Chlorine in PDB 6a4q: Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Enzymatic activity of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
All present enzymatic activity of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes:
3.2.1.17;
Protein crystallography data
The structure of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes, PDB code: 6a4q
was solved by
R.Tushar,
R.M.Kini,
C.Y.Koh,
M.V.Hosur,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
55.76 /
1.75
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.860,
78.860,
37.010,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.6 /
21.5
|
Other elements in 6a4q:
The structure of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
(pdb code 6a4q). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes, PDB code: 6a4q:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 1 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:18.1
occ:1.00
|
OH
|
A:TYR23
|
3.0
|
10.2
|
1.0
|
O
|
A:HOH382
|
3.2
|
14.0
|
1.0
|
CE2
|
A:TYR23
|
3.6
|
9.9
|
1.0
|
CZ
|
A:TYR23
|
3.6
|
9.4
|
1.0
|
CA
|
A:GLY104
|
4.3
|
13.2
|
1.0
|
O
|
A:ARG21
|
4.6
|
13.3
|
1.0
|
CD2
|
A:TYR23
|
4.8
|
9.7
|
1.0
|
CE1
|
A:TYR23
|
4.8
|
9.1
|
1.0
|
N
|
A:GLY104
|
4.9
|
13.9
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 2 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl216
b:38.5
occ:1.00
|
NH1
|
A:ARG73
|
3.0
|
28.6
|
1.0
|
N
|
A:ASN74
|
3.0
|
14.3
|
1.0
|
O
|
A:HOH431
|
3.5
|
43.5
|
1.0
|
O
|
A:HOH305
|
3.5
|
30.4
|
1.0
|
O
|
A:HOH398
|
3.5
|
21.8
|
1.0
|
CA
|
A:ARG73
|
3.8
|
16.3
|
1.0
|
CZ
|
A:ARG73
|
3.8
|
27.3
|
1.0
|
CA
|
A:ASN74
|
3.8
|
13.6
|
1.0
|
N1
|
A:GAI207
|
3.8
|
30.8
|
1.0
|
C
|
A:ARG73
|
3.8
|
15.5
|
1.0
|
C
|
A:ASN74
|
4.0
|
14.2
|
1.0
|
CB
|
A:ASN74
|
4.0
|
13.6
|
1.0
|
O
|
A:ASN74
|
4.0
|
14.1
|
1.0
|
CB
|
A:ARG73
|
4.0
|
18.1
|
1.0
|
CD
|
A:ARG73
|
4.1
|
22.1
|
1.0
|
O
|
A:HOH373
|
4.2
|
27.0
|
1.0
|
NE
|
A:ARG73
|
4.2
|
24.6
|
1.0
|
N
|
A:LEU75
|
4.6
|
14.2
|
1.0
|
CG
|
A:ARG73
|
4.7
|
20.2
|
1.0
|
NH2
|
A:ARG73
|
4.7
|
28.6
|
1.0
|
CD2
|
A:LEU75
|
4.8
|
16.8
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 3 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl217
b:31.2
occ:1.00
|
CE2
|
A:PHE38
|
3.7
|
10.8
|
1.0
|
NZ
|
A:LYS33
|
3.8
|
13.8
|
1.0
|
O
|
A:HOH389
|
3.9
|
35.7
|
1.0
|
CZ3
|
A:TRP123
|
4.0
|
14.5
|
1.0
|
CE
|
A:LYS33
|
4.1
|
12.7
|
1.0
|
CD
|
A:ARG5
|
4.1
|
16.0
|
1.0
|
CB
|
A:ARG5
|
4.2
|
14.7
|
1.0
|
CD
|
A:LYS33
|
4.3
|
12.3
|
1.0
|
CZ
|
A:PHE38
|
4.5
|
10.8
|
1.0
|
CD2
|
A:PHE38
|
4.5
|
10.8
|
1.0
|
CG
|
A:ARG5
|
4.5
|
15.1
|
1.0
|
CE3
|
A:TRP123
|
4.8
|
14.3
|
1.0
|
NE
|
A:ARG5
|
4.8
|
17.2
|
1.0
|
CH2
|
A:TRP123
|
4.9
|
14.2
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 4 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl218
b:16.1
occ:1.00
|
O
|
A:HOH359
|
3.1
|
9.6
|
1.0
|
O
|
A:THR69
|
3.2
|
12.8
|
1.0
|
N
|
A:THR69
|
3.3
|
12.4
|
1.0
|
O
|
A:HOH369
|
3.3
|
14.2
|
1.0
|
OD1
|
A:ASN65
|
3.5
|
11.5
|
1.0
|
N
|
A:ARG68
|
3.5
|
11.9
|
1.0
|
CA
|
A:GLY67
|
3.6
|
11.2
|
1.0
|
C
|
A:GLY67
|
3.6
|
11.7
|
1.0
|
OG
|
A:SER72
|
3.6
|
14.4
|
1.0
|
C
|
A:THR69
|
3.6
|
12.8
|
1.0
|
N
|
A:GLY67
|
3.7
|
10.9
|
1.0
|
O
|
A:HOH378
|
3.9
|
10.8
|
1.0
|
CA
|
A:THR69
|
3.9
|
12.2
|
1.0
|
C
|
A:ARG68
|
4.3
|
12.2
|
1.0
|
O
|
A:GLY67
|
4.3
|
12.1
|
1.0
|
OD1
|
A:ASP66
|
4.3
|
8.9
|
1.0
|
CB
|
A:THR69
|
4.3
|
11.5
|
1.0
|
CA
|
A:ARG68
|
4.4
|
12.9
|
1.0
|
N
|
A:PRO70
|
4.5
|
13.5
|
1.0
|
NA
|
A:NA202
|
4.7
|
10.8
|
1.0
|
O
|
A:HOH367
|
4.7
|
19.1
|
0.5
|
CG
|
A:ASN65
|
4.7
|
11.1
|
1.0
|
C
|
A:ASP66
|
4.8
|
10.6
|
1.0
|
OG1
|
A:THR69
|
4.9
|
11.3
|
1.0
|
CB
|
A:SER72
|
4.9
|
14.4
|
1.0
|
CA
|
A:PRO70
|
4.9
|
13.9
|
1.0
|
N
|
A:ASP66
|
5.0
|
10.2
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 5 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl219
b:30.6
occ:1.00
|
N
|
A:ILE88
|
3.3
|
15.1
|
1.0
|
O
|
A:HOH393
|
3.4
|
25.6
|
1.0
|
CG1
|
A:ILE88
|
3.5
|
12.0
|
1.0
|
O
|
A:HOH337
|
3.6
|
26.4
|
1.0
|
CE1
|
A:HIS15
|
3.7
|
21.8
|
1.0
|
CA
|
A:ASP87
|
3.8
|
18.9
|
1.0
|
OD1
|
A:ASP87
|
3.9
|
23.7
|
1.0
|
C
|
A:ASP87
|
4.0
|
15.8
|
1.0
|
O
|
A:SER86
|
4.1
|
19.3
|
1.0
|
CG
|
A:ASP87
|
4.1
|
22.2
|
1.0
|
CB
|
A:ILE88
|
4.2
|
13.0
|
1.0
|
CB
|
A:ALA11
|
4.2
|
13.7
|
1.0
|
CZ
|
A:PHE3
|
4.2
|
12.8
|
1.0
|
CG2
|
A:ILE88
|
4.2
|
12.8
|
1.0
|
CA
|
A:ILE88
|
4.3
|
13.7
|
1.0
|
CD1
|
A:ILE88
|
4.4
|
13.0
|
1.0
|
NE2
|
A:HIS15
|
4.4
|
21.9
|
1.0
|
CB
|
A:ASP87
|
4.5
|
21.0
|
1.0
|
ND1
|
A:HIS15
|
4.6
|
21.7
|
1.0
|
OD2
|
A:ASP87
|
4.6
|
23.7
|
1.0
|
O
|
A:HOH370
|
4.7
|
39.2
|
1.0
|
O
|
A:HOH361
|
4.7
|
51.6
|
1.0
|
N
|
A:ASP87
|
4.8
|
18.4
|
1.0
|
CE2
|
A:PHE3
|
4.9
|
13.0
|
1.0
|
C
|
A:SER86
|
4.9
|
18.6
|
1.0
|
N
|
A:THR89
|
4.9
|
13.5
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 6 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl220
b:17.4
occ:1.00
|
O
|
A:HOH302
|
2.9
|
35.7
|
1.0
|
OG
|
A:SER24
|
3.0
|
10.9
|
1.0
|
CD1
|
A:ILE124
|
3.2
|
15.2
|
0.1
|
N
|
A:GLY26
|
3.2
|
10.4
|
1.0
|
CB
|
A:SER24
|
3.5
|
11.1
|
1.0
|
CA
|
A:GLY26
|
3.5
|
10.0
|
1.0
|
CA
|
A:GLN121
|
3.6
|
17.4
|
1.0
|
N
|
A:GLN121
|
3.9
|
16.3
|
1.0
|
CG1
|
A:ILE124
|
3.9
|
15.3
|
0.1
|
CD1
|
A:ILE124
|
4.0
|
16.0
|
0.8
|
CB
|
A:GLN121
|
4.1
|
20.4
|
1.0
|
CG2
|
A:VAL120
|
4.2
|
14.8
|
1.0
|
N
|
A:LEU25
|
4.2
|
12.1
|
1.0
|
C
|
A:VAL120
|
4.2
|
15.0
|
1.0
|
O
|
A:VAL120
|
4.2
|
13.8
|
1.0
|
CG1
|
A:ILE124
|
4.3
|
15.6
|
0.8
|
C
|
A:SER24
|
4.3
|
11.6
|
1.0
|
CG
|
A:GLN121
|
4.4
|
23.9
|
1.0
|
C
|
A:LEU25
|
4.4
|
11.5
|
1.0
|
CA
|
A:SER24
|
4.5
|
11.3
|
1.0
|
C
|
A:GLY26
|
4.6
|
9.8
|
1.0
|
CA
|
A:LEU25
|
4.7
|
12.3
|
1.0
|
N2
|
A:GAI214
|
4.7
|
35.2
|
1.0
|
N
|
A:ASN27
|
4.7
|
9.8
|
1.0
|
C
|
A:GLN121
|
4.8
|
15.9
|
1.0
|
O
|
A:SER24
|
4.8
|
11.7
|
1.0
|
CB
|
A:VAL120
|
5.0
|
13.1
|
1.0
|
O
|
A:GLN121
|
5.0
|
16.0
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 6a4q
Go back to
Chlorine Binding Sites List in 6a4q
Chlorine binding site 7 out
of 7 in the Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Hewl Crystals Soaked in 2.5M Guhcl For 110 Minutes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl221
b:35.9
occ:1.00
|
N
|
A:LEU25
|
3.0
|
12.1
|
1.0
|
CB
|
A:ASP18
|
3.5
|
23.3
|
1.0
|
N
|
A:ASN19
|
3.5
|
19.3
|
0.3
|
N
|
A:ASN19
|
3.5
|
19.4
|
0.7
|
CA
|
A:SER24
|
3.6
|
11.3
|
1.0
|
CB
|
A:LEU25
|
3.7
|
13.5
|
1.0
|
CA
|
A:ASP18
|
3.8
|
20.6
|
1.0
|
C
|
A:SER24
|
3.8
|
11.6
|
1.0
|
C
|
A:ASP18
|
3.8
|
19.9
|
1.0
|
CA
|
A:LEU25
|
3.9
|
12.3
|
1.0
|
CB
|
A:SER24
|
4.0
|
11.1
|
1.0
|
CB
|
A:ASN19
|
4.3
|
19.6
|
0.3
|
CB
|
A:ASN19
|
4.3
|
20.5
|
0.7
|
CA
|
A:ASN19
|
4.4
|
19.1
|
0.3
|
CA
|
A:ASN19
|
4.4
|
19.5
|
0.7
|
OD1
|
A:ASN19
|
4.6
|
22.8
|
0.7
|
O
|
A:ASP18
|
4.7
|
19.8
|
1.0
|
CG
|
A:ASP18
|
4.8
|
24.8
|
1.0
|
CG
|
A:ASN19
|
4.8
|
21.6
|
0.7
|
ND2
|
A:ASN19
|
4.8
|
20.2
|
0.3
|
CG
|
A:ASN19
|
4.8
|
19.8
|
0.3
|
N
|
A:SER24
|
4.9
|
10.9
|
1.0
|
CG
|
A:LEU25
|
4.9
|
14.0
|
1.0
|
O
|
A:TYR23
|
5.0
|
9.7
|
1.0
|
OD2
|
A:ASP18
|
5.0
|
26.0
|
1.0
|
|
Reference:
T.Raskar,
C.Y.Koh,
S.Niebling,
R.M.Kini,
M.V.Hosur.
X-Ray Crystallographic Analysis of Time-Dependent Binding of Guanidine Hydrochloride to Hewl: First Steps During Protein Unfolding. Int. J. Biol. Macromol. V. 122 903 2019.
ISSN: ISSN 1879-0003
PubMed: 30412756
DOI: 10.1016/J.IJBIOMAC.2018.11.023
Page generated: Fri Jul 26 21:53:07 2024
|