Calcium in PDB 6eg5: The Structure of Sb-1-202-Tubulin Complex
Protein crystallography data
The structure of The Structure of Sb-1-202-Tubulin Complex, PDB code: 6eg5
was solved by
A.K.Banerjee,
Y.Wang,
H.Chen,
D.Miller,
W.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.45
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
105.541,
158.033,
181.870,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.6 /
23.6
|
Other elements in 6eg5:
The structure of The Structure of Sb-1-202-Tubulin Complex also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the The Structure of Sb-1-202-Tubulin Complex
(pdb code 6eg5). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
The Structure of Sb-1-202-Tubulin Complex, PDB code: 6eg5:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6eg5
Go back to
Calcium Binding Sites List in 6eg5
Calcium binding site 1 out
of 4 in the The Structure of Sb-1-202-Tubulin Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of The Structure of Sb-1-202-Tubulin Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:52.1
occ:1.00
|
O
|
A:GLY44
|
2.4
|
51.6
|
1.0
|
OD2
|
A:ASP39
|
2.4
|
51.3
|
1.0
|
OD1
|
A:ASP39
|
2.4
|
48.8
|
1.0
|
OE2
|
A:GLU55
|
2.6
|
53.3
|
1.0
|
O
|
A:THR41
|
2.6
|
72.5
|
1.0
|
CG
|
A:ASP39
|
2.8
|
52.4
|
1.0
|
OE1
|
A:GLU55
|
2.8
|
54.5
|
1.0
|
CD
|
A:GLU55
|
3.1
|
54.2
|
1.0
|
C
|
A:GLY44
|
3.5
|
55.6
|
1.0
|
CB
|
A:THR41
|
3.6
|
67.1
|
1.0
|
C
|
A:THR41
|
3.6
|
69.5
|
1.0
|
CA
|
A:THR41
|
4.0
|
67.2
|
1.0
|
CA
|
A:GLY45
|
4.2
|
58.1
|
1.0
|
CZ
|
A:PHE49
|
4.2
|
52.4
|
1.0
|
N
|
A:GLY45
|
4.3
|
56.5
|
1.0
|
CB
|
A:ASP39
|
4.3
|
54.7
|
1.0
|
CG2
|
A:THR41
|
4.3
|
68.9
|
1.0
|
N
|
A:THR41
|
4.3
|
61.3
|
1.0
|
OD1
|
A:ASN50
|
4.5
|
50.1
|
1.0
|
OD2
|
A:ASP47
|
4.5
|
51.7
|
1.0
|
CA
|
A:GLY44
|
4.5
|
56.5
|
1.0
|
N
|
A:GLY44
|
4.5
|
56.9
|
1.0
|
O
|
A:HOH626
|
4.6
|
43.3
|
1.0
|
CG
|
A:GLU55
|
4.6
|
52.6
|
1.0
|
ND2
|
A:ASN50
|
4.6
|
46.7
|
1.0
|
OG1
|
A:THR41
|
4.6
|
71.2
|
1.0
|
NE2
|
A:HIS61
|
4.7
|
61.8
|
1.0
|
CE1
|
A:PHE49
|
4.7
|
52.9
|
1.0
|
N
|
A:ILE42
|
4.8
|
67.7
|
1.0
|
CG
|
A:ASN50
|
5.0
|
45.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6eg5
Go back to
Calcium Binding Sites List in 6eg5
Calcium binding site 2 out
of 4 in the The Structure of Sb-1-202-Tubulin Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of The Structure of Sb-1-202-Tubulin Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca503
b:76.3
occ:1.00
|
OE2
|
B:GLU111
|
2.8
|
59.8
|
1.0
|
O
|
B:HOH706
|
2.9
|
63.9
|
1.0
|
CD
|
B:GLU111
|
3.6
|
57.8
|
1.0
|
OE1
|
B:GLU111
|
3.6
|
62.6
|
1.0
|
O
|
B:HOH679
|
4.4
|
33.9
|
1.0
|
OE1
|
B:GLU108
|
4.6
|
33.4
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6eg5
Go back to
Calcium Binding Sites List in 6eg5
Calcium binding site 3 out
of 4 in the The Structure of Sb-1-202-Tubulin Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of The Structure of Sb-1-202-Tubulin Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca503
b:35.8
occ:1.00
|
OG1
|
C:THR41
|
2.4
|
43.6
|
1.0
|
OD2
|
C:ASP39
|
2.4
|
38.6
|
1.0
|
O
|
C:THR41
|
2.4
|
48.3
|
1.0
|
OE2
|
C:GLU55
|
2.5
|
35.2
|
1.0
|
O
|
C:HOH640
|
2.5
|
29.6
|
1.0
|
OE1
|
C:GLU55
|
2.5
|
33.3
|
1.0
|
OD1
|
C:ASP39
|
2.5
|
43.3
|
1.0
|
O
|
C:GLY44
|
2.6
|
38.8
|
1.0
|
CG
|
C:ASP39
|
2.8
|
42.5
|
1.0
|
CD
|
C:GLU55
|
2.9
|
33.0
|
1.0
|
CB
|
C:THR41
|
3.5
|
44.0
|
1.0
|
C
|
C:THR41
|
3.5
|
44.8
|
1.0
|
C
|
C:GLY44
|
3.5
|
40.4
|
1.0
|
CA
|
C:THR41
|
3.9
|
44.9
|
1.0
|
N
|
C:THR41
|
4.2
|
45.7
|
1.0
|
N
|
C:GLY45
|
4.2
|
40.5
|
1.0
|
CA
|
C:GLY45
|
4.3
|
40.9
|
1.0
|
CB
|
C:ASP39
|
4.4
|
42.0
|
1.0
|
CG
|
C:GLU55
|
4.4
|
31.9
|
1.0
|
N
|
C:GLY44
|
4.5
|
40.6
|
1.0
|
CA
|
C:GLY44
|
4.5
|
40.7
|
1.0
|
O
|
C:HOH644
|
4.5
|
41.5
|
1.0
|
CZ
|
C:PHE49
|
4.5
|
31.4
|
1.0
|
O
|
C:HOH677
|
4.6
|
46.2
|
1.0
|
NE2
|
C:HIS61
|
4.6
|
32.9
|
1.0
|
OD2
|
C:ASP47
|
4.6
|
43.1
|
1.0
|
N
|
C:ILE42
|
4.7
|
44.5
|
1.0
|
OD1
|
C:ASN50
|
4.7
|
27.4
|
1.0
|
CG2
|
C:THR41
|
4.8
|
43.1
|
1.0
|
CE1
|
C:PHE49
|
4.8
|
32.1
|
1.0
|
ND2
|
C:ASN50
|
4.9
|
26.1
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6eg5
Go back to
Calcium Binding Sites List in 6eg5
Calcium binding site 4 out
of 4 in the The Structure of Sb-1-202-Tubulin Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of The Structure of Sb-1-202-Tubulin Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca201
b:73.1
occ:1.00
|
O
|
E:HOH315
|
2.3
|
64.5
|
1.0
|
O
|
A:HOH620
|
2.8
|
48.9
|
1.0
|
O
|
A:HOH686
|
2.9
|
38.0
|
1.0
|
OD2
|
E:ASP44
|
3.4
|
82.4
|
1.0
|
O
|
A:HOH725
|
4.0
|
37.2
|
1.0
|
OG
|
A:SER158
|
4.1
|
38.8
|
1.0
|
O
|
A:GLU196
|
4.2
|
44.7
|
1.0
|
NZ
|
A:LYS166
|
4.3
|
32.2
|
1.0
|
CG
|
E:ASP44
|
4.5
|
84.3
|
1.0
|
O
|
A:GLY162
|
4.5
|
50.8
|
1.0
|
OD1
|
A:ASP199
|
4.5
|
29.3
|
1.0
|
OD1
|
E:ASP44
|
4.8
|
78.2
|
1.0
|
CA
|
A:HIS197
|
4.9
|
39.8
|
1.0
|
CB
|
A:SER158
|
4.9
|
40.5
|
1.0
|
O
|
A:HIS197
|
4.9
|
38.8
|
1.0
|
|
Reference:
H.Chen,
Y.Wang,
W.Li.
The Structure of Sb-1-202/Sb-2-204-Tubulin Complex To Be Published.
Page generated: Mon Jul 15 18:21:03 2024
|