Calcium in PDB 6mvh: Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
Enzymatic activity of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
All present enzymatic activity of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis:
3.2.1.23;
Protein crystallography data
The structure of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis, PDB code: 6mvh
was solved by
S.J.Pellock,
M.R.Redinbo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.27 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.417,
137.407,
108.833,
90.00,
91.88,
90.00
|
R / Rfree (%)
|
20.9 /
26.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
(pdb code 6mvh). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis, PDB code: 6mvh:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6mvh
Go back to
Calcium Binding Sites List in 6mvh
Calcium binding site 1 out
of 4 in the Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca801
b:26.7
occ:1.00
|
OD1
|
A:ASP43
|
2.3
|
22.4
|
1.0
|
O
|
A:GLY44
|
2.3
|
24.8
|
1.0
|
OD2
|
A:ASP47
|
2.4
|
24.3
|
1.0
|
O
|
A:ASP40
|
2.4
|
25.9
|
1.0
|
OD1
|
A:ASP521
|
2.5
|
25.4
|
1.0
|
OD2
|
A:ASP521
|
2.6
|
24.8
|
1.0
|
CG
|
A:ASP521
|
2.9
|
27.1
|
1.0
|
CG
|
A:ASP43
|
3.3
|
27.5
|
1.0
|
C
|
A:ASP40
|
3.4
|
22.4
|
1.0
|
C
|
A:GLY44
|
3.4
|
29.4
|
1.0
|
CG
|
A:ASP47
|
3.5
|
24.9
|
1.0
|
N
|
A:GLY44
|
3.7
|
24.3
|
1.0
|
OD2
|
A:ASP43
|
3.8
|
28.9
|
1.0
|
OD1
|
A:ASP47
|
4.0
|
33.2
|
1.0
|
CA
|
A:ASP40
|
4.1
|
27.6
|
1.0
|
CA
|
A:GLY44
|
4.1
|
26.8
|
1.0
|
C
|
A:ASP43
|
4.2
|
23.5
|
1.0
|
N
|
A:ASP47
|
4.2
|
24.7
|
1.0
|
N
|
A:TYR48
|
4.2
|
23.0
|
1.0
|
N
|
A:ASP43
|
4.4
|
24.4
|
1.0
|
CB
|
A:ASP521
|
4.4
|
25.7
|
1.0
|
N
|
A:GLY41
|
4.4
|
20.1
|
1.0
|
C
|
A:ASP47
|
4.5
|
26.3
|
1.0
|
N
|
A:GLY45
|
4.5
|
29.4
|
1.0
|
CB
|
A:ASP40
|
4.5
|
25.5
|
1.0
|
CB
|
A:ASP43
|
4.5
|
21.0
|
1.0
|
CA
|
A:ASP43
|
4.6
|
28.8
|
1.0
|
CA
|
A:GLY41
|
4.6
|
25.2
|
1.0
|
N
|
A:ASN46
|
4.7
|
27.6
|
1.0
|
CA
|
A:ASP47
|
4.7
|
26.8
|
1.0
|
CB
|
A:ASP47
|
4.7
|
21.2
|
1.0
|
CA
|
A:TYR48
|
4.7
|
27.1
|
1.0
|
CA
|
A:GLY45
|
4.8
|
24.4
|
1.0
|
O
|
A:ASP43
|
4.8
|
27.8
|
1.0
|
O
|
A:ASP521
|
4.9
|
28.4
|
1.0
|
CB
|
A:TYR48
|
4.9
|
24.4
|
1.0
|
N
|
A:GLN42
|
4.9
|
23.4
|
1.0
|
O
|
A:ASP47
|
5.0
|
25.0
|
1.0
|
C
|
A:GLY45
|
5.0
|
28.4
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6mvh
Go back to
Calcium Binding Sites List in 6mvh
Calcium binding site 2 out
of 4 in the Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca801
b:23.8
occ:1.00
|
O
|
B:GLY44
|
2.3
|
24.3
|
1.0
|
OD2
|
B:ASP47
|
2.4
|
29.4
|
1.0
|
OD1
|
B:ASP43
|
2.4
|
23.8
|
1.0
|
OD1
|
B:ASP521
|
2.4
|
22.8
|
1.0
|
O
|
B:ASP40
|
2.5
|
23.9
|
1.0
|
OD2
|
B:ASP521
|
2.5
|
24.1
|
1.0
|
O
|
A:HOH935
|
2.6
|
30.0
|
1.0
|
CG
|
B:ASP521
|
2.8
|
24.6
|
1.0
|
CG
|
B:ASP47
|
3.4
|
31.9
|
1.0
|
C
|
B:GLY44
|
3.4
|
23.1
|
1.0
|
C
|
B:ASP40
|
3.5
|
22.8
|
1.0
|
CG
|
B:ASP43
|
3.5
|
28.9
|
1.0
|
N
|
B:GLY44
|
3.7
|
29.4
|
1.0
|
OD1
|
B:ASP47
|
3.9
|
30.4
|
1.0
|
OD2
|
B:ASP43
|
4.0
|
28.1
|
1.0
|
N
|
B:TYR48
|
4.1
|
22.3
|
1.0
|
CA
|
B:GLY44
|
4.1
|
25.3
|
1.0
|
N
|
B:ASP47
|
4.1
|
27.4
|
1.0
|
CA
|
B:ASP40
|
4.1
|
25.1
|
1.0
|
C
|
B:ASP43
|
4.2
|
25.3
|
1.0
|
NZ
|
A:LYS9
|
4.2
|
38.7
|
1.0
|
CB
|
B:ASP521
|
4.3
|
23.5
|
1.0
|
O
|
A:HOH948
|
4.3
|
34.5
|
1.0
|
N
|
B:GLY41
|
4.4
|
23.2
|
1.0
|
N
|
B:ASP43
|
4.4
|
24.0
|
1.0
|
C
|
B:ASP47
|
4.5
|
26.0
|
1.0
|
N
|
B:GLY45
|
4.5
|
28.3
|
1.0
|
CA
|
B:GLY41
|
4.5
|
20.6
|
1.0
|
CB
|
B:ASP47
|
4.6
|
22.2
|
1.0
|
CB
|
B:ASP40
|
4.6
|
26.2
|
1.0
|
CA
|
B:ASP43
|
4.6
|
24.5
|
1.0
|
CA
|
B:ASP47
|
4.6
|
23.3
|
1.0
|
CA
|
B:TYR48
|
4.6
|
23.8
|
1.0
|
CB
|
B:ASP43
|
4.7
|
21.6
|
1.0
|
N
|
B:ASN46
|
4.7
|
26.1
|
1.0
|
O
|
B:ASP43
|
4.8
|
17.8
|
1.0
|
CB
|
B:TYR48
|
4.8
|
21.2
|
1.0
|
CA
|
B:GLY45
|
4.8
|
27.6
|
1.0
|
N
|
B:GLN42
|
4.9
|
23.0
|
1.0
|
O
|
B:ASP521
|
4.9
|
26.7
|
1.0
|
C
|
B:GLY45
|
4.9
|
34.5
|
1.0
|
C
|
B:GLY41
|
5.0
|
20.7
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6mvh
Go back to
Calcium Binding Sites List in 6mvh
Calcium binding site 3 out
of 4 in the Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca801
b:26.8
occ:1.00
|
OD2
|
C:ASP47
|
2.3
|
31.3
|
1.0
|
OD1
|
C:ASP43
|
2.3
|
23.8
|
1.0
|
O
|
C:GLY44
|
2.4
|
23.7
|
1.0
|
O
|
C:ASP40
|
2.4
|
22.6
|
1.0
|
OD2
|
C:ASP521
|
2.4
|
25.4
|
1.0
|
OD1
|
C:ASP521
|
2.5
|
26.6
|
1.0
|
CG
|
C:ASP521
|
2.8
|
26.3
|
1.0
|
CG
|
C:ASP43
|
3.4
|
19.4
|
1.0
|
CG
|
C:ASP47
|
3.4
|
29.2
|
1.0
|
C
|
C:GLY44
|
3.5
|
29.4
|
1.0
|
N
|
C:GLY44
|
3.5
|
27.6
|
1.0
|
C
|
C:ASP40
|
3.5
|
25.2
|
1.0
|
OD1
|
C:ASP47
|
3.9
|
33.0
|
1.0
|
OD2
|
C:ASP43
|
3.9
|
29.7
|
1.0
|
C
|
C:ASP43
|
4.0
|
25.7
|
1.0
|
CA
|
C:GLY44
|
4.1
|
26.8
|
1.0
|
N
|
C:ASP47
|
4.2
|
27.9
|
1.0
|
N
|
C:ASP43
|
4.2
|
25.5
|
1.0
|
CA
|
C:ASP40
|
4.2
|
24.8
|
1.0
|
CB
|
C:ASP521
|
4.3
|
22.4
|
1.0
|
N
|
C:TYR48
|
4.3
|
25.2
|
1.0
|
CA
|
C:ASP43
|
4.4
|
23.4
|
1.0
|
CB
|
C:ASP43
|
4.5
|
20.7
|
1.0
|
N
|
C:GLY41
|
4.5
|
22.5
|
1.0
|
C
|
C:ASP47
|
4.6
|
27.4
|
1.0
|
N
|
C:GLY45
|
4.6
|
35.0
|
1.0
|
CB
|
C:ASP47
|
4.6
|
27.6
|
1.0
|
O
|
C:ASP43
|
4.6
|
24.4
|
1.0
|
N
|
C:ASN46
|
4.7
|
25.5
|
1.0
|
CA
|
C:ASP47
|
4.7
|
26.4
|
1.0
|
CA
|
C:GLY41
|
4.7
|
22.8
|
1.0
|
CB
|
C:ASP40
|
4.7
|
26.5
|
1.0
|
O
|
C:ASP521
|
4.8
|
23.2
|
1.0
|
CA
|
C:TYR48
|
4.8
|
24.6
|
1.0
|
N
|
C:GLN42
|
4.9
|
21.0
|
1.0
|
CB
|
C:TYR48
|
4.9
|
24.6
|
1.0
|
C
|
C:GLY45
|
5.0
|
27.8
|
1.0
|
CA
|
C:GLY45
|
5.0
|
28.0
|
1.0
|
C
|
C:GLY41
|
5.0
|
26.5
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6mvh
Go back to
Calcium Binding Sites List in 6mvh
Calcium binding site 4 out
of 4 in the Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of Fmn-Binding Beta-Glucuronidase From Roseburia Hominis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca801
b:33.3
occ:1.00
|
OD1
|
D:ASP43
|
2.3
|
29.4
|
1.0
|
O
|
D:ASP40
|
2.4
|
26.3
|
1.0
|
OD2
|
D:ASP47
|
2.4
|
30.7
|
1.0
|
O
|
D:GLY44
|
2.5
|
36.8
|
1.0
|
OD1
|
D:ASP521
|
2.5
|
29.9
|
1.0
|
OD2
|
D:ASP521
|
2.7
|
31.5
|
1.0
|
CG
|
D:ASP521
|
2.9
|
29.7
|
1.0
|
C
|
D:ASP40
|
3.3
|
25.2
|
1.0
|
CG
|
D:ASP43
|
3.4
|
30.8
|
1.0
|
CG
|
D:ASP47
|
3.5
|
30.0
|
1.0
|
C
|
D:GLY44
|
3.6
|
35.0
|
1.0
|
N
|
D:GLY44
|
3.7
|
29.4
|
1.0
|
OD2
|
D:ASP43
|
3.8
|
30.5
|
1.0
|
CA
|
D:ASP40
|
3.9
|
27.4
|
1.0
|
OD1
|
D:ASP47
|
4.0
|
38.2
|
1.0
|
CA
|
D:GLY44
|
4.2
|
31.7
|
1.0
|
N
|
D:ASP47
|
4.3
|
28.9
|
1.0
|
C
|
D:ASP43
|
4.3
|
29.1
|
1.0
|
N
|
D:TYR48
|
4.3
|
26.1
|
1.0
|
N
|
D:GLY41
|
4.3
|
21.7
|
1.0
|
CB
|
D:ASP40
|
4.4
|
27.1
|
1.0
|
N
|
D:ASP43
|
4.4
|
29.8
|
1.0
|
CB
|
D:ASP521
|
4.4
|
32.3
|
1.0
|
CA
|
D:GLY41
|
4.5
|
25.5
|
1.0
|
CB
|
D:ASP43
|
4.6
|
24.5
|
1.0
|
C
|
D:ASP47
|
4.6
|
28.1
|
1.0
|
CA
|
D:ASP43
|
4.6
|
30.7
|
1.0
|
N
|
D:GLY45
|
4.7
|
39.7
|
1.0
|
N
|
D:ASN46
|
4.7
|
31.7
|
1.0
|
CB
|
D:ASP47
|
4.7
|
29.7
|
1.0
|
CA
|
D:TYR48
|
4.7
|
28.8
|
1.0
|
CA
|
D:ASP47
|
4.8
|
34.6
|
1.0
|
CB
|
D:TYR48
|
4.8
|
26.6
|
1.0
|
N
|
D:GLN42
|
4.9
|
28.0
|
1.0
|
O
|
D:ASP43
|
5.0
|
28.6
|
1.0
|
O
|
D:ASP521
|
5.0
|
32.3
|
1.0
|
C
|
D:GLY41
|
5.0
|
28.6
|
1.0
|
|
Reference:
S.J.Pellock,
W.G.Walton,
S.M.Ervin,
D.Torres-Rivera,
B.C.Creekmore,
G.Bergan,
Z.D.Dunn,
B.Li,
A.Tripathy,
M.R.Redinbo.
Discovery and Characterization of Fmn-Binding Beta-Glucuronidases in the Human Gut Microbiome. J. Mol. Biol. V. 431 970 2019.
ISSN: ESSN 1089-8638
PubMed: 30658055
DOI: 10.1016/J.JMB.2019.01.013
Page generated: Tue Jul 16 11:28:56 2024
|