Calcium in PDB 4fl4: Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
Protein crystallography data
The structure of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome, PDB code: 4fl4
was solved by
M.A.Currie,
J.J.Adams,
F.Faucher,
E.A.Bayer,
Z.Jia,
S.P.Smith,
Montreal-Kingston Bacterial Structural Genomics Initiative (Bsgi),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.95 /
2.80
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
119.374,
186.305,
191.165,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
19.1 /
23.6
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Calcium atom in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
(pdb code 4fl4). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the
Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome, PDB code: 4fl4:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 1 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca101
b:81.0
occ:1.00
|
OD1
|
A:ASN26
|
2.5
|
74.2
|
1.0
|
|
OD2
|
A:ASP35
|
2.6
|
70.9
|
1.0
|
|
OD1
|
A:ASP28
|
2.6
|
75.1
|
1.0
|
|
O
|
A:LYS30
|
2.7
|
78.6
|
1.0
|
|
OD1
|
A:ASP24
|
2.7
|
77.8
|
1.0
|
|
OD1
|
A:ASP35
|
2.9
|
74.8
|
1.0
|
|
CG
|
A:ASP35
|
3.0
|
72.4
|
1.0
|
|
CG
|
A:ASP28
|
3.2
|
82.9
|
1.0
|
|
OD2
|
A:ASP28
|
3.2
|
78.6
|
1.0
|
|
CG
|
A:ASN26
|
3.4
|
73.0
|
1.0
|
|
OD1
|
A:ASN32
|
3.5
|
70.5
|
1.0
|
|
C
|
A:LYS30
|
3.6
|
76.5
|
1.0
|
|
ND2
|
A:ASN26
|
3.7
|
69.3
|
1.0
|
|
CG
|
A:ASP24
|
3.9
|
82.5
|
1.0
|
|
CG
|
A:ASN32
|
4.3
|
69.8
|
1.0
|
|
N
|
A:ASN32
|
4.3
|
70.1
|
1.0
|
|
CB
|
A:ASP35
|
4.3
|
68.0
|
1.0
|
|
CA
|
A:LYS30
|
4.3
|
78.1
|
1.0
|
|
CB
|
A:LYS30
|
4.4
|
71.9
|
1.0
|
|
N
|
A:LYS30
|
4.4
|
83.8
|
1.0
|
|
N
|
A:VAL31
|
4.5
|
73.6
|
1.0
|
|
N
|
A:ASP35
|
4.5
|
63.6
|
1.0
|
|
CB
|
A:ASP28
|
4.5
|
78.0
|
1.0
|
|
CA
|
A:VAL31
|
4.5
|
73.2
|
1.0
|
|
OE2
|
C:GLU137
|
4.6
|
84.6
|
1.0
|
|
OD2
|
A:ASP24
|
4.7
|
80.9
|
1.0
|
|
CB
|
A:ASN26
|
4.7
|
69.7
|
1.0
|
|
N
|
A:ASN26
|
4.7
|
73.1
|
1.0
|
|
N
|
A:ASP28
|
4.7
|
78.6
|
1.0
|
|
CA
|
A:ASP35
|
4.7
|
61.9
|
1.0
|
|
CA
|
A:ASP24
|
4.8
|
78.3
|
1.0
|
|
ND2
|
A:ASN32
|
4.8
|
71.7
|
1.0
|
|
C
|
A:VAL31
|
4.9
|
70.1
|
1.0
|
|
CB
|
A:ASP24
|
4.9
|
78.0
|
1.0
|
|
CB
|
A:THR34
|
5.0
|
65.6
|
1.0
|
|
C
|
A:ASP24
|
5.0
|
77.5
|
1.0
|
|
Calcium binding site 2 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 2 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca102
b:86.7
occ:1.00
|
OD1
|
A:ASN62
|
2.5
|
89.5
|
1.0
|
|
O
|
A:ARG66
|
2.7
|
92.7
|
1.0
|
|
OD1
|
A:ASP64
|
2.7
|
0.9
|
1.0
|
|
OD1
|
A:ASP60
|
2.9
|
85.4
|
1.0
|
|
OD2
|
A:ASP71
|
3.0
|
92.2
|
1.0
|
|
OD1
|
A:ASP71
|
3.0
|
90.9
|
1.0
|
|
CG
|
A:ASP64
|
3.2
|
98.8
|
1.0
|
|
CG
|
A:ASP71
|
3.2
|
88.8
|
1.0
|
|
CG
|
A:ASN62
|
3.3
|
86.4
|
1.0
|
|
OD2
|
A:ASP64
|
3.4
|
85.5
|
1.0
|
|
ND2
|
A:ASN62
|
3.5
|
74.4
|
1.0
|
|
C
|
A:ARG66
|
3.8
|
98.9
|
1.0
|
|
CG
|
A:ASP60
|
4.1
|
93.8
|
1.0
|
|
CB
|
A:ASP64
|
4.2
|
96.7
|
1.0
|
|
ND2
|
A:ASN68
|
4.3
|
94.0
|
1.0
|
|
N
|
A:ASP71
|
4.4
|
74.6
|
1.0
|
|
OD1
|
A:ASN68
|
4.4
|
86.9
|
1.0
|
|
CB
|
A:ASP71
|
4.5
|
83.3
|
1.0
|
|
N
|
A:VAL67
|
4.6
|
94.3
|
1.0
|
|
CA
|
A:VAL67
|
4.6
|
87.4
|
1.0
|
|
CG
|
A:ASN68
|
4.6
|
91.7
|
1.0
|
|
CB
|
A:SER70
|
4.6
|
79.6
|
1.0
|
|
CB
|
A:ASN62
|
4.7
|
92.8
|
1.0
|
|
N
|
A:ASN62
|
4.7
|
93.9
|
1.0
|
|
N
|
A:ASN68
|
4.7
|
77.0
|
1.0
|
|
CA
|
A:ARG66
|
4.7
|
0.5
|
1.0
|
|
N
|
A:ASP64
|
4.7
|
99.7
|
1.0
|
|
N
|
A:ARG66
|
4.8
|
99.3
|
1.0
|
|
CA
|
A:ASP71
|
4.8
|
77.2
|
1.0
|
|
CA
|
A:ASP64
|
4.9
|
97.4
|
1.0
|
|
OD2
|
A:ASP60
|
4.9
|
97.8
|
1.0
|
|
CA
|
A:ASP60
|
4.9
|
93.5
|
1.0
|
|
Calcium binding site 3 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 3 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca401
b:64.9
occ:1.00
|
OD1
|
C:ASP262
|
2.5
|
67.7
|
1.0
|
|
OD2
|
C:ASP262
|
2.5
|
69.5
|
1.0
|
|
OD1
|
C:ASP251
|
2.5
|
73.2
|
1.0
|
|
O
|
C:SER257
|
2.6
|
67.9
|
1.0
|
|
O
|
C:VAL253
|
2.6
|
65.6
|
1.0
|
|
OD2
|
C:ASP255
|
2.7
|
70.1
|
1.0
|
|
CG
|
C:ASP262
|
2.8
|
71.0
|
1.0
|
|
CG
|
C:ASP255
|
3.1
|
70.3
|
1.0
|
|
OD1
|
C:ASP255
|
3.2
|
78.3
|
1.0
|
|
C
|
C:VAL253
|
3.5
|
66.1
|
1.0
|
|
CG2
|
C:VAL253
|
3.7
|
66.3
|
1.0
|
|
CG
|
C:ASP251
|
3.8
|
69.7
|
1.0
|
|
C
|
C:SER257
|
3.8
|
65.4
|
1.0
|
|
N
|
C:VAL253
|
3.9
|
63.1
|
1.0
|
|
N
|
C:ASP255
|
4.1
|
71.8
|
1.0
|
|
CA
|
C:VAL253
|
4.1
|
65.9
|
1.0
|
|
OD1
|
C:ASN259
|
4.2
|
69.6
|
1.0
|
|
CA
|
C:ASP251
|
4.2
|
64.3
|
1.0
|
|
CB
|
C:ASP262
|
4.4
|
62.0
|
1.0
|
|
C
|
C:ASP251
|
4.4
|
66.5
|
1.0
|
|
CB
|
C:ASP255
|
4.4
|
65.8
|
1.0
|
|
N
|
C:SER257
|
4.4
|
71.9
|
1.0
|
|
N
|
C:ILE252
|
4.4
|
65.7
|
1.0
|
|
CB
|
C:VAL253
|
4.5
|
63.2
|
1.0
|
|
N
|
C:LYS254
|
4.5
|
65.6
|
1.0
|
|
OD2
|
C:ASP251
|
4.6
|
75.2
|
1.0
|
|
CB
|
C:ASP251
|
4.6
|
62.5
|
1.0
|
|
CA
|
C:SER257
|
4.6
|
64.8
|
1.0
|
|
CA
|
C:ASP255
|
4.7
|
70.7
|
1.0
|
|
C
|
C:LYS254
|
4.7
|
70.8
|
1.0
|
|
N
|
C:ILE258
|
4.7
|
64.2
|
1.0
|
|
CA
|
C:LYS254
|
4.8
|
68.6
|
1.0
|
|
CA
|
C:ILE258
|
4.8
|
64.6
|
1.0
|
|
N
|
C:ASN256
|
4.9
|
62.5
|
1.0
|
|
N
|
C:ASN259
|
4.9
|
62.6
|
1.0
|
|
O
|
C:GLY250
|
4.9
|
68.1
|
1.0
|
|
CG
|
C:ASN259
|
4.9
|
65.7
|
1.0
|
|
CB
|
C:SER257
|
4.9
|
62.0
|
1.0
|
|
O
|
C:ASP251
|
4.9
|
67.5
|
1.0
|
|
C
|
C:ILE252
|
5.0
|
67.5
|
1.0
|
|
C
|
C:ASP255
|
5.0
|
66.3
|
1.0
|
|
N
|
C:ASP262
|
5.0
|
58.3
|
1.0
|
|
Calcium binding site 4 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 4 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca402
b:63.7
occ:1.00
|
OD1
|
C:ASN286
|
2.4
|
57.8
|
1.0
|
|
OD2
|
C:ASP295
|
2.5
|
64.0
|
1.0
|
|
O
|
C:ALA290
|
2.6
|
63.3
|
1.0
|
|
OD1
|
C:ASN288
|
2.6
|
66.8
|
1.0
|
|
OD1
|
C:ASP284
|
2.6
|
59.8
|
1.0
|
|
OD1
|
C:ASP295
|
2.7
|
60.0
|
1.0
|
|
CG
|
C:ASP295
|
2.9
|
58.9
|
1.0
|
|
CG
|
C:ASN288
|
3.0
|
68.2
|
1.0
|
|
ND2
|
C:ASN288
|
3.2
|
62.9
|
1.0
|
|
CG
|
C:ASN286
|
3.4
|
58.6
|
1.0
|
|
C
|
C:ALA290
|
3.7
|
67.3
|
1.0
|
|
CG
|
C:ASP284
|
3.8
|
64.0
|
1.0
|
|
ND2
|
C:ASN286
|
3.9
|
52.8
|
1.0
|
|
OE1
|
C:GLN294
|
4.1
|
60.0
|
1.0
|
|
OD1
|
C:ASN292
|
4.1
|
65.7
|
1.0
|
|
CB
|
C:ASN288
|
4.2
|
62.3
|
1.0
|
|
N
|
C:ASN288
|
4.3
|
63.2
|
1.0
|
|
CB
|
C:ASP295
|
4.3
|
51.9
|
1.0
|
|
N
|
C:ASN286
|
4.5
|
53.7
|
1.0
|
|
ND2
|
C:ASN292
|
4.5
|
59.0
|
1.0
|
|
OD2
|
C:ASP284
|
4.5
|
61.4
|
1.0
|
|
CA
|
C:ILE291
|
4.5
|
65.9
|
1.0
|
|
N
|
C:ALA290
|
4.5
|
66.5
|
1.0
|
|
CG
|
C:ASN292
|
4.5
|
61.2
|
1.0
|
|
CA
|
C:ASP284
|
4.6
|
58.0
|
1.0
|
|
N
|
C:ILE291
|
4.6
|
65.2
|
1.0
|
|
C
|
C:ASP284
|
4.6
|
59.9
|
1.0
|
|
N
|
C:ASN292
|
4.7
|
52.9
|
1.0
|
|
CB
|
C:ASN286
|
4.7
|
57.4
|
1.0
|
|
CA
|
C:ALA290
|
4.7
|
67.9
|
1.0
|
|
N
|
C:ASP295
|
4.7
|
56.3
|
1.0
|
|
CB
|
C:ASP284
|
4.8
|
57.4
|
1.0
|
|
CA
|
C:ASN288
|
4.8
|
60.9
|
1.0
|
|
N
|
C:ILE285
|
4.8
|
55.0
|
1.0
|
|
N
|
C:ARG287
|
4.8
|
55.1
|
1.0
|
|
CA
|
C:ASP295
|
4.9
|
55.4
|
1.0
|
|
CA
|
C:ASN286
|
5.0
|
53.7
|
1.0
|
|
C
|
C:ASN286
|
5.0
|
52.6
|
1.0
|
|
CD
|
C:GLN294
|
5.0
|
57.6
|
1.0
|
|
Calcium binding site 5 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 5 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca101
b:91.0
occ:1.00
|
OD1
|
D:ASP28
|
2.5
|
87.5
|
1.0
|
|
OD1
|
D:ASN26
|
2.6
|
81.0
|
1.0
|
|
OD1
|
D:ASP35
|
2.6
|
87.0
|
1.0
|
|
O
|
D:LYS30
|
2.6
|
90.8
|
1.0
|
|
OD1
|
D:ASP24
|
2.7
|
92.6
|
1.0
|
|
OD2
|
D:ASP35
|
2.8
|
89.3
|
1.0
|
|
CG
|
D:ASP35
|
3.0
|
86.7
|
1.0
|
|
CG
|
D:ASP28
|
3.3
|
88.8
|
1.0
|
|
C
|
D:LYS30
|
3.5
|
86.3
|
1.0
|
|
OD2
|
D:ASP28
|
3.5
|
85.3
|
1.0
|
|
CG
|
D:ASN26
|
3.6
|
82.0
|
1.0
|
|
CG
|
D:ASP24
|
3.9
|
95.3
|
1.0
|
|
OD1
|
D:ASN32
|
4.0
|
85.8
|
1.0
|
|
ND2
|
D:ASN26
|
4.1
|
80.9
|
1.0
|
|
N
|
D:VAL31
|
4.2
|
81.0
|
1.0
|
|
CA
|
D:VAL31
|
4.2
|
79.2
|
1.0
|
|
CA
|
D:LYS30
|
4.3
|
86.9
|
1.0
|
|
CB
|
D:LYS30
|
4.3
|
75.4
|
1.0
|
|
CB
|
D:ASP35
|
4.3
|
79.1
|
1.0
|
|
N
|
D:ASN32
|
4.4
|
75.5
|
1.0
|
|
N
|
D:LYS30
|
4.4
|
90.9
|
1.0
|
|
CG
|
D:ASN32
|
4.4
|
82.7
|
1.0
|
|
N
|
D:ASP28
|
4.5
|
88.2
|
1.0
|
|
ND2
|
D:ASN32
|
4.5
|
87.9
|
1.0
|
|
CA
|
D:ASP24
|
4.5
|
86.0
|
1.0
|
|
N
|
D:ASN26
|
4.6
|
83.5
|
1.0
|
|
CB
|
D:ASP28
|
4.7
|
90.8
|
1.0
|
|
N
|
D:ASP35
|
4.7
|
73.5
|
1.0
|
|
OD2
|
D:ASP24
|
4.7
|
93.2
|
1.0
|
|
CB
|
D:ASP24
|
4.8
|
87.3
|
1.0
|
|
C
|
D:ASP24
|
4.8
|
90.7
|
1.0
|
|
C
|
D:VAL31
|
4.8
|
80.1
|
1.0
|
|
CB
|
D:ASN26
|
4.8
|
88.4
|
1.0
|
|
N
|
D:ASP27
|
4.8
|
94.4
|
1.0
|
|
N
|
D:VAL25
|
4.9
|
85.1
|
1.0
|
|
CA
|
D:ASP35
|
4.9
|
72.9
|
1.0
|
|
OE2
|
F:GLU137
|
4.9
|
86.8
|
1.0
|
|
Calcium binding site 6 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 6 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca102
b:97.0
occ:1.00
|
OD1
|
D:ASP64
|
2.6
|
99.5
|
1.0
|
|
OD1
|
D:ASP60
|
2.8
|
93.6
|
1.0
|
|
OD1
|
D:ASP71
|
2.8
|
0.6
|
1.0
|
|
OD1
|
D:ASN62
|
2.8
|
95.3
|
1.0
|
|
OD2
|
D:ASP71
|
2.9
|
92.3
|
1.0
|
|
O
|
D:ARG66
|
2.9
|
0.8
|
1.0
|
|
CG
|
D:ASP71
|
3.0
|
95.9
|
1.0
|
|
CG
|
D:ASP64
|
3.3
|
0.5
|
1.0
|
|
ND2
|
D:ASN62
|
3.3
|
96.8
|
1.0
|
|
OD2
|
D:ASP64
|
3.4
|
0.7
|
1.0
|
|
CG
|
D:ASN62
|
3.5
|
96.8
|
1.0
|
|
C
|
D:ARG66
|
3.6
|
99.8
|
1.0
|
|
ND2
|
D:ASN68
|
3.8
|
0.5
|
1.0
|
|
CG
|
D:ASP60
|
3.9
|
98.1
|
1.0
|
|
N
|
D:ASN68
|
4.0
|
86.2
|
1.0
|
|
N
|
D:ASP71
|
4.1
|
80.5
|
1.0
|
|
CB
|
D:ASP71
|
4.2
|
90.7
|
1.0
|
|
N
|
D:VAL67
|
4.3
|
91.7
|
1.0
|
|
CB
|
D:ARG66
|
4.3
|
90.0
|
1.0
|
|
CA
|
D:VAL67
|
4.3
|
86.4
|
1.0
|
|
CB
|
D:SER70
|
4.4
|
87.8
|
1.0
|
|
CA
|
D:ARG66
|
4.4
|
0.6
|
1.0
|
|
OD2
|
D:ASP60
|
4.5
|
98.0
|
1.0
|
|
CG
|
D:ASN68
|
4.5
|
91.6
|
1.0
|
|
CA
|
D:ASP71
|
4.6
|
83.7
|
1.0
|
|
O
|
D:ASN68
|
4.6
|
86.8
|
1.0
|
|
CB
|
D:ASP64
|
4.7
|
0.3
|
1.0
|
|
C
|
D:VAL67
|
4.7
|
87.5
|
1.0
|
|
N
|
D:ARG66
|
4.8
|
0.4
|
1.0
|
|
OD1
|
D:ASN68
|
4.8
|
92.6
|
1.0
|
|
CB
|
D:ASN62
|
4.9
|
97.4
|
1.0
|
|
N
|
D:ASP64
|
4.9
|
0.6
|
1.0
|
|
Calcium binding site 7 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 7 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca401
b:59.4
occ:1.00
|
O
|
F:ALA290
|
2.3
|
60.5
|
1.0
|
|
OD1
|
F:ASN286
|
2.5
|
55.3
|
1.0
|
|
OD1
|
F:ASN288
|
2.5
|
63.7
|
1.0
|
|
OD1
|
F:ASP295
|
2.5
|
58.6
|
1.0
|
|
OD1
|
F:ASP284
|
2.5
|
65.1
|
1.0
|
|
OD2
|
F:ASP295
|
2.7
|
55.5
|
1.0
|
|
CG
|
F:ASP295
|
2.9
|
60.0
|
1.0
|
|
CG
|
F:ASN288
|
3.0
|
66.7
|
1.0
|
|
ND2
|
F:ASN288
|
3.1
|
71.0
|
1.0
|
|
C
|
F:ALA290
|
3.6
|
65.3
|
1.0
|
|
CG
|
F:ASN286
|
3.7
|
60.1
|
1.0
|
|
CG
|
F:ASP284
|
3.7
|
64.3
|
1.0
|
|
OD1
|
F:ASN292
|
4.0
|
63.9
|
1.0
|
|
N
|
F:ASN288
|
4.2
|
66.9
|
1.0
|
|
CB
|
F:ASN288
|
4.2
|
62.6
|
1.0
|
|
ND2
|
F:ASN286
|
4.3
|
62.7
|
1.0
|
|
OE1
|
F:GLN294
|
4.3
|
62.4
|
1.0
|
|
CB
|
F:ASP295
|
4.4
|
55.1
|
1.0
|
|
CA
|
F:ASP284
|
4.4
|
56.7
|
1.0
|
|
N
|
F:ALA290
|
4.4
|
65.2
|
1.0
|
|
C
|
F:ASP284
|
4.4
|
58.7
|
1.0
|
|
CA
|
F:ILE291
|
4.4
|
65.8
|
1.0
|
|
N
|
F:ILE291
|
4.4
|
66.3
|
1.0
|
|
N
|
F:ASN286
|
4.4
|
55.1
|
1.0
|
|
OD2
|
F:ASP284
|
4.5
|
62.6
|
1.0
|
|
CB
|
F:ASP284
|
4.5
|
61.8
|
1.0
|
|
CA
|
F:ALA290
|
4.5
|
64.7
|
1.0
|
|
N
|
F:ASN292
|
4.6
|
66.1
|
1.0
|
|
O
|
F:ASP284
|
4.6
|
61.8
|
1.0
|
|
CA
|
F:ASN288
|
4.7
|
65.0
|
1.0
|
|
N
|
F:ILE285
|
4.7
|
53.5
|
1.0
|
|
N
|
F:ARG287
|
4.7
|
58.9
|
1.0
|
|
CG
|
F:ASN292
|
4.7
|
62.3
|
1.0
|
|
N
|
F:ASP295
|
4.8
|
59.4
|
1.0
|
|
CB
|
F:ASN286
|
4.8
|
59.2
|
1.0
|
|
N
|
F:GLY289
|
4.9
|
61.3
|
1.0
|
|
CA
|
F:ASP295
|
5.0
|
57.1
|
1.0
|
|
CA
|
F:ASN286
|
5.0
|
58.1
|
1.0
|
|
Calcium binding site 8 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 8 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca402
b:69.2
occ:1.00
|
O
|
F:VAL253
|
2.4
|
64.8
|
1.0
|
|
O
|
F:SER257
|
2.5
|
60.4
|
1.0
|
|
OD1
|
F:ASP262
|
2.6
|
64.9
|
1.0
|
|
OD2
|
F:ASP262
|
2.6
|
61.9
|
1.0
|
|
OD1
|
F:ASP251
|
2.7
|
68.9
|
1.0
|
|
OD2
|
F:ASP255
|
2.7
|
77.8
|
1.0
|
|
CG
|
F:ASP262
|
3.0
|
64.6
|
1.0
|
|
OD1
|
F:ASP255
|
3.0
|
79.7
|
1.0
|
|
CG
|
F:ASP255
|
3.0
|
80.9
|
1.0
|
|
C
|
F:VAL253
|
3.6
|
70.8
|
1.0
|
|
C
|
F:SER257
|
3.6
|
64.3
|
1.0
|
|
CG
|
F:ASP251
|
3.8
|
70.3
|
1.0
|
|
N
|
F:ASP255
|
3.9
|
65.2
|
1.0
|
|
OD1
|
F:ASN259
|
3.9
|
61.3
|
1.0
|
|
N
|
F:SER257
|
4.2
|
68.7
|
1.0
|
|
N
|
F:VAL253
|
4.2
|
61.7
|
1.0
|
|
CB
|
F:ASP255
|
4.2
|
66.8
|
1.0
|
|
CG2
|
F:VAL253
|
4.3
|
56.9
|
1.0
|
|
CA
|
F:ASP251
|
4.4
|
61.3
|
1.0
|
|
CA
|
F:VAL253
|
4.4
|
68.2
|
1.0
|
|
CA
|
F:SER257
|
4.4
|
69.4
|
1.0
|
|
CB
|
F:ASP262
|
4.4
|
61.7
|
1.0
|
|
N
|
F:ILE252
|
4.5
|
63.0
|
1.0
|
|
CA
|
F:ASP255
|
4.5
|
64.0
|
1.0
|
|
OD2
|
F:ASP251
|
4.5
|
75.3
|
1.0
|
|
N
|
F:LYS254
|
4.5
|
73.1
|
1.0
|
|
N
|
F:ILE258
|
4.6
|
62.4
|
1.0
|
|
C
|
F:LYS254
|
4.6
|
68.7
|
1.0
|
|
CB
|
F:ASP251
|
4.6
|
65.8
|
1.0
|
|
CA
|
F:LYS254
|
4.6
|
68.5
|
1.0
|
|
CB
|
F:SER257
|
4.7
|
69.1
|
1.0
|
|
CA
|
F:ILE258
|
4.7
|
66.7
|
1.0
|
|
CG
|
F:ASN259
|
4.7
|
59.4
|
1.0
|
|
C
|
F:ASP251
|
4.7
|
59.4
|
1.0
|
|
CB
|
F:VAL253
|
4.8
|
61.3
|
1.0
|
|
N
|
F:ASN259
|
4.8
|
59.1
|
1.0
|
|
N
|
F:ASN256
|
4.9
|
63.8
|
1.0
|
|
C
|
F:ASP255
|
4.9
|
67.8
|
1.0
|
|
N
|
F:ASP262
|
4.9
|
58.2
|
1.0
|
|
ND2
|
F:ASN259
|
5.0
|
66.1
|
1.0
|
|
Calcium binding site 9 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 9 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca101
b:72.5
occ:1.00
|
O
|
G:LYS30
|
2.5
|
79.8
|
1.0
|
|
OD1
|
G:ASP24
|
2.5
|
78.7
|
1.0
|
|
OD1
|
G:ASP35
|
2.6
|
71.7
|
1.0
|
|
OD2
|
G:ASP35
|
2.6
|
73.3
|
1.0
|
|
OD1
|
G:ASP28
|
2.6
|
75.2
|
1.0
|
|
OD1
|
G:ASN26
|
2.7
|
78.3
|
1.0
|
|
CG
|
G:ASP35
|
2.9
|
72.7
|
1.0
|
|
CG
|
G:ASP28
|
3.4
|
76.9
|
1.0
|
|
C
|
G:LYS30
|
3.6
|
78.0
|
1.0
|
|
CG
|
G:ASN26
|
3.6
|
74.8
|
1.0
|
|
CG
|
G:ASP24
|
3.7
|
82.1
|
1.0
|
|
OD2
|
G:ASP28
|
3.7
|
74.6
|
1.0
|
|
N
|
G:ASP28
|
4.1
|
80.4
|
1.0
|
|
ND2
|
G:ASN26
|
4.2
|
69.4
|
1.0
|
|
N
|
G:LYS30
|
4.3
|
82.0
|
1.0
|
|
CA
|
G:ASP24
|
4.3
|
75.5
|
1.0
|
|
OD1
|
G:ASN32
|
4.4
|
74.6
|
1.0
|
|
N
|
G:ASN26
|
4.4
|
72.5
|
1.0
|
|
CA
|
G:LYS30
|
4.4
|
74.8
|
1.0
|
|
CB
|
G:ASP35
|
4.4
|
63.7
|
1.0
|
|
N
|
G:VAL31
|
4.4
|
77.7
|
1.0
|
|
CA
|
G:VAL31
|
4.4
|
71.6
|
1.0
|
|
OD2
|
G:ASP24
|
4.5
|
81.8
|
1.0
|
|
CB
|
G:ASP28
|
4.5
|
77.8
|
1.0
|
|
CB
|
G:ASP24
|
4.5
|
76.3
|
1.0
|
|
N
|
G:GLY29
|
4.6
|
72.0
|
1.0
|
|
C
|
G:ASP24
|
4.6
|
78.9
|
1.0
|
|
N
|
G:ASP27
|
4.6
|
82.6
|
1.0
|
|
CA
|
G:ASP28
|
4.6
|
77.1
|
1.0
|
|
N
|
G:ASN32
|
4.7
|
64.8
|
1.0
|
|
N
|
G:VAL25
|
4.7
|
76.7
|
1.0
|
|
CB
|
G:ASN26
|
4.7
|
71.4
|
1.0
|
|
C
|
G:ASN26
|
4.8
|
80.3
|
1.0
|
|
CB
|
G:LYS30
|
4.8
|
62.1
|
1.0
|
|
C
|
G:ASP28
|
4.8
|
78.0
|
1.0
|
|
CG
|
G:ASN32
|
4.8
|
72.5
|
1.0
|
|
CA
|
G:ASN26
|
4.8
|
76.0
|
1.0
|
|
ND2
|
G:ASN32
|
4.9
|
76.2
|
1.0
|
|
N
|
G:ASP35
|
5.0
|
62.8
|
1.0
|
|
Calcium binding site 10 out
of 16 in 4fl4
Go back to
Calcium Binding Sites List in 4fl4
Calcium binding site 10 out
of 16 in the Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca102
b:90.0
occ:1.00
|
OD2
|
G:ASP71
|
2.6
|
85.9
|
1.0
|
|
OD1
|
G:ASP64
|
2.7
|
93.0
|
1.0
|
|
OD1
|
G:ASN62
|
2.7
|
90.1
|
1.0
|
|
OD1
|
G:ASP60
|
2.7
|
77.9
|
1.0
|
|
O
|
G:ARG66
|
2.8
|
88.5
|
1.0
|
|
OD1
|
G:ASP71
|
2.8
|
85.8
|
1.0
|
|
CG
|
G:ASP71
|
2.9
|
86.2
|
1.0
|
|
ND2
|
G:ASN62
|
3.1
|
69.0
|
1.0
|
|
CG
|
G:ASN62
|
3.2
|
86.5
|
1.0
|
|
CG
|
G:ASP64
|
3.3
|
91.0
|
1.0
|
|
OD2
|
G:ASP64
|
3.4
|
84.3
|
1.0
|
|
ND2
|
G:ASN68
|
3.4
|
90.3
|
1.0
|
|
C
|
G:ARG66
|
3.7
|
90.1
|
1.0
|
|
CG
|
G:ASP60
|
4.0
|
89.2
|
1.0
|
|
CG
|
G:ASN68
|
4.2
|
87.0
|
1.0
|
|
N
|
G:ASP71
|
4.3
|
75.4
|
1.0
|
|
CB
|
G:ASP71
|
4.3
|
81.6
|
1.0
|
|
OD1
|
G:ASN68
|
4.4
|
85.3
|
1.0
|
|
N
|
G:ASN68
|
4.4
|
74.5
|
1.0
|
|
N
|
G:VAL67
|
4.5
|
81.2
|
1.0
|
|
CB
|
G:ARG66
|
4.5
|
87.7
|
1.0
|
|
CA
|
G:ARG66
|
4.5
|
91.8
|
1.0
|
|
CA
|
G:VAL67
|
4.6
|
79.8
|
1.0
|
|
CB
|
G:ASP64
|
4.6
|
84.5
|
1.0
|
|
OD2
|
G:ASP60
|
4.6
|
93.6
|
1.0
|
|
CA
|
G:ASP71
|
4.7
|
74.4
|
1.0
|
|
CB
|
G:ASN62
|
4.7
|
88.6
|
1.0
|
|
CB
|
G:SER70
|
4.8
|
80.3
|
1.0
|
|
N
|
G:ARG66
|
4.8
|
89.7
|
1.0
|
|
CB
|
G:ASP60
|
5.0
|
85.5
|
1.0
|
|
Reference:
M.A.Currie,
J.J.Adams,
F.Faucher,
E.A.Bayer,
Z.Jia,
S.P.Smith.
Scaffoldin Conformation and Dynamics Revealed By A Ternary Complex From the Clostridium Thermocellum Cellulosome. J.Biol.Chem. V. 287 26953 2012.
ISSN: ISSN 0021-9258
PubMed: 22707718
DOI: 10.1074/JBC.M112.343897
Page generated: Sat Dec 12 04:46:54 2020
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