Chlorine in PDB 6ac2: Crystal Structure of Hewl at pH 2.2
Enzymatic activity of Crystal Structure of Hewl at pH 2.2
All present enzymatic activity of Crystal Structure of Hewl at pH 2.2:
3.2.1.17;
Protein crystallography data
The structure of Crystal Structure of Hewl at pH 2.2, PDB code: 6ac2
was solved by
A.Seyedarabi,
Z.Seraj,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
55.25 /
1.23
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.130,
78.130,
36.940,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.7 /
18.4
|
Other elements in 6ac2:
The structure of Crystal Structure of Hewl at pH 2.2 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Hewl at pH 2.2
(pdb code 6ac2). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Crystal Structure of Hewl at pH 2.2, PDB code: 6ac2:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 6ac2
Go back to
Chlorine Binding Sites List in 6ac2
Chlorine binding site 1 out
of 3 in the Crystal Structure of Hewl at pH 2.2
 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 Hewl at pH 2.2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:14.9
occ:1.00
|
OH
|
A:TYR23
|
3.0
|
11.9
|
1.0
|
O
|
A:HOH415
|
3.2
|
31.4
|
1.0
|
O
|
A:HOH371
|
3.2
|
14.0
|
1.0
|
CE2
|
A:TYR23
|
3.7
|
11.3
|
1.0
|
CZ
|
A:TYR23
|
3.7
|
10.7
|
1.0
|
CA
|
A:GLY104
|
4.1
|
11.1
|
1.0
|
O
|
A:ARG21
|
4.6
|
13.5
|
1.0
|
N
|
A:GLY104
|
4.6
|
12.0
|
1.0
|
CE1
|
A:TYR23
|
4.9
|
10.5
|
1.0
|
CD2
|
A:TYR23
|
4.9
|
11.1
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 6ac2
Go back to
Chlorine Binding Sites List in 6ac2
Chlorine binding site 2 out
of 3 in the Crystal Structure of Hewl at pH 2.2
 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 Hewl at pH 2.2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:19.4
occ:1.00
|
O
|
A:HOH429
|
2.9
|
36.5
|
1.0
|
OG
|
A:SER24
|
3.1
|
17.5
|
1.0
|
N
|
A:GLY26
|
3.1
|
12.1
|
1.0
|
CA
|
A:GLY26
|
3.5
|
11.8
|
1.0
|
CB
|
A:SER24
|
3.5
|
15.1
|
1.0
|
CA
|
A:GLN121
|
3.6
|
19.4
|
1.0
|
CD1
|
A:ILE124
|
3.8
|
27.0
|
1.0
|
CB
|
A:GLN121
|
3.9
|
22.2
|
1.0
|
N
|
A:GLN121
|
4.0
|
16.4
|
1.0
|
N
|
A:LEU25
|
4.1
|
12.5
|
1.0
|
CG
|
A:GLN121
|
4.2
|
26.3
|
1.0
|
CG1
|
A:ILE124
|
4.2
|
19.5
|
1.0
|
C
|
A:LEU25
|
4.2
|
13.2
|
1.0
|
O
|
A:VAL120
|
4.2
|
15.1
|
1.0
|
CG2
|
A:VAL120
|
4.3
|
17.2
|
1.0
|
C
|
A:SER24
|
4.3
|
13.2
|
1.0
|
C
|
A:VAL120
|
4.3
|
15.5
|
1.0
|
C
|
A:GLY26
|
4.5
|
10.8
|
1.0
|
CA
|
A:SER24
|
4.5
|
12.4
|
1.0
|
CA
|
A:LEU25
|
4.6
|
13.0
|
1.0
|
N
|
A:ASN27
|
4.6
|
10.7
|
1.0
|
O
|
A:SER24
|
4.7
|
14.3
|
1.0
|
C
|
A:GLN121
|
4.9
|
14.9
|
1.0
|
CB
|
A:LEU25
|
5.0
|
14.8
|
1.0
|
O
|
A:HOH432
|
5.0
|
49.2
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 6ac2
Go back to
Chlorine Binding Sites List in 6ac2
Chlorine binding site 3 out
of 3 in the Crystal Structure of Hewl at pH 2.2
 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 Hewl at pH 2.2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl205
b:13.9
occ:1.00
|
O
|
A:HOH366
|
3.1
|
10.8
|
1.0
|
O
|
A:HOH463
|
3.1
|
22.0
|
1.0
|
O
|
A:HOH430
|
3.1
|
17.9
|
1.0
|
O
|
A:HOH345
|
3.3
|
23.9
|
1.0
|
N
|
A:THR69
|
3.3
|
11.0
|
1.0
|
O
|
A:THR69
|
3.4
|
12.0
|
1.0
|
C
|
A:GLY67
|
3.5
|
12.2
|
1.0
|
N
|
A:ARG68
|
3.5
|
11.8
|
1.0
|
CA
|
A:GLY67
|
3.6
|
11.5
|
1.0
|
OG
|
A:SER72
|
3.6
|
12.7
|
1.0
|
N
|
A:GLY67
|
3.7
|
10.6
|
1.0
|
C
|
A:THR69
|
3.7
|
12.1
|
1.0
|
OD1
|
A:ASN65
|
3.7
|
13.4
|
1.0
|
CA
|
A:THR69
|
3.9
|
11.4
|
1.0
|
O
|
A:HOH398
|
3.9
|
13.7
|
1.0
|
O
|
A:GLY67
|
4.2
|
13.7
|
1.0
|
CB
|
A:THR69
|
4.3
|
10.7
|
1.0
|
OD1
|
A:ASP66
|
4.3
|
8.7
|
1.0
|
C
|
A:ARG68
|
4.3
|
12.5
|
1.0
|
CA
|
A:ARG68
|
4.4
|
12.2
|
1.0
|
O
|
A:HOH494
|
4.4
|
29.2
|
1.0
|
N
|
A:PRO70
|
4.5
|
12.5
|
1.0
|
NA
|
A:NA206
|
4.7
|
11.2
|
1.0
|
C
|
A:ASP66
|
4.7
|
10.0
|
1.0
|
O
|
A:HOH403
|
4.8
|
18.4
|
0.5
|
O
|
A:HOH466
|
4.8
|
36.4
|
1.0
|
OG1
|
A:THR69
|
4.9
|
10.6
|
1.0
|
CB
|
A:SER72
|
4.9
|
12.7
|
1.0
|
CG
|
A:ASN65
|
4.9
|
12.4
|
1.0
|
N
|
A:ASP66
|
4.9
|
9.3
|
1.0
|
|
Reference:
A.Seyedarabi,
Z.Seraj.
Crystal Structure of Hewl at pH 2.2 To Be Published.
Page generated: Sat Dec 12 12:43:26 2020
|