Chlorine in PDB 4mwa: 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
Enzymatic activity of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
All present enzymatic activity of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis:
1.17.7.1;
Protein crystallography data
The structure of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis, PDB code: 4mwa
was solved by
G.Minasov,
Z.Wawrzak,
J.S.Brunzelle,
X.Xu,
H.Cui,
N.Maltseva,
B.Bishop,
K.Kwon,
A.Savchenko,
A.Joachimiak,
W.F.Anderson,
Center For Structuralgenomics Of Infectious Diseases (Csgid),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.77 /
1.85
|
Space group
|
P 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
162.676,
162.676,
76.484,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
12.5 /
16.9
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
(pdb code 4mwa). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the
1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis, PDB code: 4mwa:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 1 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:53.2
occ:1.00
|
NH2
|
A:ARG90
|
2.8
|
26.7
|
0.3
|
NH2
|
A:ARG90
|
3.4
|
30.7
|
0.7
|
CZ
|
A:ARG90
|
3.7
|
26.2
|
0.3
|
NH1
|
A:ARG90
|
4.3
|
26.3
|
0.3
|
CZ
|
A:ARG90
|
4.3
|
30.6
|
0.7
|
O
|
A:HOH627
|
4.4
|
34.3
|
1.0
|
NE
|
A:ARG90
|
4.4
|
25.7
|
0.3
|
CE
|
A:LYS115
|
4.9
|
31.8
|
1.0
|
NE
|
A:ARG90
|
4.9
|
29.2
|
0.7
|
NZ
|
A:LYS115
|
4.9
|
31.3
|
1.0
|
|
Chlorine binding site 2 out
of 10 in 4mwa
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Chlorine Binding Sites List in 4mwa
Chlorine binding site 2 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:32.1
occ:0.60
|
CL
|
B:CL402
|
0.0
|
32.1
|
0.6
|
CL
|
B:CL402
|
1.8
|
21.9
|
0.4
|
NZ
|
G:LYS47
|
3.7
|
18.5
|
1.0
|
ND2
|
G:ASN78
|
3.7
|
25.7
|
1.0
|
N
|
B:GLY209
|
3.8
|
24.8
|
1.0
|
OG
|
B:SER208
|
4.2
|
33.9
|
1.0
|
CA
|
B:GLY209
|
4.3
|
21.6
|
1.0
|
OD1
|
G:ASN78
|
4.3
|
26.2
|
1.0
|
CG
|
G:ASN78
|
4.4
|
24.1
|
1.0
|
OE1
|
G:GLU50
|
4.7
|
18.4
|
1.0
|
CE
|
G:LYS47
|
4.7
|
18.1
|
1.0
|
CD
|
G:LYS47
|
4.8
|
16.8
|
1.0
|
C
|
B:SER208
|
4.8
|
25.7
|
1.0
|
CA
|
B:SER208
|
5.0
|
26.2
|
1.0
|
O
|
B:HOH529
|
5.0
|
13.1
|
1.0
|
|
Chlorine binding site 3 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 3 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:21.9
occ:0.40
|
CL
|
B:CL402
|
0.0
|
21.9
|
0.4
|
CL
|
B:CL402
|
1.8
|
32.1
|
0.6
|
N
|
B:GLY209
|
2.9
|
24.8
|
1.0
|
NZ
|
G:LYS47
|
3.3
|
18.5
|
1.0
|
O
|
B:HOH529
|
3.3
|
13.1
|
1.0
|
CA
|
B:SER208
|
3.7
|
26.2
|
1.0
|
C
|
B:SER208
|
3.7
|
25.7
|
1.0
|
OG
|
B:SER208
|
3.8
|
33.9
|
1.0
|
CA
|
B:GLY209
|
3.8
|
21.6
|
1.0
|
CE
|
G:LYS47
|
3.9
|
18.1
|
1.0
|
CD
|
G:LYS47
|
4.2
|
16.8
|
1.0
|
CB
|
B:SER208
|
4.3
|
30.2
|
1.0
|
O
|
B:GLY209
|
4.6
|
19.7
|
1.0
|
C
|
B:GLY209
|
4.7
|
20.4
|
1.0
|
O
|
B:GLU207
|
4.8
|
21.2
|
1.0
|
N
|
B:SER208
|
4.9
|
24.1
|
1.0
|
O
|
B:SER208
|
4.9
|
23.7
|
1.0
|
|
Chlorine binding site 4 out
of 10 in 4mwa
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Chlorine Binding Sites List in 4mwa
Chlorine binding site 4 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:42.9
occ:0.33
|
NZ
|
B:LYS94
|
3.4
|
27.4
|
1.0
|
NH1
|
B:ARG90
|
3.7
|
45.0
|
1.0
|
CE
|
B:LYS94
|
3.9
|
26.6
|
1.0
|
CD
|
B:ARG90
|
4.4
|
41.5
|
1.0
|
CZ
|
B:ARG90
|
4.7
|
43.6
|
1.0
|
NE
|
B:ARG90
|
5.0
|
42.5
|
1.0
|
|
Chlorine binding site 5 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 5 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl403
b:37.9
occ:1.00
|
NH1
|
C:ARG112
|
3.5
|
45.5
|
1.0
|
NZ
|
C:LYS115
|
3.7
|
33.0
|
1.0
|
CG
|
C:ARG112
|
3.8
|
36.8
|
1.0
|
CZ
|
C:ARG112
|
4.1
|
43.2
|
1.0
|
N
|
C:ARG112
|
4.1
|
30.2
|
1.0
|
CA
|
C:GLY111
|
4.5
|
27.2
|
1.0
|
CE
|
C:LYS115
|
4.5
|
31.0
|
1.0
|
NE
|
C:ARG112
|
4.5
|
41.5
|
1.0
|
CD
|
C:ARG112
|
4.5
|
39.3
|
1.0
|
CB
|
C:ARG112
|
4.7
|
33.4
|
1.0
|
NH2
|
C:ARG112
|
4.7
|
46.5
|
1.0
|
C
|
C:GLY111
|
4.8
|
28.1
|
1.0
|
NZ
|
D:LYS75
|
4.9
|
33.7
|
1.0
|
CA
|
C:ARG112
|
5.0
|
31.5
|
1.0
|
|
Chlorine binding site 6 out
of 10 in 4mwa
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Chlorine Binding Sites List in 4mwa
Chlorine binding site 6 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl404
b:44.2
occ:1.00
|
NE2
|
C:HIS172
|
3.1
|
29.4
|
1.0
|
OE1
|
C:GLU167
|
3.7
|
25.6
|
1.0
|
CD
|
C:GLU167
|
3.8
|
24.2
|
1.0
|
CD2
|
C:HIS172
|
3.9
|
28.9
|
1.0
|
CB
|
C:GLU167
|
3.9
|
26.2
|
1.0
|
CG
|
C:GLU167
|
4.1
|
24.8
|
1.0
|
CE1
|
C:HIS172
|
4.1
|
29.2
|
1.0
|
OE2
|
C:GLU167
|
4.2
|
21.1
|
1.0
|
O
|
C:GLU167
|
4.8
|
27.7
|
1.0
|
CA
|
C:GLU167
|
4.9
|
27.4
|
1.0
|
|
Chlorine binding site 7 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 7 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl405
b:50.3
occ:1.00
|
OH
|
C:TYR89
|
3.5
|
30.0
|
1.0
|
NH2
|
C:ARG90
|
3.6
|
35.3
|
1.0
|
CE1
|
C:TYR89
|
4.3
|
26.3
|
1.0
|
CZ
|
C:TYR89
|
4.4
|
27.6
|
1.0
|
NE
|
C:ARG90
|
4.4
|
34.1
|
1.0
|
CZ
|
C:ARG90
|
4.5
|
35.4
|
1.0
|
CE
|
C:LYS115
|
4.6
|
31.0
|
1.0
|
|
Chlorine binding site 8 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 8 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl403
b:30.3
occ:1.00
|
OG
|
F:SER208
|
3.1
|
19.8
|
0.6
|
N
|
F:GLY209
|
3.2
|
18.0
|
1.0
|
O
|
C:HOH620
|
3.9
|
22.3
|
1.0
|
CA
|
F:SER208
|
3.9
|
18.6
|
0.4
|
CA
|
F:SER208
|
4.0
|
19.3
|
0.6
|
CA
|
F:GLY209
|
4.0
|
17.6
|
1.0
|
OD1
|
C:ASN78
|
4.0
|
23.2
|
1.0
|
CB
|
F:SER208
|
4.0
|
19.4
|
0.6
|
CB
|
F:SER208
|
4.0
|
18.4
|
0.4
|
C
|
F:SER208
|
4.1
|
18.1
|
0.4
|
C
|
F:SER208
|
4.1
|
18.4
|
0.6
|
O
|
C:HOH580
|
4.2
|
18.3
|
1.0
|
CD
|
C:LYS47
|
4.5
|
21.8
|
1.0
|
CE
|
C:LYS47
|
4.9
|
24.3
|
1.0
|
CG
|
C:ASN78
|
5.0
|
23.0
|
1.0
|
|
Chlorine binding site 9 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 9 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl404
b:31.1
occ:0.60
|
CL
|
F:CL404
|
0.0
|
31.1
|
0.6
|
CL
|
F:CL404
|
1.7
|
23.6
|
0.4
|
NZ
|
F:LYS115
|
2.9
|
37.7
|
1.0
|
N
|
F:ARG112
|
3.7
|
29.6
|
1.0
|
CA
|
F:GLY111
|
3.9
|
28.0
|
1.0
|
CE
|
F:LYS115
|
4.0
|
36.2
|
1.0
|
C
|
F:GLY111
|
4.3
|
28.0
|
1.0
|
CG
|
F:ARG112
|
4.6
|
31.1
|
1.0
|
CB
|
F:ARG112
|
4.6
|
30.3
|
1.0
|
CA
|
F:ARG112
|
4.8
|
28.8
|
1.0
|
CD
|
F:ARG112
|
4.9
|
32.2
|
1.0
|
|
Chlorine binding site 10 out
of 10 in 4mwa
Go back to
Chlorine Binding Sites List in 4mwa
Chlorine binding site 10 out
of 10 in the 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of 1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl404
b:23.6
occ:0.40
|
CL
|
F:CL404
|
0.0
|
23.6
|
0.4
|
CL
|
F:CL404
|
1.7
|
31.1
|
0.6
|
NZ
|
F:LYS115
|
2.8
|
37.7
|
1.0
|
CE
|
F:LYS115
|
4.0
|
36.2
|
1.0
|
NE
|
F:ARG112
|
4.3
|
33.2
|
1.0
|
CD
|
F:ARG112
|
4.4
|
32.2
|
1.0
|
CG
|
F:ARG112
|
4.6
|
31.1
|
1.0
|
CZ
|
F:ARG112
|
4.8
|
31.8
|
1.0
|
N
|
F:ARG112
|
4.8
|
29.6
|
1.0
|
O
|
F:HOH572
|
4.9
|
23.0
|
0.5
|
|
Reference:
G.Minasov,
Z.Wawrzak,
J.S.Brunzelle,
X.Xu,
H.Cui,
N.Maltseva,
B.Bishop,
K.Kwon,
A.Savchenko,
A.Joachimiak,
W.F.Anderson,
Center For Structural Genomics Of Infectious Diseases(Csgid).
1.85 Angstrom Crystal Structure of Gcpe Protein From Bacillus Anthracis. To Be Published.
Page generated: Sun Jul 21 20:16:09 2024
|