Chlorine in PDB 3wf3: Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
Enzymatic activity of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
All present enzymatic activity of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose:
3.2.1.23;
Protein crystallography data
The structure of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose, PDB code: 3wf3
was solved by
H.Suzuki,
U.Ohto,
T.Shimizu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.30 /
2.15
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.960,
115.888,
140.284,
90.00,
92.23,
90.00
|
R / Rfree (%)
|
19.6 /
24.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
(pdb code 3wf3). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose, PDB code: 3wf3:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 3wf3
Go back to
Chlorine Binding Sites List in 3wf3
Chlorine binding site 1 out
of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl706
b:21.4
occ:1.00
|
OG
|
A:SER54
|
3.1
|
23.9
|
1.0
|
NE2
|
A:HIS56
|
3.1
|
20.4
|
1.0
|
NH2
|
A:ARG121
|
3.1
|
16.2
|
1.0
|
NE
|
A:ARG121
|
3.3
|
17.2
|
1.0
|
CZ
|
A:ARG121
|
3.6
|
17.7
|
1.0
|
CD2
|
A:HIS56
|
3.7
|
22.0
|
1.0
|
CG
|
A:GLN81
|
3.8
|
25.4
|
1.0
|
O
|
A:GLN81
|
3.8
|
22.0
|
1.0
|
CB
|
A:SER54
|
3.8
|
21.8
|
1.0
|
CA
|
A:THR82
|
3.8
|
20.2
|
1.0
|
C
|
A:GLN81
|
3.9
|
21.9
|
1.0
|
NE2
|
A:GLN81
|
3.9
|
21.9
|
1.0
|
CD2
|
A:TYR83
|
3.9
|
20.4
|
1.0
|
C
|
A:THR82
|
3.9
|
22.3
|
1.0
|
N
|
A:THR82
|
4.0
|
20.6
|
1.0
|
CE2
|
A:TYR83
|
4.0
|
18.6
|
1.0
|
CE2
|
A:TYR306
|
4.1
|
20.3
|
1.0
|
N
|
A:TYR83
|
4.1
|
20.7
|
1.0
|
CG
|
A:TYR83
|
4.2
|
20.1
|
1.0
|
CD2
|
A:TYR306
|
4.2
|
19.3
|
1.0
|
CE1
|
A:HIS56
|
4.3
|
21.4
|
1.0
|
CB
|
A:GLN81
|
4.3
|
24.3
|
1.0
|
O
|
A:THR82
|
4.3
|
22.2
|
1.0
|
CD
|
A:GLN81
|
4.3
|
24.3
|
1.0
|
CZ
|
A:TYR83
|
4.5
|
19.9
|
1.0
|
CD
|
A:ARG121
|
4.5
|
17.6
|
1.0
|
CA
|
A:SER54
|
4.6
|
20.6
|
1.0
|
CD1
|
A:TYR83
|
4.6
|
20.8
|
1.0
|
CA
|
A:GLN81
|
4.7
|
23.1
|
1.0
|
CE1
|
A:TYR83
|
4.8
|
20.9
|
1.0
|
CB
|
A:TYR83
|
4.8
|
21.4
|
1.0
|
CG
|
A:ARG121
|
4.9
|
17.7
|
1.0
|
CA
|
A:TYR83
|
4.9
|
20.5
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 3wf3
Go back to
Chlorine Binding Sites List in 3wf3
Chlorine binding site 2 out
of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl705
b:20.2
occ:1.00
|
OG
|
B:SER54
|
2.9
|
20.5
|
1.0
|
NH2
|
B:ARG121
|
3.2
|
19.5
|
1.0
|
NE2
|
B:HIS56
|
3.2
|
22.2
|
1.0
|
NE
|
B:ARG121
|
3.3
|
19.8
|
1.0
|
CZ
|
B:ARG121
|
3.6
|
20.1
|
1.0
|
CB
|
B:SER54
|
3.7
|
20.4
|
1.0
|
CD2
|
B:HIS56
|
3.8
|
21.9
|
1.0
|
CG
|
B:GLN81
|
3.9
|
22.4
|
1.0
|
O
|
B:GLN81
|
3.9
|
20.5
|
1.0
|
NE2
|
B:GLN81
|
3.9
|
21.8
|
1.0
|
CA
|
B:THR82
|
3.9
|
21.2
|
1.0
|
C
|
B:GLN81
|
4.0
|
21.4
|
1.0
|
N
|
B:THR82
|
4.0
|
22.8
|
1.0
|
C
|
B:THR82
|
4.0
|
21.9
|
1.0
|
CE2
|
B:TYR306
|
4.1
|
17.6
|
1.0
|
CD2
|
B:TYR83
|
4.1
|
17.8
|
1.0
|
CD2
|
B:TYR306
|
4.2
|
18.9
|
1.0
|
N
|
B:TYR83
|
4.2
|
17.4
|
1.0
|
CE2
|
B:TYR83
|
4.2
|
18.5
|
1.0
|
CG
|
B:TYR83
|
4.3
|
16.8
|
1.0
|
CB
|
B:GLN81
|
4.3
|
22.0
|
1.0
|
CE1
|
B:HIS56
|
4.4
|
21.6
|
1.0
|
CD
|
B:GLN81
|
4.4
|
23.3
|
1.0
|
O
|
B:THR82
|
4.5
|
23.3
|
1.0
|
CA
|
B:SER54
|
4.5
|
20.4
|
1.0
|
CD
|
B:ARG121
|
4.5
|
21.9
|
1.0
|
CZ
|
B:TYR83
|
4.6
|
19.5
|
1.0
|
CD1
|
B:TYR83
|
4.6
|
16.8
|
1.0
|
CE1
|
B:TYR83
|
4.8
|
17.0
|
1.0
|
CG
|
B:ARG121
|
4.8
|
19.4
|
1.0
|
CA
|
B:GLN81
|
4.8
|
21.9
|
1.0
|
CB
|
B:TYR83
|
4.9
|
16.4
|
1.0
|
NH1
|
B:ARG121
|
5.0
|
20.9
|
1.0
|
ND2
|
B:ASN304
|
5.0
|
24.6
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 3wf3
Go back to
Chlorine Binding Sites List in 3wf3
Chlorine binding site 3 out
of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl705
b:21.2
occ:1.00
|
OG
|
C:SER54
|
2.9
|
20.4
|
1.0
|
NH2
|
C:ARG121
|
3.1
|
24.6
|
1.0
|
NE2
|
C:HIS56
|
3.2
|
17.8
|
1.0
|
NE
|
C:ARG121
|
3.3
|
23.9
|
1.0
|
CZ
|
C:ARG121
|
3.6
|
25.1
|
1.0
|
CB
|
C:SER54
|
3.7
|
20.5
|
1.0
|
NE2
|
C:GLN81
|
3.7
|
18.4
|
1.0
|
O
|
C:GLN81
|
3.7
|
25.0
|
1.0
|
CG
|
C:GLN81
|
3.7
|
18.1
|
1.0
|
CA
|
C:THR82
|
3.7
|
17.9
|
1.0
|
N
|
C:THR82
|
3.8
|
18.4
|
1.0
|
C
|
C:GLN81
|
3.8
|
18.9
|
1.0
|
CD2
|
C:HIS56
|
3.8
|
17.2
|
1.0
|
C
|
C:THR82
|
3.9
|
19.0
|
1.0
|
CD2
|
C:TYR83
|
4.1
|
17.6
|
1.0
|
N
|
C:TYR83
|
4.1
|
17.9
|
1.0
|
CB
|
C:GLN81
|
4.1
|
18.3
|
1.0
|
CE2
|
C:TYR83
|
4.2
|
17.0
|
1.0
|
CE2
|
C:TYR306
|
4.2
|
21.7
|
1.0
|
CD
|
C:GLN81
|
4.3
|
17.1
|
1.0
|
CG
|
C:TYR83
|
4.3
|
17.6
|
1.0
|
CD2
|
C:TYR306
|
4.3
|
23.8
|
1.0
|
CE1
|
C:HIS56
|
4.4
|
16.7
|
1.0
|
O
|
C:THR82
|
4.4
|
23.0
|
1.0
|
CA
|
C:SER54
|
4.4
|
19.5
|
1.0
|
CZ
|
C:TYR83
|
4.5
|
18.7
|
1.0
|
CD
|
C:ARG121
|
4.5
|
23.2
|
1.0
|
CA
|
C:GLN81
|
4.6
|
18.4
|
1.0
|
CD1
|
C:TYR83
|
4.6
|
18.4
|
1.0
|
CE1
|
C:TYR83
|
4.7
|
19.4
|
1.0
|
CG
|
C:ARG121
|
4.7
|
23.3
|
1.0
|
ND2
|
C:ASN304
|
4.9
|
19.2
|
1.0
|
NH1
|
C:ARG121
|
5.0
|
25.7
|
1.0
|
CB
|
C:TYR83
|
5.0
|
17.9
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 3wf3
Go back to
Chlorine Binding Sites List in 3wf3
Chlorine binding site 4 out
of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with Galactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl705
b:20.5
occ:1.00
|
OG
|
D:SER54
|
2.9
|
20.8
|
1.0
|
NE2
|
D:HIS56
|
3.1
|
18.5
|
1.0
|
NH2
|
D:ARG121
|
3.2
|
22.7
|
1.0
|
NE
|
D:ARG121
|
3.4
|
23.1
|
1.0
|
O
|
D:GLN81
|
3.6
|
20.2
|
1.0
|
CG
|
D:GLN81
|
3.7
|
20.5
|
1.0
|
CZ
|
D:ARG121
|
3.7
|
24.2
|
1.0
|
CB
|
D:SER54
|
3.7
|
18.8
|
1.0
|
CD2
|
D:HIS56
|
3.8
|
17.5
|
1.0
|
NE2
|
D:GLN81
|
3.9
|
20.6
|
1.0
|
C
|
D:GLN81
|
3.9
|
19.4
|
1.0
|
CA
|
D:THR82
|
4.0
|
20.0
|
1.0
|
C
|
D:THR82
|
4.0
|
20.6
|
1.0
|
CE2
|
D:TYR306
|
4.1
|
18.4
|
1.0
|
CD2
|
D:TYR83
|
4.1
|
19.2
|
1.0
|
N
|
D:TYR83
|
4.1
|
20.1
|
1.0
|
N
|
D:THR82
|
4.1
|
20.5
|
1.0
|
CD2
|
D:TYR306
|
4.2
|
20.2
|
1.0
|
CB
|
D:GLN81
|
4.2
|
19.9
|
1.0
|
CE2
|
D:TYR83
|
4.2
|
19.3
|
1.0
|
CE1
|
D:HIS56
|
4.3
|
19.8
|
1.0
|
CD
|
D:GLN81
|
4.3
|
22.2
|
1.0
|
O
|
D:THR82
|
4.4
|
22.5
|
1.0
|
CG
|
D:TYR83
|
4.4
|
18.3
|
1.0
|
CA
|
D:SER54
|
4.4
|
17.7
|
1.0
|
CD
|
D:ARG121
|
4.6
|
23.2
|
1.0
|
CZ
|
D:TYR83
|
4.6
|
17.4
|
1.0
|
CD1
|
D:TYR83
|
4.7
|
17.4
|
1.0
|
CA
|
D:GLN81
|
4.8
|
19.0
|
1.0
|
CE1
|
D:TYR83
|
4.8
|
18.3
|
1.0
|
CG
|
D:ARG121
|
4.9
|
22.4
|
1.0
|
ND2
|
D:ASN304
|
4.9
|
21.2
|
1.0
|
CB
|
D:TYR83
|
5.0
|
19.4
|
1.0
|
|
Reference:
H.Suzuki,
U.Ohto,
K.Higaki,
T.Mena-Barragan,
M.Aguilar-Moncayo,
C.Ortiz Mellet,
E.Nanba,
J.M.Garcia Fernandez,
Y.Suzuki,
T.Shimizu.
Structural Basis of Pharmacological Chaperoning For Human Beta-Galactosidase To Be Published.
Page generated: Sun Jul 21 07:29:28 2024
|