Chlorine in PDB 5swc: The Structure of the Beta-Carbonic Anhydrase Ccaa
Enzymatic activity of The Structure of the Beta-Carbonic Anhydrase Ccaa
All present enzymatic activity of The Structure of the Beta-Carbonic Anhydrase Ccaa:
4.2.1.1;
Protein crystallography data
The structure of The Structure of the Beta-Carbonic Anhydrase Ccaa, PDB code: 5swc
was solved by
M.S.Kimber,
L.Mcgurn,
S.A.White,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.82 /
1.45
|
Space group
|
I 4
|
Cell size a, b, c (Å), α, β, γ (°)
|
202.950,
202.950,
70.510,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
13.1 /
14.7
|
Other elements in 5swc:
The structure of The Structure of the Beta-Carbonic Anhydrase Ccaa also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Structure of the Beta-Carbonic Anhydrase Ccaa
(pdb code 5swc). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
The Structure of the Beta-Carbonic Anhydrase Ccaa, PDB code: 5swc:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 5swc
Go back to
Chlorine Binding Sites List in 5swc
Chlorine binding site 1 out
of 5 in the The Structure of the Beta-Carbonic Anhydrase Ccaa
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Structure of the Beta-Carbonic Anhydrase Ccaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:26.1
occ:1.00
|
HZ3
|
A:LYS160
|
2.4
|
36.6
|
1.0
|
HE22
|
A:GLN163
|
2.4
|
27.4
|
1.0
|
H
|
A:GLU212
|
2.5
|
23.1
|
1.0
|
O
|
A:HOH448
|
2.9
|
27.1
|
1.0
|
O
|
A:HOH526
|
3.0
|
32.5
|
1.0
|
HB2
|
A:GLU212
|
3.1
|
24.2
|
1.0
|
NZ
|
A:LYS160
|
3.2
|
30.5
|
1.0
|
NE2
|
A:GLN163
|
3.3
|
22.9
|
1.0
|
HA
|
A:LEU211
|
3.4
|
24.4
|
1.0
|
HG3
|
A:GLU212
|
3.4
|
23.4
|
1.0
|
N
|
A:GLU212
|
3.4
|
19.2
|
1.0
|
HZ1
|
A:LYS160
|
3.4
|
36.6
|
1.0
|
HB2
|
A:ASP215
|
3.5
|
31.0
|
1.0
|
HD3
|
A:LYS160
|
3.6
|
23.6
|
1.0
|
HE2
|
A:LYS160
|
3.7
|
28.4
|
1.0
|
HZ2
|
A:LYS160
|
3.8
|
36.6
|
1.0
|
CB
|
A:GLU212
|
3.8
|
20.2
|
1.0
|
HE21
|
A:GLN163
|
3.8
|
27.4
|
1.0
|
OE1
|
A:GLN163
|
3.8
|
22.8
|
1.0
|
CE
|
A:LYS160
|
3.9
|
23.7
|
1.0
|
CG
|
A:GLU212
|
3.9
|
19.4
|
1.0
|
CD
|
A:GLN163
|
4.0
|
22.4
|
1.0
|
HD23
|
A:LEU211
|
4.1
|
35.3
|
1.0
|
OE1
|
A:GLU212
|
4.1
|
27.9
|
1.0
|
CA
|
A:GLU212
|
4.2
|
19.8
|
1.0
|
CA
|
A:LEU211
|
4.2
|
20.4
|
1.0
|
CD
|
A:LYS160
|
4.2
|
19.6
|
1.0
|
C
|
A:LEU211
|
4.3
|
18.4
|
1.0
|
CD
|
A:GLU212
|
4.3
|
22.6
|
1.0
|
CB
|
A:ASP215
|
4.3
|
25.9
|
1.0
|
HB3
|
A:ASP215
|
4.4
|
31.0
|
1.0
|
HD22
|
A:LEU211
|
4.4
|
35.3
|
1.0
|
O
|
A:GLU212
|
4.4
|
21.0
|
1.0
|
O
|
A:ALA210
|
4.4
|
19.4
|
1.0
|
O
|
F:HOH419
|
4.4
|
31.4
|
1.0
|
HZ1
|
F:LYS160
|
4.5
|
34.6
|
0.7
|
HZ3
|
F:LYS160
|
4.5
|
34.6
|
0.7
|
HZ2
|
F:LYS160
|
4.5
|
34.6
|
0.7
|
O
|
A:HOH510
|
4.6
|
21.3
|
1.0
|
OD2
|
A:ASP215
|
4.6
|
32.0
|
1.0
|
HB3
|
A:GLU212
|
4.6
|
24.2
|
1.0
|
HD2
|
A:LYS160
|
4.6
|
23.6
|
1.0
|
HB3
|
A:LEU211
|
4.7
|
23.0
|
1.0
|
CD2
|
A:LEU211
|
4.7
|
29.4
|
1.0
|
NZ
|
F:LYS160
|
4.7
|
28.9
|
0.7
|
C
|
A:GLU212
|
4.8
|
21.0
|
1.0
|
HE3
|
A:LYS160
|
4.8
|
28.4
|
1.0
|
HG2
|
A:GLU212
|
4.8
|
23.4
|
1.0
|
O
|
A:HOH544
|
4.9
|
41.6
|
1.0
|
HA
|
A:GLU212
|
5.0
|
23.8
|
1.0
|
CB
|
A:LEU211
|
5.0
|
19.1
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 5swc
Go back to
Chlorine Binding Sites List in 5swc
Chlorine binding site 2 out
of 5 in the The Structure of the Beta-Carbonic Anhydrase Ccaa
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Structure of the Beta-Carbonic Anhydrase Ccaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl303
b:18.1
occ:1.00
|
HH11
|
A:ARG61
|
2.4
|
15.5
|
1.0
|
HH11
|
B:ARG61
|
2.4
|
16.5
|
1.0
|
HD2
|
B:ARG61
|
2.9
|
15.1
|
1.0
|
HD2
|
A:ARG61
|
3.0
|
14.2
|
1.0
|
HD2
|
B:PRO46
|
3.1
|
21.1
|
1.0
|
HD2
|
A:PRO46
|
3.2
|
21.4
|
1.0
|
NH1
|
A:ARG61
|
3.2
|
12.9
|
1.0
|
NH1
|
B:ARG61
|
3.2
|
13.7
|
1.0
|
O
|
A:HOH414
|
3.2
|
34.1
|
1.0
|
O
|
B:HOH413
|
3.3
|
31.3
|
1.0
|
HH12
|
A:ARG61
|
3.5
|
15.5
|
1.0
|
HD3
|
B:ARG61
|
3.5
|
15.1
|
1.0
|
HD3
|
A:ARG61
|
3.5
|
14.2
|
1.0
|
HH12
|
B:ARG61
|
3.5
|
16.5
|
1.0
|
HG11
|
A:VAL59
|
3.6
|
16.3
|
1.0
|
HG11
|
B:VAL59
|
3.6
|
16.1
|
1.0
|
HG2
|
B:PRO46
|
3.6
|
25.8
|
1.0
|
CD
|
B:ARG61
|
3.6
|
12.6
|
1.0
|
HG2
|
A:PRO46
|
3.7
|
25.5
|
1.0
|
CD
|
A:ARG61
|
3.7
|
11.8
|
1.0
|
CD
|
B:PRO46
|
3.9
|
17.6
|
1.0
|
CD
|
A:PRO46
|
4.0
|
17.8
|
1.0
|
CZ
|
A:ARG61
|
4.2
|
11.9
|
1.0
|
CZ
|
B:ARG61
|
4.2
|
11.6
|
1.0
|
HD3
|
B:PRO46
|
4.2
|
21.1
|
1.0
|
HD22
|
B:ASN47
|
4.2
|
15.5
|
0.5
|
CG
|
B:PRO46
|
4.2
|
21.5
|
1.0
|
HD22
|
A:ASN47
|
4.2
|
18.0
|
0.6
|
CG
|
A:PRO46
|
4.3
|
21.3
|
1.0
|
HD3
|
A:PRO46
|
4.3
|
21.4
|
1.0
|
HG21
|
A:VAL59
|
4.3
|
16.4
|
1.0
|
HG21
|
B:VAL59
|
4.3
|
15.1
|
1.0
|
NE
|
B:ARG61
|
4.3
|
12.3
|
1.0
|
NE
|
A:ARG61
|
4.4
|
11.7
|
1.0
|
CG1
|
A:VAL59
|
4.5
|
13.6
|
1.0
|
CG1
|
B:VAL59
|
4.5
|
13.4
|
1.0
|
HG3
|
B:PRO46
|
4.6
|
25.8
|
1.0
|
HG3
|
A:PRO46
|
4.6
|
25.5
|
1.0
|
HA
|
B:ASP45
|
4.7
|
20.2
|
1.0
|
HB
|
A:VAL59
|
4.7
|
14.3
|
1.0
|
HA
|
A:ASP45
|
4.7
|
20.5
|
1.0
|
HB
|
B:VAL59
|
4.7
|
13.0
|
1.0
|
HG3
|
B:ARG61
|
4.8
|
16.0
|
1.0
|
HG3
|
A:ARG61
|
4.8
|
14.9
|
1.0
|
HG12
|
A:VAL59
|
4.8
|
16.3
|
1.0
|
HG12
|
B:VAL59
|
4.8
|
16.1
|
1.0
|
CG
|
B:ARG61
|
4.9
|
13.3
|
1.0
|
ND2
|
B:ASN47
|
4.9
|
12.9
|
0.5
|
CG
|
A:ARG61
|
4.9
|
12.4
|
1.0
|
HD21
|
A:ASN47
|
4.9
|
18.0
|
0.6
|
ND2
|
A:ASN47
|
4.9
|
15.0
|
0.6
|
HD21
|
B:ASN47
|
4.9
|
15.5
|
0.5
|
|
Chlorine binding site 3 out
of 5 in 5swc
Go back to
Chlorine Binding Sites List in 5swc
Chlorine binding site 3 out
of 5 in the The Structure of the Beta-Carbonic Anhydrase Ccaa
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Structure of the Beta-Carbonic Anhydrase Ccaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl302
b:24.3
occ:1.00
|
HH11
|
C:ARG61
|
2.3
|
23.5
|
1.0
|
HH11
|
D:ARG61
|
2.4
|
23.6
|
1.0
|
HD2
|
D:ARG61
|
3.0
|
20.7
|
1.0
|
HD2
|
C:ARG61
|
3.0
|
20.3
|
1.0
|
O
|
D:HOH505
|
3.0
|
43.2
|
1.0
|
NH1
|
C:ARG61
|
3.1
|
19.6
|
1.0
|
NH1
|
D:ARG61
|
3.2
|
19.6
|
1.0
|
HD2
|
D:PRO46
|
3.2
|
26.0
|
1.0
|
HD2
|
C:PRO46
|
3.2
|
29.3
|
1.0
|
O
|
C:HOH437
|
3.2
|
40.9
|
1.0
|
HH12
|
C:ARG61
|
3.4
|
23.5
|
1.0
|
HH12
|
D:ARG61
|
3.5
|
23.6
|
1.0
|
HD3
|
C:ARG61
|
3.5
|
20.3
|
1.0
|
HD3
|
D:ARG61
|
3.6
|
20.7
|
1.0
|
HG11
|
D:VAL59
|
3.6
|
22.1
|
1.0
|
CD
|
C:ARG61
|
3.7
|
16.9
|
1.0
|
CD
|
D:ARG61
|
3.7
|
17.2
|
1.0
|
HG11
|
C:VAL59
|
3.7
|
23.3
|
1.0
|
HG2
|
C:PRO46
|
3.7
|
32.6
|
1.0
|
HG2
|
D:PRO46
|
3.9
|
34.1
|
1.0
|
CD
|
C:PRO46
|
4.0
|
24.4
|
1.0
|
CD
|
D:PRO46
|
4.0
|
21.7
|
1.0
|
CZ
|
C:ARG61
|
4.1
|
16.9
|
1.0
|
HD3
|
C:PRO46
|
4.2
|
29.3
|
1.0
|
CZ
|
D:ARG61
|
4.2
|
18.5
|
1.0
|
HD3
|
D:PRO46
|
4.2
|
26.0
|
1.0
|
HG21
|
D:VAL59
|
4.3
|
21.5
|
1.0
|
CG
|
C:PRO46
|
4.3
|
27.1
|
1.0
|
NE
|
C:ARG61
|
4.3
|
14.9
|
1.0
|
HG21
|
C:VAL59
|
4.4
|
19.1
|
1.0
|
NE
|
D:ARG61
|
4.4
|
15.4
|
1.0
|
HD22
|
C:ASN47
|
4.5
|
45.6
|
1.0
|
CG
|
D:PRO46
|
4.5
|
28.4
|
1.0
|
CG1
|
D:VAL59
|
4.5
|
18.4
|
1.0
|
CG1
|
C:VAL59
|
4.6
|
19.4
|
1.0
|
HA
|
D:ASP45
|
4.6
|
26.3
|
1.0
|
HB
|
D:VAL59
|
4.7
|
19.0
|
1.0
|
HB
|
C:VAL59
|
4.7
|
18.3
|
1.0
|
HA
|
C:ASP45
|
4.7
|
28.9
|
1.0
|
HG3
|
C:PRO46
|
4.7
|
32.6
|
1.0
|
HG3
|
D:ARG61
|
4.8
|
19.3
|
1.0
|
HG3
|
C:ARG61
|
4.8
|
18.2
|
1.0
|
HG12
|
D:VAL59
|
4.8
|
22.1
|
1.0
|
HG12
|
C:VAL59
|
4.9
|
23.3
|
1.0
|
CG
|
D:ARG61
|
4.9
|
16.1
|
1.0
|
CG
|
C:ARG61
|
4.9
|
15.1
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 5swc
Go back to
Chlorine Binding Sites List in 5swc
Chlorine binding site 4 out
of 5 in the The Structure of the Beta-Carbonic Anhydrase Ccaa
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Structure of the Beta-Carbonic Anhydrase Ccaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl302
b:26.7
occ:1.00
|
HZ3
|
E:LYS160
|
2.3
|
42.8
|
1.0
|
HE22
|
E:GLN163
|
2.4
|
23.4
|
1.0
|
H
|
E:GLU212
|
2.5
|
24.5
|
1.0
|
O
|
E:HOH474
|
2.8
|
26.7
|
1.0
|
O
|
E:HOH459
|
3.1
|
34.6
|
1.0
|
NZ
|
E:LYS160
|
3.2
|
35.7
|
1.0
|
HA
|
E:LEU211
|
3.2
|
26.1
|
1.0
|
HB2
|
E:GLU212
|
3.2
|
25.7
|
1.0
|
NE2
|
E:GLN163
|
3.3
|
19.5
|
1.0
|
N
|
E:GLU212
|
3.3
|
20.4
|
1.0
|
HZ1
|
E:LYS160
|
3.4
|
42.8
|
1.0
|
HG3
|
E:GLU212
|
3.5
|
27.4
|
1.0
|
HB2
|
E:ASP215
|
3.6
|
37.7
|
1.0
|
HD3
|
E:LYS160
|
3.6
|
22.6
|
1.0
|
HE2
|
E:LYS160
|
3.7
|
36.6
|
1.0
|
HZ2
|
E:LYS160
|
3.7
|
42.8
|
1.0
|
HE21
|
E:GLN163
|
3.8
|
23.4
|
1.0
|
CE
|
E:LYS160
|
3.9
|
30.5
|
1.0
|
CB
|
E:GLU212
|
3.9
|
21.4
|
1.0
|
OE1
|
E:GLN163
|
3.9
|
22.1
|
1.0
|
HD23
|
E:LEU211
|
4.0
|
49.5
|
1.0
|
HD22
|
E:LEU211
|
4.0
|
49.5
|
1.0
|
CA
|
E:LEU211
|
4.0
|
21.7
|
1.0
|
CD
|
E:GLN163
|
4.0
|
20.0
|
1.0
|
CG
|
E:GLU212
|
4.1
|
22.8
|
1.0
|
C
|
E:LEU211
|
4.2
|
19.7
|
1.0
|
CA
|
E:GLU212
|
4.2
|
21.1
|
1.0
|
OE1
|
E:GLU212
|
4.2
|
29.4
|
1.0
|
CD
|
E:LYS160
|
4.2
|
18.8
|
1.0
|
O
|
E:HOH496
|
4.4
|
21.5
|
1.0
|
O
|
E:GLU212
|
4.4
|
23.5
|
1.0
|
HB3
|
E:LEU211
|
4.4
|
28.5
|
1.0
|
HB3
|
E:ASP215
|
4.4
|
37.7
|
1.0
|
CB
|
E:ASP215
|
4.4
|
31.4
|
1.0
|
CD
|
E:GLU212
|
4.4
|
30.1
|
1.0
|
CD2
|
E:LEU211
|
4.4
|
41.2
|
1.0
|
O
|
E:ALA210
|
4.5
|
18.6
|
1.0
|
O
|
E:HOH417
|
4.6
|
42.0
|
1.0
|
OD2
|
E:ASP215
|
4.6
|
34.0
|
1.0
|
HD2
|
E:LYS160
|
4.7
|
22.6
|
1.0
|
CB
|
E:LEU211
|
4.7
|
23.7
|
1.0
|
HB3
|
E:GLU212
|
4.7
|
25.7
|
1.0
|
O
|
D:HOH508
|
4.7
|
31.1
|
1.0
|
HE3
|
E:LYS160
|
4.8
|
36.6
|
1.0
|
C
|
E:GLU212
|
4.8
|
22.6
|
1.0
|
HG2
|
E:GLU212
|
5.0
|
27.4
|
1.0
|
HB3
|
E:LEU159
|
5.0
|
20.0
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 5swc
Go back to
Chlorine Binding Sites List in 5swc
Chlorine binding site 5 out
of 5 in the The Structure of the Beta-Carbonic Anhydrase Ccaa
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Structure of the Beta-Carbonic Anhydrase Ccaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl303
b:25.1
occ:1.00
|
HH11
|
E:ARG61
|
2.3
|
21.5
|
1.0
|
HH11
|
F:ARG61
|
2.3
|
20.1
|
1.0
|
HD2
|
E:ARG61
|
2.9
|
19.3
|
1.0
|
HD2
|
F:ARG61
|
3.0
|
17.6
|
1.0
|
NH1
|
E:ARG61
|
3.1
|
17.9
|
1.0
|
NH1
|
F:ARG61
|
3.1
|
16.8
|
1.0
|
HD2
|
E:PRO46
|
3.2
|
22.8
|
1.0
|
HD2
|
F:PRO46
|
3.2
|
30.6
|
1.0
|
O
|
E:HOH430
|
3.3
|
39.4
|
1.0
|
HH12
|
E:ARG61
|
3.4
|
21.5
|
1.0
|
HH12
|
F:ARG61
|
3.4
|
20.1
|
1.0
|
HD3
|
F:ARG61
|
3.5
|
17.6
|
1.0
|
HD3
|
E:ARG61
|
3.5
|
19.3
|
1.0
|
HG11
|
E:VAL59
|
3.6
|
19.1
|
1.0
|
CD
|
E:ARG61
|
3.6
|
16.1
|
1.0
|
HG11
|
F:VAL59
|
3.6
|
19.8
|
1.0
|
CD
|
F:ARG61
|
3.7
|
14.7
|
1.0
|
HG2
|
E:PRO46
|
3.7
|
28.4
|
1.0
|
HG2
|
F:PRO46
|
3.8
|
31.3
|
1.0
|
CD
|
E:PRO46
|
4.0
|
19.0
|
1.0
|
CD
|
F:PRO46
|
4.0
|
25.5
|
1.0
|
CZ
|
E:ARG61
|
4.1
|
16.1
|
1.0
|
CZ
|
F:ARG61
|
4.1
|
16.8
|
1.0
|
HD3
|
E:PRO46
|
4.2
|
22.8
|
1.0
|
HD3
|
F:PRO46
|
4.2
|
30.6
|
1.0
|
NE
|
E:ARG61
|
4.3
|
15.2
|
1.0
|
CG
|
E:PRO46
|
4.3
|
23.7
|
1.0
|
HG21
|
F:VAL59
|
4.3
|
21.5
|
1.0
|
NE
|
F:ARG61
|
4.3
|
15.5
|
1.0
|
HG21
|
E:VAL59
|
4.4
|
17.9
|
1.0
|
CG
|
F:PRO46
|
4.4
|
26.1
|
1.0
|
CG1
|
E:VAL59
|
4.5
|
15.9
|
1.0
|
CG1
|
F:VAL59
|
4.5
|
16.5
|
1.0
|
HB
|
F:VAL59
|
4.6
|
17.9
|
1.0
|
HA
|
E:ASP45
|
4.7
|
21.4
|
1.0
|
HA
|
F:ASP45
|
4.7
|
25.6
|
1.0
|
HB
|
E:VAL59
|
4.7
|
15.7
|
1.0
|
HG3
|
E:ARG61
|
4.7
|
17.2
|
1.0
|
HG3
|
F:ARG61
|
4.8
|
17.6
|
1.0
|
HG12
|
E:VAL59
|
4.8
|
19.1
|
1.0
|
HG12
|
F:VAL59
|
4.8
|
19.8
|
1.0
|
HG3
|
E:PRO46
|
4.8
|
28.4
|
1.0
|
CG
|
E:ARG61
|
4.8
|
14.4
|
1.0
|
CG
|
F:ARG61
|
4.9
|
14.7
|
1.0
|
|
Reference:
L.D.Mcgurn,
M.Moazami-Goudarzi,
S.A.White,
T.Suwal,
B.Brar,
J.Q.Tang,
G.S.Espie,
M.S.Kimber.
The Structure, Kinetics and Interactions of the Beta-Carboxysomal Beta-Carbonic Anhydrase, Ccaa. Biochem. J. V. 473 4559 2016.
ISSN: ESSN 1470-8728
PubMed: 27729545
DOI: 10.1042/BCJ20160773
Page generated: Fri Jul 26 17:07:01 2024
|