Chlorine in PDB 3pij: Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Enzymatic activity of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
All present enzymatic activity of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose:
3.2.1.26;
Protein crystallography data
The structure of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose, PDB code: 3pij
was solved by
A.Bujacz,
G.Bujacz,
I.Redzynia,
M.Krzepkowska-Jedrzejczak,
S.Bielecki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.40 /
1.80
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.765,
86.765,
223.868,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
15.3 /
20.8
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
(pdb code 3pij). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose, PDB code: 3pij:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 3pij
Go back to
Chlorine Binding Sites List in 3pij
Chlorine binding site 1 out
of 5 in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl528
b:30.0
occ:1.00
|
N
|
A:GLU387
|
3.1
|
22.8
|
1.0
|
O
|
A:HOH1006
|
3.2
|
17.8
|
1.0
|
N
|
A:ALA388
|
3.3
|
18.4
|
1.0
|
O
|
A:ALA388
|
3.6
|
19.9
|
1.0
|
CB
|
A:GLU387
|
3.6
|
23.8
|
1.0
|
ND1
|
A:HIS511
|
3.7
|
27.5
|
1.0
|
CA
|
A:GLU387
|
3.8
|
22.9
|
1.0
|
CG1
|
A:VAL389
|
4.0
|
17.5
|
1.0
|
C
|
A:GLU387
|
4.0
|
21.2
|
1.0
|
C
|
A:ALA386
|
4.1
|
25.1
|
1.0
|
C
|
A:ALA388
|
4.1
|
17.7
|
1.0
|
CA
|
A:ALA386
|
4.2
|
25.2
|
1.0
|
CA
|
A:ALA388
|
4.2
|
18.5
|
1.0
|
O
|
A:ASP385
|
4.4
|
30.0
|
1.0
|
CE1
|
A:HIS523
|
4.4
|
60.9
|
1.0
|
CE1
|
A:HIS511
|
4.4
|
26.3
|
1.0
|
O
|
A:HOH581
|
4.4
|
28.9
|
1.0
|
OE2
|
A:GLU387
|
4.6
|
38.2
|
1.0
|
CG
|
A:HIS511
|
4.7
|
24.9
|
1.0
|
CB
|
A:ALA388
|
4.7
|
19.2
|
1.0
|
CG
|
A:GLU387
|
4.8
|
29.8
|
1.0
|
ND1
|
A:HIS523
|
4.8
|
61.1
|
1.0
|
CB
|
A:HIS511
|
5.0
|
23.3
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 3pij
Go back to
Chlorine Binding Sites List in 3pij
Chlorine binding site 2 out
of 5 in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl529
b:38.2
occ:1.00
|
O
|
A:HOH1066
|
2.8
|
27.1
|
1.0
|
O
|
A:HOH674
|
3.0
|
16.0
|
1.0
|
NH1
|
A:ARG428
|
3.1
|
17.1
|
1.0
|
NH2
|
A:ARG428
|
3.2
|
23.4
|
1.0
|
O
|
A:HOH829
|
3.4
|
15.2
|
1.0
|
CZ
|
A:ARG428
|
3.6
|
21.3
|
1.0
|
CE
|
A:MET266
|
3.8
|
29.3
|
1.0
|
CB
|
A:MET266
|
4.0
|
20.7
|
1.0
|
N
|
A:MET266
|
4.1
|
19.6
|
1.0
|
O
|
A:HOH641
|
4.3
|
15.6
|
1.0
|
CB
|
A:PHE265
|
4.3
|
17.8
|
1.0
|
C
|
A:PHE265
|
4.3
|
18.1
|
1.0
|
CA
|
A:MET266
|
4.4
|
20.0
|
1.0
|
O
|
A:HOH930
|
4.6
|
17.9
|
1.0
|
O
|
A:PHE265
|
4.6
|
19.6
|
1.0
|
CA
|
A:PHE265
|
4.8
|
18.6
|
1.0
|
CG
|
A:PRO447
|
4.8
|
18.8
|
1.0
|
CB
|
A:PRO447
|
4.9
|
19.9
|
1.0
|
NE
|
A:ARG428
|
4.9
|
20.5
|
1.0
|
N
|
A:PHE265
|
4.9
|
18.2
|
1.0
|
SD
|
A:MET266
|
5.0
|
29.1
|
1.0
|
CG
|
A:MET266
|
5.0
|
23.7
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 3pij
Go back to
Chlorine Binding Sites List in 3pij
Chlorine binding site 3 out
of 5 in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl528
b:37.7
occ:1.00
|
O
|
B:HOH668
|
3.1
|
18.1
|
1.0
|
O
|
B:HOH863
|
3.1
|
25.8
|
1.0
|
NH2
|
B:ARG428
|
3.1
|
22.4
|
1.0
|
NH1
|
B:ARG428
|
3.2
|
18.6
|
1.0
|
O
|
B:HOH642
|
3.3
|
16.5
|
1.0
|
CZ
|
B:ARG428
|
3.6
|
22.7
|
1.0
|
CB
|
B:MET266
|
4.0
|
22.6
|
1.0
|
CB
|
B:PHE265
|
4.1
|
14.8
|
1.0
|
CE
|
B:MET266
|
4.2
|
29.1
|
1.0
|
N
|
B:MET266
|
4.2
|
18.9
|
1.0
|
C
|
B:PHE265
|
4.2
|
18.4
|
1.0
|
O
|
B:HOH565
|
4.3
|
15.1
|
1.0
|
CA
|
B:MET266
|
4.3
|
20.4
|
1.0
|
O
|
B:HOH704
|
4.4
|
20.2
|
1.0
|
O
|
B:PHE265
|
4.6
|
19.9
|
1.0
|
CA
|
B:PHE265
|
4.6
|
18.0
|
1.0
|
N
|
B:PHE265
|
4.8
|
17.7
|
1.0
|
CG
|
B:MET266
|
4.9
|
24.7
|
1.0
|
CG
|
B:PRO447
|
4.9
|
21.1
|
1.0
|
NE
|
B:ARG428
|
5.0
|
21.5
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 3pij
Go back to
Chlorine Binding Sites List in 3pij
Chlorine binding site 4 out
of 5 in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl529
b:32.6
occ:1.00
|
N
|
B:GLU387
|
3.2
|
20.8
|
1.0
|
N
|
B:ALA388
|
3.3
|
19.3
|
1.0
|
O
|
B:HOH771
|
3.4
|
22.9
|
1.0
|
CB
|
B:GLU387
|
3.6
|
23.5
|
1.0
|
CD2
|
B:HIS511
|
3.6
|
24.3
|
1.0
|
O
|
B:ALA388
|
3.8
|
18.4
|
1.0
|
CA
|
B:GLU387
|
3.8
|
22.4
|
1.0
|
CG1
|
B:VAL389
|
4.0
|
19.2
|
1.0
|
C
|
B:GLU387
|
4.1
|
21.2
|
1.0
|
O
|
B:HOH640
|
4.1
|
17.3
|
1.0
|
C
|
B:ALA386
|
4.1
|
22.6
|
1.0
|
CA
|
B:ALA386
|
4.2
|
22.2
|
1.0
|
C
|
B:ALA388
|
4.3
|
19.1
|
1.0
|
CA
|
B:ALA388
|
4.3
|
18.9
|
1.0
|
NE2
|
B:HIS511
|
4.4
|
21.4
|
1.0
|
OE2
|
B:GLU387
|
4.5
|
40.8
|
1.0
|
O
|
B:ASP385
|
4.5
|
23.7
|
1.0
|
O
|
B:HOH792
|
4.5
|
27.6
|
1.0
|
CG
|
B:HIS511
|
4.6
|
20.3
|
1.0
|
CG
|
B:GLU387
|
4.8
|
31.8
|
1.0
|
CB
|
B:ALA388
|
4.8
|
17.4
|
1.0
|
CB
|
B:ALA386
|
5.0
|
21.4
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 3pij
Go back to
Chlorine Binding Sites List in 3pij
Chlorine binding site 5 out
of 5 in the Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Beta-Fructofuranosidase From Bifidobacterium Longum - Complex with Fructose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl530
b:24.1
occ:1.00
|
O
|
B:HOH640
|
3.0
|
17.3
|
1.0
|
N
|
B:ASP384
|
3.1
|
21.9
|
1.0
|
OD1
|
B:ASP384
|
3.1
|
27.4
|
0.5
|
N
|
B:ASP385
|
3.2
|
23.9
|
1.0
|
CB
|
B:ALA383
|
3.7
|
21.2
|
1.0
|
CA
|
B:ALA383
|
3.8
|
20.9
|
1.0
|
C
|
B:ALA383
|
3.9
|
21.8
|
1.0
|
O
|
B:ASP385
|
3.9
|
23.7
|
1.0
|
C
|
B:ASP385
|
4.0
|
24.1
|
1.0
|
CA
|
B:ASP384
|
4.0
|
23.6
|
0.5
|
CA
|
B:ASP384
|
4.0
|
23.8
|
0.5
|
C
|
B:ASP384
|
4.1
|
24.1
|
1.0
|
CA
|
B:ASP385
|
4.1
|
24.4
|
1.0
|
CG
|
B:ASP384
|
4.2
|
27.4
|
0.5
|
CB
|
B:ASP384
|
4.3
|
24.4
|
0.5
|
O
|
B:HOH989
|
4.5
|
28.8
|
1.0
|
CB
|
B:ASP384
|
4.6
|
25.2
|
0.5
|
N
|
B:ALA386
|
4.6
|
22.8
|
1.0
|
CB
|
B:ASP385
|
4.7
|
26.2
|
1.0
|
|
Reference:
A.Bujacz,
M.Jedrzejczak-Krzepkowska,
S.Bielecki,
I.Redzynia,
G.Bujacz.
Crystal Structures of the Apo Form of Beta-Fructofuranosidase From Bifidobacterium Longum and Its Complex with Fructose Febs J. V. 278 1728 2011.
ISSN: ISSN 1742-464X
PubMed: 21418142
DOI: 10.1111/J.1742-4658.2011.08098.X
Page generated: Sun Jul 21 02:24:24 2024
|