
|
5.0
|
28.6
|
1.0
|
|
OH
|
E:TYR64
|
5.0
|
29.6
|
1.0
|
|
C
|
E:ASP104
|
5.0
|
25.7
|
1.0
|
|
Bromine binding site 9 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 9 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Br501
b:46.5
occ:1.00
|
O
|
A:HOH834
|
3.2
|
34.3
|
1.0
|
|
CB
|
F:ASP104
|
3.4
|
31.2
|
1.0
|
|
CG
|
F:ASP104
|
3.4
|
38.1
|
1.0
|
|
ND2
|
F:ASN63
|
3.4
|
21.4
|
1.0
|
|
OD2
|
F:ASP104
|
3.4
|
49.5
|
1.0
|
|
N
|
F:ASP104
|
3.5
|
27.8
|
1.0
|
|
CD
|
F:PRO103
|
3.6
|
23.5
|
1.0
|
|
CE1
|
F:TYR64
|
3.8
|
20.9
|
1.0
|
|
N
|
F:PRO103
|
3.8
|
22.2
|
1.0
|
|
CE
|
F:LYS65
|
3.9
|
32.5
|
1.0
|
|
CA
|
F:ASN102
|
4.0
|
24.0
|
1.0
|
|
C
|
F:ASN102
|
4.0
|
22.4
|
1.0
|
|
NZ
|
F:LYS65
|
4.0
|
35.9
|
1.0
|
|
CA
|
F:ASP104
|
4.0
|
30.0
|
1.0
|
|
OD1
|
F:ASP104
|
4.1
|
44.1
|
1.0
|
|
CG
|
F:PRO103
|
4.1
|
25.6
|
1.0
|
|
O
|
F:HOH659
|
4.1
|
37.2
|
1.0
|
|
O
|
F:HOH607
|
4.4
|
35.0
|
1.0
|
|
CD1
|
F:TYR64
|
4.4
|
22.7
|
1.0
|
|
CD
|
F:LYS65
|
4.5
|
27.6
|
1.0
|
|
C
|
F:PRO103
|
4.5
|
27.1
|
1.0
|
|
O
|
F:ALA101
|
4.5
|
22.8
|
1.0
|
|
CG
|
F:ASN63
|
4.6
|
26.0
|
1.0
|
|
CZ
|
F:TYR64
|
4.7
|
21.7
|
1.0
|
|
CA
|
F:PRO103
|
4.7
|
25.0
|
1.0
|
|
O
|
F:ASN102
|
4.7
|
24.5
|
1.0
|
|
OH
|
F:TYR64
|
4.7
|
24.6
|
1.0
|
|
NH1
|
A:ARG363
|
4.7
|
33.1
|
1.0
|
|
CB
|
F:ASN102
|
4.8
|
20.1
|
1.0
|
|
OD1
|
F:ASN102
|
5.0
|
19.6
|
1.0
|
|
CG
|
F:LYS65
|
5.0
|
23.9
|
1.0
|
|
OD1
|
F:ASN63
|
5.0
|
28.6
|
1.0
|
|
C
|
F:ASP104
|
5.0
|
32.0
|
1.0
|
|
Bromine binding site 10 out
of 12 in 8fc0
Go back to
Bromine Binding Sites List in 8fc0
Bromine binding site 10 out
of 12 in the Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Crystal Structure of A Metagenome-Derived GH5 Endo-Beta-1,4-Glucanase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Br401
b:39.3
occ:1.00
|
N
|
G:SER52
|
3.2
|
23.5
|
1.0
|
|
OG
|
G:SER52
|
3.3
|
33.2
|
1.0
|
|
N
|
E:SER52
|
3.3
|
27.3
|
1.0
|
|
OG
|
E:SER52
|
3.5
|
42.5
|
1.0
|
|
CA
|
E:GLY138
|
3.7
|
31.9
|
1.0
|
|
CB
|
G:SER52
|
3.7
|
28.4
|
1.0
|
|
CA
|
G:GLY138
|
3.7
|
28.6
|
1.0
|
|
CB
|
E:SER52
|
3.8
|
25.9
|
1.0
|
|
CB
|
E:SER51
|
3.9
|
26.2
|
1.0
|
|
N
|
G:GLY138
|
3.9
|
26.9
|
1.0
|
|
C
|
G:GLY138
|
4.0
|
31.4
|
1.0
|
|
C
|
E:GLY138
|
4.0
|
31.6
|
1.0
|
|
CB
|
G:SER51
|
4.0
|
26.6
|
1.0
|
|
CA
|
E:SER51
|
4.0
|
28.6
|
1.0
|
|
CA
|
G:SER51
|
4.0
|
21.3
|
1.0
|
|
N
|
E:GLY138
|
4.0
|
35.1
|
1.0
|
|
CA
|
G:SER52
|
4.1
|
29.0
|
1.0
|
|
C
|
G:SER51
|
4.1
|
24.8
|
1.0
|
|
O
|
E:GLY138
|
4.1
|
31.4
|
1.0
|
|
C
|
E:SER51
|
4.1
|
25.8
|
1.0
|
|
O
|
G:GLY138
|
4.2
|
27.9
|
1.0
|
|
CA
|
E:SER52
|
4.2
|
28.0
|
1.0
|
|
C
|
G:GLU137
|
4.3
|
30.8
|
1.0
|
|
C
|
E:GLU137
|
4.3
|
32.3
|
1.0
|
|
O
|
E:GLU137
|
4.4
|
33.5
|
1.0
|
|
O
|
G:GLU137
|
4.4
|
28.2
|
1.0
|
|
N
|
G:ALA139
|
4.5
|
28.2
|
1.0
|
|
N
|
E:ALA139
|
4.7
|
34.9
|
1.0
|
|
CB
|
G:GLU137
|
4.9
|
25.5
|
1.0
|
|
OG
|
G:SER51
|
4.9
|
19.2
|
1.0
|
|
OG
|
E:SER51
|
4.9
|
25.0
|
1.0
|
|
Reference:
A.C.Pimentel,
M.V.Liberato,
J.P.L.Franco Cairo,
G.Tomazetto,
C.A.Gandin,
M.De Oliveira Neto,
T.M.Alvarez,
F.M.Squina.
Structural and Functional Insights of the Catalytic GH5 and Calx-Beta Domains From the Metagenome-Derived Endoglucanase CELE2. Enzyme.Microb.Technol. V. 165 10206 2023.
ISSN: ISSN 0141-0229
PubMed: 36758494
DOI: 10.1016/J.ENZMICTEC.2023.110206
Page generated: Thu Jul 11 05:08:47 2024
|
