Chlorine in PDB 3ro8: Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
Enzymatic activity of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
All present enzymatic activity of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2:
3.2.1.8;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2, PDB code: 3ro8
was solved by
E.Pozharski,
F.J.St John,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
42.61 /
1.34
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
82.072,
93.172,
182.947,
90.00,
99.96,
90.00
|
|
R / Rfree (%)
|
14.2 /
18.5
|
Other elements in 3ro8:
The structure of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
(pdb code 3ro8). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2, PDB code: 3ro8:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 1 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-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 the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:15.5
occ:0.70
|
CD
|
A:GLU196
|
0.8
|
13.0
|
0.3
|
|
OE2
|
A:GLU196
|
1.1
|
11.8
|
0.3
|
|
OE1
|
A:GLU196
|
1.2
|
15.9
|
0.3
|
|
CG
|
A:GLU196
|
2.2
|
13.1
|
0.3
|
|
O
|
A:HOH508
|
3.0
|
15.8
|
1.0
|
|
CB
|
A:GLU196
|
3.2
|
11.7
|
0.3
|
|
N
|
A:GLU196
|
3.3
|
13.4
|
0.3
|
|
OH
|
A:TYR235
|
3.3
|
15.6
|
1.0
|
|
N
|
A:GLU196
|
3.3
|
13.5
|
0.7
|
|
N
|
A:GLY233
|
3.3
|
14.2
|
1.0
|
|
CE1
|
A:TYR235
|
3.6
|
14.5
|
1.0
|
|
CB
|
A:GLU196
|
3.7
|
14.1
|
0.7
|
|
N
|
A:GLN232
|
3.7
|
12.3
|
1.0
|
|
CZ
|
A:TYR235
|
3.8
|
13.1
|
1.0
|
|
N
|
A:ASN195
|
3.8
|
13.4
|
1.0
|
|
CA
|
A:GLU196
|
3.8
|
13.4
|
0.3
|
|
CB
|
A:MET231
|
4.0
|
13.7
|
1.0
|
|
CA
|
A:GLU196
|
4.0
|
14.1
|
0.7
|
|
CA
|
A:MET231
|
4.0
|
12.7
|
1.0
|
|
C
|
A:MET231
|
4.0
|
13.1
|
1.0
|
|
CA
|
A:GLY233
|
4.0
|
14.8
|
1.0
|
|
CA
|
A:TYR194
|
4.1
|
14.0
|
1.0
|
|
CG
|
A:GLU196
|
4.1
|
15.0
|
0.7
|
|
C
|
A:TYR194
|
4.2
|
13.5
|
1.0
|
|
O
|
A:ASP193
|
4.2
|
15.4
|
1.0
|
|
C
|
A:ASN195
|
4.4
|
14.7
|
1.0
|
|
C
|
A:GLN232
|
4.4
|
14.4
|
1.0
|
|
OE1
|
A:GLU196
|
4.4
|
16.8
|
0.7
|
|
CD
|
A:GLU196
|
4.4
|
15.9
|
0.7
|
|
N
|
A:ASP197
|
4.4
|
13.9
|
1.0
|
|
CA
|
A:ASN195
|
4.5
|
13.6
|
1.0
|
|
CA
|
A:GLN232
|
4.5
|
12.7
|
1.0
|
|
C
|
A:GLU196
|
4.6
|
12.8
|
0.7
|
|
C
|
A:GLU196
|
4.6
|
12.8
|
0.3
|
|
CD1
|
A:TYR235
|
4.8
|
16.5
|
1.0
|
|
O
|
A:HOH516
|
4.8
|
20.1
|
1.0
|
|
CE
|
A:MET231
|
4.8
|
16.3
|
1.0
|
|
O
|
A:MET231
|
4.8
|
13.9
|
1.0
|
|
OD1
|
A:ASP197
|
4.8
|
18.7
|
1.0
|
|
N
|
A:HIS234
|
4.8
|
15.3
|
0.5
|
|
CB
|
A:GLN232
|
4.8
|
14.9
|
1.0
|
|
N
|
A:HIS234
|
4.9
|
14.2
|
0.5
|
|
CE2
|
A:TYR235
|
4.9
|
13.7
|
1.0
|
|
CG
|
A:MET231
|
5.0
|
13.8
|
1.0
|
|
C
|
A:GLY233
|
5.0
|
14.1
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 2 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-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 the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:14.5
occ:0.60
|
CD
|
B:GLU196
|
0.7
|
18.5
|
0.4
|
|
OE2
|
B:GLU196
|
1.1
|
16.9
|
0.4
|
|
OE1
|
B:GLU196
|
1.2
|
19.1
|
0.4
|
|
CG
|
B:GLU196
|
2.2
|
16.1
|
0.4
|
|
O
|
B:HOH882
|
3.0
|
16.9
|
1.0
|
|
CB
|
B:GLU196
|
3.2
|
14.0
|
0.4
|
|
OH
|
B:TYR235
|
3.3
|
15.8
|
1.0
|
|
N
|
B:GLU196
|
3.3
|
14.3
|
0.4
|
|
N
|
B:GLY233
|
3.3
|
13.1
|
1.0
|
|
N
|
B:GLU196
|
3.4
|
13.8
|
0.6
|
|
CE1
|
B:TYR235
|
3.6
|
14.4
|
1.0
|
|
N
|
B:GLN232
|
3.7
|
13.0
|
1.0
|
|
CB
|
B:GLU196
|
3.7
|
13.8
|
0.6
|
|
CZ
|
B:TYR235
|
3.8
|
13.1
|
1.0
|
|
CA
|
B:GLU196
|
3.8
|
14.7
|
0.4
|
|
N
|
B:ASN195
|
3.9
|
13.9
|
1.0
|
|
CB
|
B:MET231
|
4.0
|
14.1
|
1.0
|
|
C
|
B:MET231
|
4.0
|
14.7
|
1.0
|
|
CA
|
B:MET231
|
4.0
|
12.8
|
1.0
|
|
CA
|
B:GLY233
|
4.0
|
14.1
|
1.0
|
|
CA
|
B:GLU196
|
4.1
|
12.9
|
0.6
|
|
CG
|
B:GLU196
|
4.1
|
14.4
|
0.6
|
|
CA
|
B:TYR194
|
4.2
|
13.8
|
1.0
|
|
C
|
B:TYR194
|
4.3
|
13.5
|
1.0
|
|
O
|
B:ASP193
|
4.3
|
14.8
|
1.0
|
|
OE2
|
B:GLU196
|
4.3
|
15.2
|
0.6
|
|
C
|
B:GLN232
|
4.4
|
13.6
|
1.0
|
|
CD
|
B:GLU196
|
4.4
|
14.4
|
0.6
|
|
C
|
B:ASN195
|
4.4
|
14.9
|
1.0
|
|
N
|
B:ASP197
|
4.5
|
15.1
|
1.0
|
|
CA
|
B:GLN232
|
4.5
|
12.7
|
1.0
|
|
C
|
B:GLU196
|
4.5
|
14.9
|
0.4
|
|
CA
|
B:ASN195
|
4.5
|
13.8
|
1.0
|
|
C
|
B:GLU196
|
4.7
|
14.4
|
0.6
|
|
CD1
|
B:TYR235
|
4.7
|
16.1
|
1.0
|
|
CE
|
B:MET231
|
4.8
|
17.6
|
1.0
|
|
O
|
B:MET231
|
4.8
|
14.0
|
1.0
|
|
O
|
B:HOH533
|
4.8
|
21.1
|
1.0
|
|
N
|
B:HIS234
|
4.8
|
14.4
|
0.3
|
|
OD1
|
B:ASP197
|
4.8
|
18.6
|
1.0
|
|
CB
|
B:GLN232
|
4.9
|
14.2
|
1.0
|
|
N
|
B:HIS234
|
4.9
|
15.1
|
0.7
|
|
C
|
B:GLY233
|
5.0
|
14.0
|
1.0
|
|
CE2
|
B:TYR235
|
5.0
|
14.5
|
1.0
|
|
CG
|
B:MET231
|
5.0
|
14.2
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 3 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-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 the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:17.7
occ:0.80
|
CD
|
C:GLU196
|
0.7
|
10.6
|
0.2
|
|
OE1
|
C:GLU196
|
1.1
|
12.8
|
0.2
|
|
OE2
|
C:GLU196
|
1.2
|
12.0
|
0.2
|
|
CG
|
C:GLU196
|
2.2
|
13.7
|
0.2
|
|
O
|
C:HOH941
|
3.0
|
17.6
|
1.0
|
|
CB
|
C:GLU196
|
3.2
|
15.9
|
0.2
|
|
OH
|
C:TYR235
|
3.3
|
18.5
|
1.0
|
|
N
|
C:GLU196
|
3.3
|
16.6
|
0.2
|
|
N
|
C:GLY233
|
3.3
|
14.7
|
1.0
|
|
N
|
C:GLU196
|
3.4
|
16.1
|
0.8
|
|
CE1
|
C:TYR235
|
3.6
|
17.4
|
1.0
|
|
N
|
C:GLN232
|
3.7
|
13.4
|
1.0
|
|
CB
|
C:GLU196
|
3.7
|
17.0
|
0.8
|
|
CA
|
C:GLU196
|
3.8
|
16.2
|
0.2
|
|
CZ
|
C:TYR235
|
3.8
|
17.4
|
1.0
|
|
N
|
C:ASN195
|
3.9
|
14.3
|
1.0
|
|
C
|
C:MET231
|
3.9
|
13.4
|
1.0
|
|
CB
|
C:MET231
|
3.9
|
16.3
|
1.0
|
|
CA
|
C:MET231
|
4.0
|
13.2
|
1.0
|
|
CA
|
C:GLU196
|
4.0
|
16.4
|
0.8
|
|
CA
|
C:GLY233
|
4.1
|
15.0
|
1.0
|
|
CG
|
C:GLU196
|
4.1
|
17.1
|
0.8
|
|
CA
|
C:TYR194
|
4.1
|
14.0
|
1.0
|
|
C
|
C:TYR194
|
4.2
|
15.0
|
1.0
|
|
O
|
C:ASP193
|
4.2
|
16.7
|
1.0
|
|
C
|
C:GLN232
|
4.3
|
14.9
|
1.0
|
|
OE2
|
C:GLU196
|
4.4
|
18.4
|
0.8
|
|
CD
|
C:GLU196
|
4.4
|
17.9
|
0.8
|
|
C
|
C:ASN195
|
4.4
|
16.7
|
1.0
|
|
CA
|
C:GLN232
|
4.5
|
15.2
|
1.0
|
|
C
|
C:GLU196
|
4.5
|
17.1
|
0.2
|
|
N
|
C:ASP197
|
4.5
|
17.2
|
1.0
|
|
CA
|
C:ASN195
|
4.5
|
16.2
|
1.0
|
|
C
|
C:GLU196
|
4.7
|
17.9
|
0.8
|
|
O
|
C:MET231
|
4.7
|
14.6
|
1.0
|
|
OD1
|
C:ASP197
|
4.8
|
22.3
|
1.0
|
|
CE
|
C:MET231
|
4.8
|
20.4
|
1.0
|
|
O
|
C:HOH554
|
4.8
|
22.6
|
1.0
|
|
CD1
|
C:TYR235
|
4.8
|
18.3
|
1.0
|
|
N
|
C:HIS234
|
4.9
|
15.8
|
0.3
|
|
CB
|
C:GLN232
|
4.9
|
16.6
|
1.0
|
|
CG
|
C:MET231
|
4.9
|
17.1
|
1.0
|
|
N
|
C:HIS234
|
4.9
|
16.5
|
0.7
|
|
CE2
|
C:TYR235
|
5.0
|
15.8
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 4 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 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 the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl402
b:22.2
occ:0.80
|
CD
|
D:GLU196
|
0.6
|
14.7
|
0.2
|
|
OE1
|
D:GLU196
|
1.1
|
10.9
|
0.2
|
|
OE2
|
D:GLU196
|
1.1
|
12.6
|
0.2
|
|
CG
|
D:GLU196
|
2.2
|
17.8
|
0.2
|
|
O
|
D:HOH882
|
3.1
|
20.8
|
1.0
|
|
CB
|
D:GLU196
|
3.2
|
19.8
|
0.2
|
|
OH
|
D:TYR235
|
3.2
|
22.9
|
1.0
|
|
N
|
D:GLY233
|
3.3
|
17.1
|
1.0
|
|
N
|
D:GLU196
|
3.4
|
20.5
|
0.2
|
|
N
|
D:GLU196
|
3.4
|
20.6
|
0.8
|
|
CB
|
D:GLU196
|
3.7
|
21.1
|
0.8
|
|
N
|
D:GLN232
|
3.7
|
16.5
|
1.0
|
|
CE1
|
D:TYR235
|
3.7
|
21.7
|
1.0
|
|
CZ
|
D:TYR235
|
3.8
|
19.0
|
1.0
|
|
C
|
D:MET231
|
3.9
|
15.7
|
1.0
|
|
CA
|
D:GLU196
|
3.9
|
20.3
|
0.2
|
|
CB
|
D:MET231
|
3.9
|
17.0
|
1.0
|
|
N
|
D:ASN195
|
3.9
|
19.6
|
1.0
|
|
CA
|
D:MET231
|
4.0
|
16.7
|
1.0
|
|
CA
|
D:GLU196
|
4.0
|
21.1
|
0.8
|
|
CA
|
D:GLY233
|
4.0
|
18.8
|
1.0
|
|
CG
|
D:GLU196
|
4.1
|
20.8
|
0.8
|
|
CA
|
D:TYR194
|
4.2
|
17.2
|
1.0
|
|
O
|
D:ASP193
|
4.2
|
18.7
|
1.0
|
|
C
|
D:TYR194
|
4.3
|
19.3
|
1.0
|
|
C
|
D:GLN232
|
4.3
|
17.4
|
1.0
|
|
OE2
|
D:GLU196
|
4.4
|
22.3
|
0.8
|
|
C
|
D:ASN195
|
4.4
|
20.4
|
1.0
|
|
CA
|
D:GLN232
|
4.4
|
17.2
|
1.0
|
|
CD
|
D:GLU196
|
4.4
|
20.4
|
0.8
|
|
N
|
D:ASP197
|
4.5
|
22.6
|
1.0
|
|
CA
|
D:ASN195
|
4.5
|
20.6
|
1.0
|
|
C
|
D:GLU196
|
4.6
|
23.0
|
0.8
|
|
C
|
D:GLU196
|
4.6
|
21.3
|
0.2
|
|
O
|
D:MET231
|
4.7
|
17.2
|
1.0
|
|
CE
|
D:MET231
|
4.7
|
22.5
|
1.0
|
|
OD1
|
D:ASP197
|
4.8
|
27.9
|
1.0
|
|
N
|
D:HIS234
|
4.9
|
19.3
|
0.3
|
|
CD1
|
D:TYR235
|
4.9
|
23.0
|
1.0
|
|
O
|
D:HOH611
|
4.9
|
27.0
|
1.0
|
|
N
|
D:HIS234
|
4.9
|
19.7
|
0.7
|
|
CG
|
D:MET231
|
4.9
|
19.6
|
1.0
|
|
CB
|
D:GLN232
|
4.9
|
17.9
|
1.0
|
|
CE2
|
D:TYR235
|
5.0
|
21.1
|
1.0
|
|
C
|
D:GLY233
|
5.0
|
19.8
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 5 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl402
b:16.6
occ:0.50
|
CD
|
E:GLU196
|
0.7
|
17.2
|
0.5
|
|
OE2
|
E:GLU196
|
1.1
|
19.0
|
0.5
|
|
OE1
|
E:GLU196
|
1.2
|
20.4
|
0.5
|
|
CG
|
E:GLU196
|
2.2
|
19.4
|
0.5
|
|
O
|
E:HOH809
|
3.0
|
18.8
|
1.0
|
|
CB
|
E:GLU196
|
3.2
|
17.8
|
0.5
|
|
N
|
E:GLY233
|
3.2
|
16.1
|
1.0
|
|
N
|
E:GLU196
|
3.3
|
18.4
|
0.5
|
|
OH
|
E:TYR235
|
3.3
|
20.3
|
1.0
|
|
N
|
E:GLU196
|
3.4
|
18.0
|
0.5
|
|
CE1
|
E:TYR235
|
3.6
|
18.0
|
1.0
|
|
N
|
E:GLN232
|
3.7
|
15.2
|
1.0
|
|
N
|
E:ASN195
|
3.8
|
17.4
|
1.0
|
|
CA
|
E:GLU196
|
3.8
|
18.2
|
0.5
|
|
CZ
|
E:TYR235
|
3.8
|
19.2
|
1.0
|
|
CB
|
E:GLU196
|
3.8
|
18.0
|
0.5
|
|
CA
|
E:GLY233
|
3.9
|
16.7
|
1.0
|
|
C
|
E:MET231
|
4.0
|
15.9
|
1.0
|
|
CB
|
E:MET231
|
4.0
|
16.6
|
1.0
|
|
CA
|
E:MET231
|
4.0
|
14.8
|
1.0
|
|
CA
|
E:GLU196
|
4.1
|
17.4
|
0.5
|
|
CA
|
E:TYR194
|
4.1
|
15.9
|
1.0
|
|
CG
|
E:GLU196
|
4.1
|
14.9
|
0.5
|
|
C
|
E:TYR194
|
4.2
|
18.3
|
1.0
|
|
O
|
E:ASP193
|
4.3
|
16.8
|
1.0
|
|
C
|
E:GLN232
|
4.3
|
16.4
|
1.0
|
|
OE2
|
E:GLU196
|
4.3
|
17.3
|
0.5
|
|
C
|
E:ASN195
|
4.4
|
17.1
|
1.0
|
|
CD
|
E:GLU196
|
4.4
|
16.6
|
0.5
|
|
CA
|
E:GLN232
|
4.4
|
16.6
|
1.0
|
|
C
|
E:GLU196
|
4.5
|
19.1
|
0.5
|
|
N
|
E:ASP197
|
4.5
|
18.7
|
1.0
|
|
CA
|
E:ASN195
|
4.5
|
18.9
|
1.0
|
|
O
|
E:HOH535
|
4.7
|
22.5
|
1.0
|
|
C
|
E:GLU196
|
4.7
|
18.1
|
0.5
|
|
O
|
E:MET231
|
4.8
|
15.2
|
1.0
|
|
CD1
|
E:TYR235
|
4.8
|
20.8
|
1.0
|
|
OD1
|
E:ASP197
|
4.8
|
24.6
|
1.0
|
|
N
|
E:HIS234
|
4.8
|
16.9
|
0.3
|
|
CE
|
E:MET231
|
4.8
|
24.4
|
1.0
|
|
CB
|
E:GLN232
|
4.9
|
17.8
|
1.0
|
|
N
|
E:HIS234
|
4.9
|
18.4
|
0.7
|
|
C
|
E:GLY233
|
5.0
|
17.3
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 6 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl403
b:38.9
occ:1.00
|
N
|
E:GLN156
|
3.0
|
14.9
|
0.2
|
|
N
|
E:GLN156
|
3.1
|
16.8
|
0.8
|
|
CG
|
E:GLN156
|
3.2
|
15.8
|
0.2
|
|
OD1
|
E:ASN141
|
3.3
|
22.9
|
1.0
|
|
O
|
E:HOH788
|
3.3
|
39.4
|
1.0
|
|
CB
|
E:GLN156
|
3.5
|
14.5
|
0.2
|
|
CA
|
E:ARG155
|
3.7
|
15.1
|
1.0
|
|
CG
|
E:GLN156
|
3.8
|
24.7
|
0.8
|
|
ND2
|
E:ASN141
|
3.8
|
23.3
|
1.0
|
|
CB
|
E:GLN156
|
3.9
|
19.0
|
0.8
|
|
C
|
E:ARG155
|
3.9
|
15.8
|
1.0
|
|
CA
|
E:GLN156
|
3.9
|
14.6
|
0.2
|
|
CG
|
E:ASN141
|
4.0
|
18.8
|
1.0
|
|
CA
|
E:GLN156
|
4.0
|
16.8
|
0.8
|
|
NE2
|
E:GLN156
|
4.0
|
38.4
|
0.8
|
|
O
|
E:LEU154
|
4.1
|
16.7
|
1.0
|
|
CD
|
E:GLN156
|
4.4
|
36.8
|
0.8
|
|
CD
|
E:GLN156
|
4.6
|
18.3
|
0.2
|
|
CB
|
E:ARG155
|
4.6
|
18.4
|
1.0
|
|
N
|
E:ARG155
|
4.7
|
15.0
|
1.0
|
|
C
|
E:GLN156
|
4.8
|
16.6
|
0.8
|
|
C
|
E:LEU154
|
4.8
|
15.9
|
1.0
|
|
C
|
E:GLN156
|
4.9
|
14.6
|
0.2
|
|
Chlorine binding site 7 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 7 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl402
b:18.1
occ:0.60
|
CD
|
F:GLU196
|
0.7
|
13.2
|
0.4
|
|
OE2
|
F:GLU196
|
1.0
|
12.8
|
0.4
|
|
OE1
|
F:GLU196
|
1.2
|
14.7
|
0.4
|
|
CG
|
F:GLU196
|
2.2
|
15.7
|
0.4
|
|
O
|
F:HOH874
|
3.0
|
18.6
|
1.0
|
|
CB
|
F:GLU196
|
3.1
|
13.8
|
0.4
|
|
N
|
F:GLY233
|
3.3
|
15.5
|
1.0
|
|
N
|
F:GLU196
|
3.3
|
15.4
|
0.4
|
|
OH
|
F:TYR235
|
3.4
|
17.5
|
1.0
|
|
N
|
F:GLU196
|
3.4
|
15.5
|
0.6
|
|
N
|
F:GLN232
|
3.6
|
14.2
|
1.0
|
|
CA
|
F:GLU196
|
3.7
|
15.4
|
0.4
|
|
CB
|
F:GLU196
|
3.7
|
17.4
|
0.6
|
|
CE1
|
F:TYR235
|
3.8
|
17.1
|
1.0
|
|
CZ
|
F:TYR235
|
3.9
|
16.1
|
1.0
|
|
C
|
F:MET231
|
3.9
|
14.1
|
1.0
|
|
N
|
F:ASN195
|
3.9
|
16.4
|
1.0
|
|
CB
|
F:MET231
|
4.0
|
16.2
|
1.0
|
|
CG
|
F:GLU196
|
4.0
|
17.1
|
0.6
|
|
CA
|
F:MET231
|
4.0
|
14.1
|
1.0
|
|
CA
|
F:GLY233
|
4.0
|
16.2
|
1.0
|
|
CA
|
F:GLU196
|
4.0
|
16.4
|
0.6
|
|
CA
|
F:TYR194
|
4.2
|
15.4
|
1.0
|
|
O
|
F:ASP193
|
4.2
|
15.2
|
1.0
|
|
C
|
F:GLN232
|
4.3
|
15.9
|
1.0
|
|
C
|
F:TYR194
|
4.3
|
15.5
|
1.0
|
|
CA
|
F:GLN232
|
4.4
|
14.2
|
1.0
|
|
C
|
F:ASN195
|
4.4
|
15.8
|
1.0
|
|
N
|
F:ASP197
|
4.4
|
17.0
|
1.0
|
|
OE2
|
F:GLU196
|
4.4
|
20.4
|
0.6
|
|
C
|
F:GLU196
|
4.4
|
15.6
|
0.4
|
|
CD
|
F:GLU196
|
4.4
|
20.3
|
0.6
|
|
CA
|
F:ASN195
|
4.6
|
15.6
|
1.0
|
|
C
|
F:GLU196
|
4.6
|
16.9
|
0.6
|
|
O
|
F:MET231
|
4.7
|
14.5
|
1.0
|
|
O
|
F:HOH538
|
4.8
|
22.3
|
1.0
|
|
CE
|
F:MET231
|
4.8
|
19.2
|
1.0
|
|
CB
|
F:GLN232
|
4.8
|
16.6
|
1.0
|
|
N
|
F:HIS234
|
4.8
|
15.2
|
0.3
|
|
OD1
|
F:ASP197
|
4.8
|
21.1
|
1.0
|
|
CD1
|
F:TYR235
|
4.8
|
18.0
|
1.0
|
|
N
|
F:HIS234
|
4.9
|
15.9
|
0.7
|
|
CG
|
F:MET231
|
4.9
|
17.0
|
1.0
|
|
C
|
F:GLY233
|
5.0
|
15.3
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 8 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl402
b:18.2
occ:0.55
|
CD
|
G:GLU196
|
0.8
|
15.7
|
0.5
|
|
OE2
|
G:GLU196
|
1.0
|
22.8
|
0.5
|
|
OE1
|
G:GLU196
|
1.3
|
23.7
|
0.5
|
|
CG
|
G:GLU196
|
2.3
|
19.1
|
0.5
|
|
O
|
G:HOH506
|
3.0
|
19.4
|
1.0
|
|
N
|
G:GLY233
|
3.2
|
18.0
|
1.0
|
|
OH
|
G:TYR235
|
3.3
|
21.6
|
1.0
|
|
CB
|
G:GLU196
|
3.3
|
19.7
|
0.5
|
|
N
|
G:GLU196
|
3.4
|
18.7
|
0.5
|
|
N
|
G:GLU196
|
3.4
|
18.3
|
0.6
|
|
N
|
G:GLN232
|
3.5
|
17.5
|
1.0
|
|
CE1
|
G:TYR235
|
3.7
|
19.8
|
1.0
|
|
CB
|
G:GLU196
|
3.8
|
18.7
|
0.6
|
|
CZ
|
G:TYR235
|
3.8
|
20.6
|
1.0
|
|
N
|
G:ASN195
|
3.9
|
16.2
|
1.0
|
|
C
|
G:MET231
|
3.9
|
17.9
|
1.0
|
|
CA
|
G:GLY233
|
4.0
|
18.1
|
1.0
|
|
CG
|
G:GLU196
|
4.0
|
16.2
|
0.6
|
|
CA
|
G:GLU196
|
4.0
|
18.3
|
0.5
|
|
CA
|
G:MET231
|
4.0
|
17.4
|
1.0
|
|
CB
|
G:MET231
|
4.0
|
18.2
|
1.0
|
|
CA
|
G:GLU196
|
4.1
|
17.5
|
0.6
|
|
CA
|
G:TYR194
|
4.2
|
15.1
|
1.0
|
|
O
|
G:ASP193
|
4.2
|
18.1
|
1.0
|
|
C
|
G:GLN232
|
4.2
|
17.4
|
1.0
|
|
C
|
G:TYR194
|
4.2
|
15.5
|
1.0
|
|
CA
|
G:GLN232
|
4.3
|
17.4
|
1.0
|
|
CD
|
G:GLU196
|
4.4
|
16.2
|
0.6
|
|
OE2
|
G:GLU196
|
4.4
|
19.4
|
0.6
|
|
C
|
G:ASN195
|
4.4
|
17.9
|
1.0
|
|
N
|
G:ASP197
|
4.5
|
18.9
|
1.0
|
|
CA
|
G:ASN195
|
4.5
|
16.9
|
1.0
|
|
C
|
G:GLU196
|
4.6
|
18.6
|
0.6
|
|
C
|
G:GLU196
|
4.7
|
19.1
|
0.5
|
|
O
|
G:MET231
|
4.7
|
18.1
|
1.0
|
|
CB
|
G:GLN232
|
4.7
|
18.6
|
1.0
|
|
N
|
G:HIS234
|
4.8
|
18.8
|
1.0
|
|
O
|
G:HOH546
|
4.8
|
23.9
|
1.0
|
|
CD1
|
G:TYR235
|
4.8
|
19.8
|
1.0
|
|
OD1
|
G:ASP197
|
4.9
|
23.9
|
1.0
|
|
CE
|
G:MET231
|
4.9
|
22.8
|
1.0
|
|
C
|
G:GLY233
|
4.9
|
21.2
|
1.0
|
|
CE2
|
G:TYR235
|
5.0
|
20.9
|
1.0
|
|
CG
|
G:MET231
|
5.0
|
20.3
|
1.0
|
|
C
|
G:ASP193
|
5.0
|
16.8
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 3ro8
Go back to
Chlorine Binding Sites List in 3ro8
Chlorine binding site 9 out
of 9 in the Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of the Catalytic Domain of XYNA1 From Paenibacillus Sp. Jdr-2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl402
b:18.9
occ:0.55
|
CD
|
H:GLU196
|
0.8
|
13.4
|
0.5
|
|
OE2
|
H:GLU196
|
1.1
|
16.6
|
0.5
|
|
OE1
|
H:GLU196
|
1.2
|
20.5
|
0.5
|
|
CG
|
H:GLU196
|
2.3
|
19.2
|
0.5
|
|
O
|
H:HOH829
|
2.9
|
19.3
|
1.0
|
|
N
|
H:GLY233
|
3.2
|
16.8
|
1.0
|
|
CB
|
H:GLU196
|
3.3
|
19.6
|
0.5
|
|
OH
|
H:TYR235
|
3.3
|
20.8
|
1.0
|
|
N
|
H:GLU196
|
3.3
|
18.4
|
0.5
|
|
N
|
H:GLU196
|
3.5
|
16.7
|
0.6
|
|
N
|
H:GLN232
|
3.6
|
15.6
|
1.0
|
|
CE1
|
H:TYR235
|
3.6
|
19.7
|
1.0
|
|
CB
|
H:GLU196
|
3.7
|
16.3
|
0.6
|
|
CZ
|
H:TYR235
|
3.8
|
17.4
|
1.0
|
|
CA
|
H:GLU196
|
3.8
|
18.5
|
0.5
|
|
N
|
H:ASN195
|
3.9
|
17.3
|
1.0
|
|
CA
|
H:GLY233
|
3.9
|
16.6
|
1.0
|
|
C
|
H:MET231
|
4.0
|
16.8
|
1.0
|
|
CG
|
H:GLU196
|
4.0
|
15.8
|
0.6
|
|
CB
|
H:MET231
|
4.0
|
17.5
|
1.0
|
|
CA
|
H:GLU196
|
4.1
|
16.9
|
0.6
|
|
CA
|
H:MET231
|
4.1
|
16.3
|
1.0
|
|
CA
|
H:TYR194
|
4.2
|
16.5
|
1.0
|
|
O
|
H:ASP193
|
4.3
|
18.2
|
1.0
|
|
C
|
H:GLN232
|
4.3
|
16.7
|
1.0
|
|
C
|
H:TYR194
|
4.3
|
16.2
|
1.0
|
|
CA
|
H:GLN232
|
4.4
|
16.2
|
1.0
|
|
C
|
H:ASN195
|
4.4
|
17.4
|
1.0
|
|
CD
|
H:GLU196
|
4.4
|
17.5
|
0.6
|
|
N
|
H:ASP197
|
4.5
|
18.2
|
1.0
|
|
OE2
|
H:GLU196
|
4.5
|
20.9
|
0.6
|
|
C
|
H:GLU196
|
4.5
|
18.6
|
0.5
|
|
CA
|
H:ASN195
|
4.5
|
17.6
|
1.0
|
|
C
|
H:GLU196
|
4.6
|
18.1
|
0.6
|
|
O
|
H:HOH528
|
4.7
|
23.8
|
1.0
|
|
O
|
H:MET231
|
4.7
|
17.4
|
1.0
|
|
N
|
H:HIS234
|
4.7
|
18.4
|
1.0
|
|
CB
|
H:GLN232
|
4.8
|
16.7
|
1.0
|
|
CD1
|
H:TYR235
|
4.8
|
19.1
|
1.0
|
|
OD1
|
H:ASP197
|
4.8
|
24.2
|
1.0
|
|
C
|
H:GLY233
|
4.9
|
18.1
|
1.0
|
|
CE
|
H:MET231
|
4.9
|
21.9
|
1.0
|
|
CE2
|
H:TYR235
|
5.0
|
18.5
|
1.0
|
|
Reference:
F.J.St John,
J.F.Preston,
E.Pozharski.
Novel Structural Features of Xylanase A1 From Paenibacillus Sp. Jdr-2. J.Struct.Biol. V. 180 303 2012.
ISSN: ISSN 1047-8477
PubMed: 23000703
DOI: 10.1016/J.JSB.2012.09.007
Page generated: Sun Jul 21 03:48:44 2024
|
