Calcium in PDB 3kmv: Crystal Structure of CBM42A From Clostridium Thermocellum
Protein crystallography data
The structure of Crystal Structure of CBM42A From Clostridium Thermocellum, PDB code: 3kmv
was solved by
T.Santos-Silva,
V.D.Alves,
J.A.M.Prates,
C.M.G.A.Fontes,
M.J.Romao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.22 /
1.80
|
|
Space group
|
P 32 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.370,
106.370,
237.564,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
15.8 /
19.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of CBM42A From Clostridium Thermocellum
(pdb code 3kmv). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Crystal Structure of CBM42A From Clostridium Thermocellum, PDB code: 3kmv:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 1 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca163
b:36.8
occ:1.00
|
O
|
A:HOH556
|
2.3
|
11.1
|
1.0
|
|
O
|
A:LEU77
|
2.3
|
7.3
|
1.0
|
|
OD1
|
A:ASP76
|
2.5
|
15.3
|
1.0
|
|
OD1
|
A:ASP29
|
2.5
|
12.7
|
1.0
|
|
O
|
A:ALA30
|
2.6
|
8.2
|
1.0
|
|
O
|
A:LEU125
|
2.6
|
8.4
|
1.0
|
|
CG
|
A:ASP29
|
3.4
|
13.1
|
1.0
|
|
C
|
A:LEU77
|
3.5
|
8.8
|
1.0
|
|
OD2
|
A:ASP29
|
3.6
|
17.9
|
1.0
|
|
C
|
A:ALA30
|
3.6
|
9.2
|
1.0
|
|
CG
|
A:ASP76
|
3.6
|
16.0
|
1.0
|
|
N
|
A:LEU77
|
3.6
|
7.6
|
1.0
|
|
C
|
A:LEU125
|
3.6
|
9.1
|
1.0
|
|
N
|
A:LEU125
|
3.7
|
6.6
|
1.0
|
|
N
|
A:ALA30
|
3.7
|
8.5
|
1.0
|
|
O
|
A:HOH846
|
4.0
|
24.6
|
1.0
|
|
CA
|
A:ALA30
|
4.0
|
5.7
|
1.0
|
|
CA
|
A:LEU77
|
4.0
|
8.4
|
0.5
|
|
CA
|
A:LEU77
|
4.0
|
8.2
|
0.5
|
|
CA
|
A:LEU125
|
4.0
|
6.8
|
1.0
|
|
O
|
A:HOH502
|
4.1
|
28.4
|
1.0
|
|
CB
|
A:LEU125
|
4.1
|
9.4
|
1.0
|
|
CB
|
A:ALA30
|
4.1
|
9.1
|
1.0
|
|
CB
|
A:LEU77
|
4.2
|
9.4
|
0.5
|
|
OD2
|
A:ASP76
|
4.2
|
24.6
|
1.0
|
|
CB
|
A:LEU77
|
4.3
|
9.2
|
0.5
|
|
C
|
A:ASP76
|
4.6
|
10.1
|
1.0
|
|
N
|
A:SER78
|
4.6
|
8.1
|
1.0
|
|
C
|
A:ASP29
|
4.7
|
9.1
|
1.0
|
|
CB
|
A:ASP29
|
4.8
|
9.5
|
1.0
|
|
C
|
A:LEU124
|
4.8
|
7.4
|
1.0
|
|
CB
|
A:ASP76
|
4.8
|
11.3
|
1.0
|
|
N
|
A:ARG31
|
4.8
|
6.4
|
1.0
|
|
N
|
A:ARG126
|
4.8
|
8.2
|
1.0
|
|
CA
|
A:ASP76
|
4.9
|
8.9
|
1.0
|
|
CA
|
A:SER78
|
4.9
|
7.8
|
0.7
|
|
CA
|
A:ASP29
|
5.0
|
7.9
|
1.0
|
|
CA
|
A:SER78
|
5.0
|
8.1
|
0.3
|
|
Calcium binding site 2 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 2 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca162
b:36.8
occ:1.00
|
O
|
B:HOH165
|
2.3
|
11.9
|
1.0
|
|
O
|
B:LEU77
|
2.4
|
9.8
|
1.0
|
|
OD1
|
B:ASP29
|
2.5
|
2.0
|
0.5
|
|
O
|
B:ALA30
|
2.5
|
7.5
|
1.0
|
|
OD1
|
B:ASP76
|
2.5
|
17.6
|
1.0
|
|
O
|
B:LEU125
|
2.6
|
7.0
|
1.0
|
|
CG
|
B:ASP29
|
3.4
|
2.2
|
0.5
|
|
C
|
B:LEU77
|
3.5
|
11.1
|
1.0
|
|
C
|
B:ALA30
|
3.6
|
8.5
|
1.0
|
|
OD2
|
B:ASP29
|
3.6
|
5.1
|
0.5
|
|
C
|
B:LEU125
|
3.6
|
8.9
|
1.0
|
|
CG
|
B:ASP76
|
3.6
|
20.4
|
1.0
|
|
N
|
B:LEU125
|
3.6
|
6.2
|
1.0
|
|
N
|
B:LEU77
|
3.7
|
8.9
|
1.0
|
|
N
|
B:ALA30
|
3.7
|
8.4
|
1.0
|
|
O
|
B:HOH606
|
3.9
|
27.8
|
1.0
|
|
O
|
B:HOH662
|
3.9
|
31.5
|
1.0
|
|
CB
|
B:LEU125
|
4.0
|
7.8
|
1.0
|
|
CA
|
B:LEU125
|
4.0
|
7.4
|
1.0
|
|
CA
|
B:LEU77
|
4.0
|
9.2
|
1.0
|
|
CA
|
B:ALA30
|
4.0
|
6.8
|
1.0
|
|
OD2
|
B:ASP76
|
4.2
|
26.1
|
1.0
|
|
CB
|
B:ALA30
|
4.2
|
7.4
|
1.0
|
|
CB
|
B:LEU77
|
4.3
|
10.6
|
1.0
|
|
C
|
B:ASP76
|
4.6
|
11.0
|
1.0
|
|
N
|
B:SER78
|
4.6
|
7.5
|
1.0
|
|
CB
|
B:ASP29
|
4.7
|
6.4
|
0.5
|
|
N
|
B:ARG31
|
4.7
|
8.0
|
1.0
|
|
C
|
B:ASP29
|
4.7
|
9.7
|
1.0
|
|
C
|
B:LEU124
|
4.8
|
7.4
|
1.0
|
|
CD
|
B:ARG126
|
4.8
|
18.7
|
0.5
|
|
CB
|
B:ASP76
|
4.8
|
12.5
|
1.0
|
|
N
|
B:ARG126
|
4.8
|
5.9
|
1.0
|
|
CA
|
B:ASP76
|
4.9
|
10.3
|
1.0
|
|
CA
|
B:SER78
|
4.9
|
9.0
|
1.0
|
|
CA
|
B:ASP29
|
5.0
|
7.0
|
0.5
|
|
CA
|
B:ASP29
|
5.0
|
9.1
|
0.5
|
|
CB
|
B:ASP29
|
5.0
|
10.0
|
0.5
|
|
Calcium binding site 3 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 3 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca163
b:43.1
occ:1.00
|
O
|
C:HOH801
|
2.2
|
13.7
|
1.0
|
|
O
|
C:LEU77
|
2.4
|
9.0
|
1.0
|
|
OD1
|
C:ASP29
|
2.5
|
13.3
|
1.0
|
|
OD1
|
C:ASP76
|
2.5
|
15.5
|
1.0
|
|
O
|
C:LEU125
|
2.5
|
7.8
|
1.0
|
|
O
|
C:ALA30
|
2.6
|
8.8
|
1.0
|
|
CG
|
C:ASP29
|
3.4
|
16.0
|
1.0
|
|
C
|
C:LEU77
|
3.5
|
8.9
|
1.0
|
|
N
|
C:LEU77
|
3.6
|
7.0
|
1.0
|
|
OD2
|
C:ASP29
|
3.6
|
21.3
|
1.0
|
|
C
|
C:LEU125
|
3.6
|
7.7
|
1.0
|
|
CG
|
C:ASP76
|
3.6
|
17.9
|
1.0
|
|
C
|
C:ALA30
|
3.7
|
8.4
|
1.0
|
|
N
|
C:ALA30
|
3.7
|
8.5
|
1.0
|
|
N
|
C:LEU125
|
3.7
|
6.6
|
1.0
|
|
O
|
C:HOH193
|
3.8
|
28.4
|
1.0
|
|
CA
|
C:LEU77
|
4.0
|
7.2
|
1.0
|
|
CA
|
C:ALA30
|
4.0
|
8.0
|
1.0
|
|
CA
|
C:LEU125
|
4.0
|
7.2
|
1.0
|
|
CB
|
C:LEU125
|
4.1
|
8.1
|
1.0
|
|
CB
|
C:ALA30
|
4.1
|
9.0
|
1.0
|
|
OD2
|
C:ASP76
|
4.2
|
24.9
|
1.0
|
|
CB
|
C:LEU77
|
4.3
|
9.1
|
1.0
|
|
O
|
C:HOH379
|
4.3
|
28.2
|
1.0
|
|
C
|
C:ASP76
|
4.5
|
8.9
|
1.0
|
|
N
|
C:SER78
|
4.6
|
7.7
|
1.0
|
|
C
|
C:LEU124
|
4.7
|
8.4
|
1.0
|
|
C
|
C:ASP29
|
4.7
|
10.4
|
1.0
|
|
CB
|
C:ASP29
|
4.8
|
11.8
|
1.0
|
|
CB
|
C:ASP76
|
4.8
|
11.9
|
1.0
|
|
N
|
C:ARG126
|
4.8
|
7.7
|
1.0
|
|
CA
|
C:ASP76
|
4.8
|
9.6
|
1.0
|
|
N
|
C:ARG31
|
4.9
|
7.7
|
1.0
|
|
CA
|
C:SER78
|
4.9
|
7.1
|
1.0
|
|
CA
|
C:LEU124
|
5.0
|
6.3
|
1.0
|
|
CA
|
C:ASP29
|
5.0
|
9.8
|
1.0
|
|
Calcium binding site 4 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 4 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca159
b:54.8
occ:1.00
|
O
|
D:HOH859
|
2.1
|
21.9
|
1.0
|
|
O
|
D:LEU77
|
2.4
|
9.1
|
1.0
|
|
OD2
|
D:ASP76
|
2.5
|
8.6
|
0.5
|
|
O
|
D:ALA30
|
2.6
|
13.2
|
1.0
|
|
O
|
D:LEU125
|
2.7
|
7.3
|
1.0
|
|
OD1
|
D:ASP29
|
2.7
|
2.0
|
0.5
|
|
CG
|
D:ASP29
|
3.5
|
11.6
|
0.5
|
|
N
|
D:LEU125
|
3.5
|
6.2
|
1.0
|
|
C
|
D:LEU77
|
3.5
|
8.6
|
1.0
|
|
OD2
|
D:ASP29
|
3.6
|
14.4
|
0.5
|
|
N
|
D:LEU77
|
3.6
|
5.6
|
1.0
|
|
C
|
D:LEU125
|
3.6
|
8.0
|
1.0
|
|
C
|
D:ALA30
|
3.7
|
13.2
|
1.0
|
|
CG
|
D:ASP76
|
3.7
|
11.8
|
0.5
|
|
N
|
D:ALA30
|
3.8
|
10.4
|
1.0
|
|
CA
|
D:LEU125
|
4.0
|
6.8
|
0.5
|
|
CA
|
D:LEU125
|
4.0
|
5.9
|
0.5
|
|
CA
|
D:LEU77
|
4.0
|
7.0
|
1.0
|
|
CB
|
D:LEU125
|
4.0
|
8.4
|
0.5
|
|
CB
|
D:LEU125
|
4.1
|
7.2
|
0.5
|
|
CA
|
D:ALA30
|
4.1
|
11.3
|
1.0
|
|
CB
|
D:ALA30
|
4.2
|
12.3
|
1.0
|
|
CB
|
D:LEU77
|
4.3
|
7.7
|
1.0
|
|
OD1
|
D:ASP76
|
4.3
|
15.7
|
0.5
|
|
C
|
D:ASP76
|
4.5
|
7.6
|
1.0
|
|
CB
|
D:ASP76
|
4.5
|
8.5
|
0.5
|
|
C
|
D:LEU124
|
4.6
|
7.2
|
1.0
|
|
N
|
D:SER78
|
4.7
|
8.2
|
1.0
|
|
CA
|
D:ASP76
|
4.8
|
8.1
|
0.5
|
|
CA
|
D:ASP76
|
4.8
|
8.5
|
0.5
|
|
CB
|
D:ASP76
|
4.8
|
8.7
|
0.5
|
|
N
|
D:ARG31
|
4.8
|
8.6
|
1.0
|
|
CA
|
D:LEU124
|
4.8
|
6.6
|
1.0
|
|
N
|
D:ARG126
|
4.9
|
7.3
|
1.0
|
|
CB
|
D:LEU124
|
4.9
|
6.0
|
1.0
|
|
CB
|
D:ASP29
|
4.9
|
10.9
|
0.5
|
|
CA
|
D:SER78
|
4.9
|
5.7
|
1.0
|
|
C
|
D:ASP29
|
4.9
|
11.1
|
1.0
|
|
Calcium binding site 5 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 5 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca161
b:74.8
occ:1.00
|
O
|
E:HOH663
|
2.2
|
23.5
|
1.0
|
|
O
|
E:LEU77
|
2.4
|
6.8
|
1.0
|
|
O
|
E:ALA30
|
2.5
|
14.0
|
1.0
|
|
OD1
|
E:ASP29
|
2.5
|
5.5
|
0.5
|
|
OD1
|
E:ASP76
|
2.5
|
7.6
|
0.5
|
|
O
|
E:LEU125
|
2.7
|
6.4
|
1.0
|
|
CG
|
E:ASP29
|
3.4
|
10.5
|
0.5
|
|
C
|
E:LEU77
|
3.5
|
8.4
|
1.0
|
|
N
|
E:LEU77
|
3.5
|
8.9
|
1.0
|
|
OD2
|
E:ASP29
|
3.6
|
9.0
|
0.5
|
|
C
|
E:ALA30
|
3.6
|
11.5
|
1.0
|
|
N
|
E:LEU125
|
3.6
|
6.8
|
1.0
|
|
C
|
E:LEU125
|
3.7
|
7.5
|
1.0
|
|
N
|
E:ALA30
|
3.7
|
10.2
|
1.0
|
|
CG
|
E:ASP76
|
3.8
|
11.3
|
0.5
|
|
CA
|
E:LEU77
|
3.9
|
8.5
|
1.0
|
|
CA
|
E:LEU125
|
4.0
|
6.8
|
0.5
|
|
CA
|
E:LEU125
|
4.0
|
6.6
|
0.5
|
|
CA
|
E:ALA30
|
4.1
|
10.6
|
1.0
|
|
CB
|
E:LEU125
|
4.1
|
7.3
|
0.5
|
|
CB
|
E:ALA30
|
4.1
|
11.9
|
1.0
|
|
CB
|
E:LEU77
|
4.2
|
7.4
|
1.0
|
|
CB
|
E:LEU125
|
4.3
|
6.5
|
0.5
|
|
C
|
E:ASP76
|
4.4
|
10.1
|
1.0
|
|
OD2
|
E:ASP76
|
4.5
|
13.8
|
0.5
|
|
CB
|
E:ASP76
|
4.5
|
9.6
|
0.5
|
|
N
|
E:SER78
|
4.6
|
7.3
|
1.0
|
|
C
|
E:LEU124
|
4.6
|
7.3
|
1.0
|
|
CA
|
E:ASP76
|
4.7
|
9.4
|
0.5
|
|
CA
|
E:ASP76
|
4.7
|
9.8
|
0.5
|
|
N
|
E:ARG31
|
4.8
|
8.8
|
1.0
|
|
CB
|
E:ASP29
|
4.8
|
11.3
|
0.5
|
|
C
|
E:ASP29
|
4.8
|
10.7
|
1.0
|
|
CB
|
E:ASP76
|
4.8
|
10.3
|
0.5
|
|
CA
|
E:LEU124
|
4.9
|
4.8
|
1.0
|
|
CB
|
E:LEU124
|
4.9
|
5.6
|
1.0
|
|
N
|
E:ARG126
|
4.9
|
6.9
|
1.0
|
|
CA
|
E:SER78
|
5.0
|
7.8
|
1.0
|
|
Calcium binding site 6 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 6 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca160
b:64.8
occ:1.00
|
O
|
F:HOH860
|
2.1
|
20.8
|
1.0
|
|
OD1
|
F:ASP76
|
2.5
|
13.2
|
0.5
|
|
O
|
F:LEU77
|
2.5
|
7.5
|
1.0
|
|
OD2
|
F:ASP29
|
2.6
|
2.0
|
0.5
|
|
O
|
F:LEU125
|
2.6
|
6.9
|
1.0
|
|
O
|
F:ALA30
|
2.8
|
13.3
|
1.0
|
|
CG
|
F:ASP29
|
3.4
|
12.9
|
0.5
|
|
OD1
|
F:ASP29
|
3.5
|
14.5
|
0.5
|
|
C
|
F:LEU77
|
3.6
|
7.8
|
1.0
|
|
N
|
F:LEU125
|
3.6
|
6.1
|
1.0
|
|
CG
|
F:ASP76
|
3.6
|
11.9
|
0.5
|
|
N
|
F:LEU77
|
3.7
|
6.2
|
1.0
|
|
C
|
F:LEU125
|
3.7
|
6.3
|
1.0
|
|
C
|
F:ALA30
|
3.8
|
11.1
|
1.0
|
|
N
|
F:ALA30
|
3.9
|
11.8
|
1.0
|
|
O
|
F:HOH861
|
3.9
|
38.7
|
1.0
|
|
CA
|
F:LEU77
|
4.0
|
7.2
|
0.5
|
|
CA
|
F:LEU77
|
4.1
|
6.7
|
0.5
|
|
CA
|
F:LEU125
|
4.1
|
6.4
|
1.0
|
|
CB
|
F:LEU77
|
4.2
|
8.4
|
0.5
|
|
OD2
|
F:ASP76
|
4.2
|
16.2
|
0.5
|
|
CA
|
F:ALA30
|
4.2
|
10.3
|
1.0
|
|
CB
|
F:LEU125
|
4.3
|
7.9
|
1.0
|
|
CB
|
F:ALA30
|
4.3
|
10.1
|
1.0
|
|
CB
|
F:LEU77
|
4.4
|
6.5
|
0.5
|
|
C
|
F:ASP76
|
4.5
|
7.8
|
1.0
|
|
CB
|
F:ASP76
|
4.5
|
7.8
|
0.5
|
|
C
|
F:LEU124
|
4.6
|
8.1
|
1.0
|
|
CA
|
F:ASP76
|
4.7
|
7.6
|
0.5
|
|
N
|
F:SER78
|
4.7
|
5.9
|
1.0
|
|
CA
|
F:ASP76
|
4.7
|
8.1
|
0.5
|
|
CB
|
F:ASP76
|
4.8
|
8.3
|
0.5
|
|
CB
|
F:ASP29
|
4.8
|
12.6
|
0.5
|
|
N
|
F:ARG126
|
4.9
|
5.9
|
1.0
|
|
CA
|
F:LEU124
|
4.9
|
5.4
|
1.0
|
|
CB
|
F:LEU124
|
4.9
|
5.8
|
1.0
|
|
C
|
F:ASP29
|
5.0
|
12.1
|
1.0
|
|
N
|
F:ARG31
|
5.0
|
8.4
|
1.0
|
|
Calcium binding site 7 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 7 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca162
b:42.2
occ:1.00
|
O
|
G:HOH167
|
2.3
|
10.1
|
1.0
|
|
O
|
G:LEU77
|
2.4
|
9.6
|
1.0
|
|
O
|
G:ALA30
|
2.5
|
8.4
|
1.0
|
|
OD1
|
G:ASP29
|
2.5
|
2.0
|
0.5
|
|
OD1
|
G:ASP76
|
2.5
|
16.1
|
1.0
|
|
O
|
G:LEU125
|
2.6
|
7.0
|
1.0
|
|
CG
|
G:ASP29
|
3.3
|
6.7
|
0.5
|
|
OD2
|
G:ASP29
|
3.4
|
6.9
|
0.5
|
|
C
|
G:LEU77
|
3.5
|
10.1
|
1.0
|
|
C
|
G:ALA30
|
3.6
|
9.6
|
1.0
|
|
N
|
G:LEU125
|
3.6
|
6.4
|
1.0
|
|
C
|
G:LEU125
|
3.7
|
7.9
|
1.0
|
|
N
|
G:ALA30
|
3.7
|
8.4
|
1.0
|
|
CG
|
G:ASP76
|
3.7
|
20.1
|
1.0
|
|
N
|
G:LEU77
|
3.7
|
9.6
|
1.0
|
|
O
|
G:HOH253
|
3.8
|
27.2
|
1.0
|
|
CA
|
G:ALA30
|
4.0
|
7.7
|
1.0
|
|
CA
|
G:LEU125
|
4.0
|
6.2
|
1.0
|
|
CB
|
G:ALA30
|
4.0
|
10.2
|
1.0
|
|
CA
|
G:LEU77
|
4.0
|
9.9
|
0.5
|
|
CB
|
G:LEU125
|
4.1
|
9.1
|
1.0
|
|
CA
|
G:LEU77
|
4.1
|
9.1
|
0.5
|
|
CB
|
G:LEU77
|
4.2
|
9.5
|
0.5
|
|
OD2
|
G:ASP76
|
4.2
|
25.9
|
1.0
|
|
CB
|
G:LEU77
|
4.3
|
8.0
|
0.5
|
|
N
|
G:SER78
|
4.6
|
9.2
|
1.0
|
|
C
|
G:ASP76
|
4.6
|
11.7
|
1.0
|
|
CB
|
G:ASP29
|
4.7
|
8.3
|
0.5
|
|
N
|
G:ARG31
|
4.7
|
5.7
|
1.0
|
|
C
|
G:LEU124
|
4.7
|
7.1
|
1.0
|
|
C
|
G:ASP29
|
4.8
|
9.3
|
1.0
|
|
CB
|
G:ASP76
|
4.9
|
12.1
|
1.0
|
|
CA
|
G:SER78
|
4.9
|
8.7
|
1.0
|
|
N
|
G:ARG126
|
4.9
|
7.7
|
1.0
|
|
CA
|
G:ASP76
|
4.9
|
12.3
|
1.0
|
|
Calcium binding site 8 out
of 8 in 3kmv
Go back to
Calcium Binding Sites List in 3kmv
Calcium binding site 8 out
of 8 in the Crystal Structure of CBM42A From Clostridium Thermocellum
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of CBM42A From Clostridium Thermocellum within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca160
b:61.0
occ:1.00
|
OD1
|
H:ASP76
|
2.5
|
12.3
|
0.5
|
|
O
|
H:LEU125
|
2.7
|
6.4
|
1.0
|
|
O
|
H:LEU77
|
2.7
|
9.6
|
1.0
|
|
O
|
H:ALA30
|
2.7
|
11.4
|
1.0
|
|
O
|
H:HOH607
|
2.8
|
13.2
|
1.0
|
|
O
|
H:HOH814
|
3.0
|
36.2
|
1.0
|
|
N
|
H:LEU125
|
3.4
|
4.8
|
1.0
|
|
CG
|
H:ASP76
|
3.6
|
12.4
|
0.5
|
|
C
|
H:LEU125
|
3.7
|
8.3
|
1.0
|
|
C
|
H:LEU77
|
3.8
|
9.4
|
1.0
|
|
C
|
H:ALA30
|
3.8
|
11.2
|
1.0
|
|
N
|
H:LEU77
|
3.8
|
7.4
|
1.0
|
|
CA
|
H:LEU125
|
4.0
|
6.7
|
1.0
|
|
N
|
H:ALA30
|
4.0
|
11.2
|
1.0
|
|
OD2
|
H:ASP76
|
4.1
|
17.2
|
0.5
|
|
CB
|
H:LEU125
|
4.2
|
8.8
|
1.0
|
|
CA
|
H:LEU77
|
4.3
|
6.8
|
1.0
|
|
CA
|
H:ALA30
|
4.3
|
9.3
|
1.0
|
|
CB
|
H:ALA30
|
4.3
|
10.8
|
1.0
|
|
C
|
H:LEU124
|
4.4
|
6.9
|
1.0
|
|
CB
|
H:LEU77
|
4.4
|
8.1
|
1.0
|
|
CB
|
H:LEU124
|
4.5
|
4.2
|
1.0
|
|
CB
|
H:ASP76
|
4.6
|
8.5
|
0.5
|
|
CA
|
H:LEU124
|
4.6
|
3.7
|
1.0
|
|
C
|
H:ASP76
|
4.7
|
8.8
|
1.0
|
|
CB
|
H:ASP76
|
4.8
|
9.9
|
0.5
|
|
N
|
H:ARG126
|
4.9
|
8.4
|
1.0
|
|
CA
|
H:ASP76
|
4.9
|
7.3
|
0.5
|
|
CA
|
H:ASP76
|
4.9
|
8.4
|
0.5
|
|
N
|
H:SER78
|
4.9
|
7.5
|
1.0
|
|
N
|
H:ARG31
|
5.0
|
7.2
|
1.0
|
|
Reference:
T.Ribeiro,
T.Santos-Silva,
V.D.Alves,
F.M.Dias,
A.S.Luis,
J.A.Prates,
L.M.Ferreira,
M.J.Romao,
C.M.Fontes.
Family 42 Carbohydrate-Binding Modules Display Multiple Arabinoxylan-Binding Interfaces Presenting Different Ligand Affinities. Biochim.Biophys.Acta V.1804 2054 2010.
ISSN: ISSN 0006-3002
PubMed: 20637315
DOI: 10.1016/J.BBAPAP.2010.07.006
Page generated: Tue Jul 8 13:53:34 2025
|
