Calcium in PDB 1bc3: Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Protein crystallography data
The structure of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K), PDB code: 1bc3
was solved by
Y.D.Mo,
M.A.Swairjo,
C.W.Li,
J.F.Head,
B.A.Seaton,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
1.95
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
157.340,
157.340,
37.590,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
25.9 /
21.1
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
(pdb code 1bc3). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the
Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K), PDB code: 1bc3:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
Calcium binding site 1 out
of 5 in 1bc3
Go back to
Calcium Binding Sites List in 1bc3
Calcium binding site 1 out
of 5 in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca401
b:3.9
occ:1.00
|
O
|
A:GLY28
|
2.6
|
49.1
|
1.0
|
O
|
A:GLY30
|
2.7
|
32.1
|
1.0
|
O
|
A:MET26
|
2.7
|
26.3
|
1.0
|
OE2
|
A:GLU70
|
2.7
|
40.8
|
1.0
|
OE1
|
A:GLU70
|
2.7
|
38.5
|
1.0
|
O
|
A:HOH599
|
2.7
|
46.0
|
1.0
|
O
|
A:HOH525
|
2.9
|
44.4
|
1.0
|
CD
|
A:GLU70
|
3.1
|
39.2
|
1.0
|
C
|
A:GLY30
|
3.7
|
36.2
|
1.0
|
N
|
A:GLY30
|
3.8
|
45.5
|
1.0
|
C
|
A:MET26
|
3.8
|
26.8
|
1.0
|
C
|
A:GLY28
|
3.8
|
49.1
|
1.0
|
OG1
|
A:THR31
|
4.2
|
30.3
|
1.0
|
CA
|
A:GLY30
|
4.3
|
41.2
|
1.0
|
C
|
A:LEU29
|
4.3
|
47.7
|
1.0
|
CA
|
A:MET26
|
4.5
|
23.7
|
1.0
|
CA
|
A:LEU29
|
4.5
|
49.0
|
1.0
|
CG
|
A:GLU70
|
4.6
|
36.4
|
1.0
|
C
|
A:LYS27
|
4.6
|
42.2
|
1.0
|
N
|
A:GLY28
|
4.6
|
44.1
|
1.0
|
N
|
A:LEU29
|
4.6
|
50.1
|
1.0
|
O
|
A:HOH574
|
4.7
|
23.0
|
1.0
|
N
|
A:THR31
|
4.7
|
34.4
|
1.0
|
O
|
A:LYS27
|
4.7
|
41.4
|
1.0
|
CA
|
A:GLY28
|
4.8
|
48.4
|
1.0
|
N
|
A:LYS27
|
4.8
|
33.0
|
1.0
|
O
|
A:HOH555
|
4.9
|
30.8
|
1.0
|
O
|
A:LEU29
|
5.0
|
49.5
|
1.0
|
CA
|
A:THR31
|
5.0
|
30.6
|
1.0
|
|
Calcium binding site 2 out
of 5 in 1bc3
Go back to
Calcium Binding Sites List in 1bc3
Calcium binding site 2 out
of 5 in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca402
b:27.6
occ:1.00
|
O
|
A:LYS68
|
2.7
|
27.1
|
1.0
|
OE2
|
A:GLU76
|
2.9
|
35.1
|
1.0
|
O
|
A:HOH600
|
2.9
|
53.7
|
1.0
|
O
|
A:LEU71
|
3.1
|
32.6
|
1.0
|
C
|
A:LYS68
|
3.9
|
26.0
|
1.0
|
CD
|
A:GLU76
|
4.0
|
28.3
|
1.0
|
C
|
A:LEU71
|
4.3
|
30.6
|
1.0
|
CA
|
A:LYS72
|
4.6
|
34.4
|
1.0
|
CG
|
A:LYS72
|
4.8
|
50.2
|
1.0
|
CG
|
A:GLU76
|
4.8
|
26.0
|
1.0
|
CA
|
A:LYS68
|
4.8
|
20.2
|
1.0
|
CA
|
A:SER69
|
4.8
|
29.1
|
1.0
|
N
|
A:SER69
|
4.9
|
27.9
|
1.0
|
N
|
A:LYS72
|
4.9
|
32.5
|
1.0
|
OE1
|
A:GLU76
|
4.9
|
38.8
|
1.0
|
|
Calcium binding site 3 out
of 5 in 1bc3
Go back to
Calcium Binding Sites List in 1bc3
Calcium binding site 3 out
of 5 in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca407
b:2.0
occ:1.00
|
O
|
A:LYS184
|
2.6
|
12.1
|
1.0
|
O
|
A:GLY181
|
2.6
|
8.8
|
1.0
|
O
|
A:GLY186
|
2.6
|
15.0
|
1.0
|
OE1
|
A:GLU226
|
2.7
|
16.4
|
1.0
|
OE2
|
A:GLU226
|
2.8
|
16.8
|
1.0
|
O
|
A:HOH603
|
2.9
|
12.2
|
1.0
|
CD
|
A:GLU226
|
3.1
|
17.1
|
1.0
|
C
|
A:GLY181
|
3.5
|
9.1
|
1.0
|
C
|
A:GLY186
|
3.7
|
13.7
|
1.0
|
C
|
A:LYS184
|
3.7
|
10.7
|
1.0
|
N
|
A:GLY186
|
3.8
|
13.1
|
1.0
|
CA
|
A:GLY186
|
4.3
|
12.0
|
1.0
|
CA
|
A:GLY181
|
4.3
|
7.1
|
1.0
|
N
|
A:LYS184
|
4.4
|
12.9
|
1.0
|
N
|
A:GLU182
|
4.4
|
8.4
|
1.0
|
OG1
|
A:THR187
|
4.4
|
16.6
|
1.0
|
CA
|
A:LYS184
|
4.4
|
12.0
|
1.0
|
O
|
A:GLU182
|
4.4
|
10.8
|
1.0
|
CA
|
A:GLU182
|
4.5
|
8.9
|
1.0
|
O
|
A:HOH507
|
4.5
|
17.9
|
1.0
|
C
|
A:GLU182
|
4.6
|
10.0
|
1.0
|
CG
|
A:GLU226
|
4.6
|
13.7
|
1.0
|
C
|
A:TRP185
|
4.6
|
11.0
|
1.0
|
CB
|
A:LYS184
|
4.6
|
10.1
|
1.0
|
N
|
A:TRP185
|
4.7
|
9.5
|
1.0
|
N
|
A:THR187
|
4.7
|
12.7
|
1.0
|
CA
|
A:TRP185
|
4.7
|
7.0
|
1.0
|
CA
|
A:THR187
|
4.9
|
11.3
|
1.0
|
|
Calcium binding site 4 out
of 5 in 1bc3
Go back to
Calcium Binding Sites List in 1bc3
Calcium binding site 4 out
of 5 in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca408
b:14.7
occ:1.00
|
O
|
A:ASP224
|
2.8
|
13.4
|
1.0
|
O
|
A:THR227
|
2.9
|
17.7
|
1.0
|
OD1
|
A:ASP224
|
3.0
|
33.5
|
1.0
|
O
|
A:HOH608
|
3.0
|
57.9
|
1.0
|
OE1
|
A:GLU232
|
3.0
|
19.6
|
1.0
|
CD
|
A:GLU232
|
3.3
|
20.3
|
1.0
|
OE2
|
A:GLU232
|
3.4
|
28.4
|
1.0
|
C
|
A:ASP224
|
3.8
|
17.4
|
1.0
|
CG
|
A:ASP224
|
4.0
|
30.8
|
1.0
|
CA
|
A:ASP224
|
4.0
|
13.9
|
1.0
|
C
|
A:THR227
|
4.1
|
19.9
|
1.0
|
CA
|
A:LYS228
|
4.2
|
27.3
|
1.0
|
CG
|
A:GLU232
|
4.3
|
14.0
|
1.0
|
CB
|
A:LYS228
|
4.4
|
31.0
|
1.0
|
CB
|
A:ASP224
|
4.6
|
23.2
|
1.0
|
N
|
A:LYS228
|
4.6
|
23.8
|
1.0
|
OD2
|
A:ASP224
|
4.8
|
37.7
|
1.0
|
O
|
A:ILE223
|
4.9
|
11.1
|
1.0
|
|
Calcium binding site 5 out
of 5 in 1bc3
Go back to
Calcium Binding Sites List in 1bc3
Calcium binding site 5 out
of 5 in the Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Recombinant Rat Annexin V, Triple Mutant (T72K, S144K, S228K) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca410
b:30.5
occ:1.00
|
O
|
A:GLY261
|
2.8
|
68.4
|
1.0
|
OD2
|
A:ASP301
|
2.9
|
46.6
|
1.0
|
O
|
A:HOH609
|
2.9
|
58.1
|
1.0
|
OD1
|
A:ASP301
|
2.9
|
47.5
|
1.0
|
O
|
A:MET257
|
3.0
|
60.9
|
1.0
|
O
|
A:LYS258
|
3.0
|
96.4
|
1.0
|
O
|
A:GLY259
|
3.1
|
98.6
|
1.0
|
CG
|
A:ASP301
|
3.3
|
46.1
|
1.0
|
N
|
A:GLY261
|
3.3
|
80.8
|
1.0
|
C
|
A:GLY259
|
3.5
|
96.6
|
1.0
|
CA
|
A:ALA260
|
3.6
|
90.8
|
1.0
|
C
|
A:ALA260
|
3.6
|
86.5
|
1.0
|
N
|
A:ALA260
|
3.8
|
94.9
|
1.0
|
C
|
A:GLY261
|
3.8
|
66.9
|
1.0
|
C
|
A:LYS258
|
3.9
|
91.4
|
1.0
|
C
|
A:MET257
|
4.0
|
60.3
|
1.0
|
CA
|
A:GLY261
|
4.1
|
73.8
|
1.0
|
O
|
A:ALA260
|
4.5
|
87.3
|
1.0
|
CA
|
A:GLY259
|
4.6
|
96.7
|
1.0
|
N
|
A:GLY259
|
4.6
|
94.5
|
1.0
|
CB
|
A:ASP301
|
4.8
|
43.2
|
1.0
|
N
|
A:LYS258
|
4.8
|
72.9
|
1.0
|
OG1
|
A:THR262
|
4.8
|
39.8
|
1.0
|
CA
|
A:LYS258
|
4.9
|
85.3
|
1.0
|
CA
|
A:MET257
|
4.9
|
50.8
|
1.0
|
N
|
A:THR262
|
5.0
|
56.9
|
1.0
|
CB
|
A:ALA260
|
5.0
|
93.5
|
1.0
|
|
Reference:
B.Campos,
Y.D.Mo,
T.R.Mealy,
C.W.Li,
M.A.Swairjo,
C.Balch,
J.F.Head,
G.Retzinger,
J.R.Dedman,
B.A.Seaton.
Mutational and Crystallographic Analyses of Interfacial Residues in Annexin V Suggest Direct Interactions with Phospholipid Membrane Components. Biochemistry V. 37 8004 1998.
ISSN: ISSN 0006-2960
PubMed: 9609693
DOI: 10.1021/BI973142N
Page generated: Thu Jul 11 06:20:18 2024
|