Calcium in PDB 5mfg: Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Protein crystallography data
The structure of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4, PDB code: 5mfg
was solved by
S.Hansen,
P.Ernst,
C.Reichen,
C.Ewald,
P.Mittl,
A.Plueckthun,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.65 /
1.90
|
Space group
|
P 62
|
Cell size a, b, c (Å), α, β, γ (°)
|
168.540,
168.540,
80.580,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18.2 /
21.3
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
13;
Binding sites:
The binding sites of Calcium atom in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
(pdb code 5mfg). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 13 binding sites of Calcium where determined in the
Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4, PDB code: 5mfg:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 1 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:53.6
occ:1.00
|
OE1
|
A:GLN60
|
2.2
|
38.4
|
1.0
|
O
|
A:HOH407
|
2.4
|
46.8
|
1.0
|
O
|
A:HOH454
|
2.5
|
46.5
|
1.0
|
OD1
|
A:ASN21
|
2.6
|
48.4
|
1.0
|
HA
|
A:ASN21
|
3.2
|
47.8
|
1.0
|
CD
|
A:GLN60
|
3.4
|
37.0
|
1.0
|
CG
|
A:ASN21
|
3.6
|
44.1
|
1.0
|
HE22
|
A:GLN60
|
3.7
|
44.1
|
1.0
|
HB3
|
A:ASN21
|
3.8
|
51.9
|
1.0
|
NE2
|
A:GLN60
|
4.0
|
36.8
|
1.0
|
CA
|
A:ASN21
|
4.0
|
39.8
|
1.0
|
CB
|
A:ASN21
|
4.0
|
43.3
|
1.0
|
O
|
A:LEU20
|
4.4
|
37.5
|
1.0
|
HB1
|
A:ALA57
|
4.4
|
49.1
|
1.0
|
HB3
|
A:GLN60
|
4.4
|
42.7
|
1.0
|
HA
|
A:ALA57
|
4.5
|
48.6
|
1.0
|
CG
|
A:GLN60
|
4.5
|
37.2
|
1.0
|
HG2
|
A:GLN60
|
4.6
|
44.6
|
1.0
|
HD21
|
A:LEU61
|
4.7
|
48.8
|
1.0
|
ND2
|
A:ASN21
|
4.8
|
49.4
|
1.0
|
HB2
|
A:ALA57
|
4.8
|
49.1
|
1.0
|
HE21
|
A:GLN60
|
4.8
|
44.1
|
1.0
|
N
|
A:ASN21
|
4.9
|
39.9
|
1.0
|
CB
|
A:ALA57
|
5.0
|
40.9
|
1.0
|
HD21
|
A:ASN21
|
5.0
|
59.3
|
1.0
|
HB2
|
A:ASN21
|
5.0
|
51.9
|
1.0
|
CB
|
A:GLN60
|
5.0
|
35.6
|
1.0
|
|
Calcium binding site 2 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 2 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:37.6
occ:1.00
|
O
|
C:HOH405
|
2.3
|
41.5
|
1.0
|
O
|
A:HOH411
|
2.3
|
36.0
|
1.0
|
OE2
|
A:GLU151
|
2.4
|
32.8
|
1.0
|
O
|
A:PRO149
|
2.4
|
32.9
|
1.0
|
OE1
|
C:GLU109
|
2.5
|
33.1
|
1.0
|
O
|
C:PRO107
|
2.6
|
38.2
|
1.0
|
CD
|
A:GLU151
|
3.2
|
32.2
|
1.0
|
HA
|
C:ASN108
|
3.3
|
39.2
|
1.0
|
OE1
|
A:GLU151
|
3.3
|
32.9
|
1.0
|
HA
|
A:ASN150
|
3.3
|
35.8
|
1.0
|
CD
|
C:GLU109
|
3.3
|
37.5
|
1.0
|
H
|
A:GLU151
|
3.4
|
32.6
|
1.0
|
OE2
|
C:GLU109
|
3.5
|
38.5
|
1.0
|
H
|
C:GLU109
|
3.5
|
37.3
|
1.0
|
C
|
A:PRO149
|
3.6
|
31.5
|
1.0
|
C
|
C:PRO107
|
3.7
|
36.3
|
1.0
|
HB2
|
C:PRO107
|
4.0
|
44.6
|
1.0
|
HB2
|
A:PRO149
|
4.0
|
38.4
|
1.0
|
CA
|
C:ASN108
|
4.1
|
32.7
|
1.0
|
CA
|
A:ASN150
|
4.2
|
29.9
|
1.0
|
N
|
A:GLU151
|
4.2
|
27.1
|
1.0
|
N
|
C:GLU109
|
4.2
|
31.1
|
1.0
|
N
|
A:ASN150
|
4.3
|
30.8
|
1.0
|
N
|
C:ASN108
|
4.3
|
34.3
|
1.0
|
CG
|
A:GLU151
|
4.6
|
27.6
|
1.0
|
CA
|
A:PRO149
|
4.7
|
32.7
|
1.0
|
O
|
A:HOH499
|
4.7
|
38.3
|
1.0
|
C
|
A:ASN150
|
4.7
|
28.7
|
1.0
|
C
|
C:ASN108
|
4.7
|
29.1
|
1.0
|
CB
|
A:PRO149
|
4.8
|
32.0
|
1.0
|
CA
|
C:PRO107
|
4.8
|
37.3
|
1.0
|
CB
|
C:PRO107
|
4.8
|
37.2
|
1.0
|
CG
|
C:GLU109
|
4.8
|
33.9
|
1.0
|
HB2
|
C:GLU109
|
4.8
|
38.7
|
1.0
|
HB2
|
A:GLU151
|
4.8
|
34.5
|
1.0
|
HA
|
A:PRO149
|
4.8
|
39.2
|
1.0
|
HG3
|
A:GLU151
|
4.9
|
33.2
|
1.0
|
|
Calcium binding site 3 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 3 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:46.0
occ:1.00
|
O
|
C:HOH404
|
2.3
|
40.8
|
1.0
|
O
|
A:HOH403
|
2.3
|
39.9
|
1.0
|
OE2
|
C:GLU67
|
2.3
|
33.8
|
1.0
|
OE1
|
A:GLU193
|
2.4
|
30.1
|
1.0
|
O
|
A:PRO191
|
2.5
|
37.1
|
1.0
|
O
|
C:PRO65
|
2.6
|
32.2
|
1.0
|
HA
|
C:ASN66
|
3.1
|
35.6
|
1.0
|
HA
|
A:ASN192
|
3.1
|
38.8
|
1.0
|
CD
|
C:GLU67
|
3.2
|
32.5
|
1.0
|
CD
|
A:GLU193
|
3.2
|
35.9
|
1.0
|
OE1
|
C:GLU67
|
3.3
|
33.1
|
1.0
|
OE2
|
A:GLU193
|
3.3
|
37.9
|
1.0
|
H
|
A:GLU193
|
3.4
|
36.7
|
1.0
|
H
|
C:GLU67
|
3.4
|
40.5
|
1.0
|
C
|
A:PRO191
|
3.6
|
34.0
|
1.0
|
C
|
C:PRO65
|
3.6
|
32.9
|
1.0
|
HB2
|
A:PRO191
|
3.9
|
44.1
|
1.0
|
CA
|
C:ASN66
|
4.0
|
29.7
|
1.0
|
CA
|
A:ASN192
|
4.0
|
32.4
|
1.0
|
HB2
|
C:PRO65
|
4.0
|
48.9
|
1.0
|
N
|
A:GLU193
|
4.1
|
30.6
|
1.0
|
N
|
C:GLU67
|
4.1
|
33.7
|
1.0
|
N
|
C:ASN66
|
4.2
|
32.4
|
1.0
|
N
|
A:ASN192
|
4.2
|
34.4
|
1.0
|
C
|
C:ASN66
|
4.6
|
29.1
|
1.0
|
C
|
A:ASN192
|
4.6
|
30.9
|
1.0
|
CG
|
C:GLU67
|
4.6
|
32.5
|
1.0
|
CG
|
A:GLU193
|
4.7
|
35.4
|
1.0
|
CA
|
A:PRO191
|
4.7
|
34.0
|
1.0
|
CB
|
A:PRO191
|
4.7
|
36.8
|
1.0
|
CA
|
C:PRO65
|
4.7
|
37.0
|
1.0
|
HB2
|
A:GLU193
|
4.8
|
37.7
|
1.0
|
CB
|
C:PRO65
|
4.8
|
40.8
|
1.0
|
HB2
|
C:GLU67
|
4.8
|
35.4
|
1.0
|
HA
|
A:PRO191
|
4.9
|
40.9
|
1.0
|
O
|
C:HOH488
|
5.0
|
45.2
|
1.0
|
HG3
|
C:GLU67
|
5.0
|
39.0
|
1.0
|
H
|
C:ASN66
|
5.0
|
38.9
|
1.0
|
|
Calcium binding site 4 out
of 13 in 5mfg
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Calcium Binding Sites List in 5mfg
Calcium binding site 4 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:38.7
occ:1.00
|
O
|
A:HOH406
|
2.3
|
33.3
|
1.0
|
O
|
C:PRO149
|
2.4
|
32.4
|
1.0
|
OE1
|
A:GLU109
|
2.4
|
33.0
|
1.0
|
OE1
|
C:GLU151
|
2.4
|
33.6
|
1.0
|
O
|
A:PRO107
|
2.5
|
34.1
|
1.0
|
O
|
C:HOH413
|
2.7
|
49.2
|
1.0
|
HA
|
C:ASN150
|
3.1
|
37.1
|
1.0
|
CD
|
A:GLU109
|
3.2
|
33.9
|
1.0
|
OE2
|
A:GLU109
|
3.2
|
35.7
|
1.0
|
CD
|
C:GLU151
|
3.3
|
33.0
|
1.0
|
HA
|
A:ASN108
|
3.4
|
38.4
|
1.0
|
OE2
|
C:GLU151
|
3.4
|
37.5
|
1.0
|
H
|
C:GLU151
|
3.4
|
35.6
|
1.0
|
H
|
A:GLU109
|
3.5
|
35.9
|
1.0
|
C
|
C:PRO149
|
3.5
|
34.4
|
1.0
|
C
|
A:PRO107
|
3.7
|
35.2
|
1.0
|
CA
|
C:ASN150
|
4.0
|
30.9
|
1.0
|
HB2
|
C:PRO149
|
4.0
|
43.8
|
1.0
|
HB2
|
A:PRO107
|
4.1
|
42.8
|
1.0
|
N
|
C:GLU151
|
4.2
|
29.7
|
1.0
|
N
|
C:ASN150
|
4.2
|
33.2
|
1.0
|
CA
|
A:ASN108
|
4.2
|
32.0
|
1.0
|
N
|
A:GLU109
|
4.3
|
29.9
|
1.0
|
N
|
A:ASN108
|
4.4
|
34.2
|
1.0
|
O
|
C:HOH503
|
4.6
|
45.5
|
1.0
|
O
|
C:HOH492
|
4.6
|
40.2
|
1.0
|
C
|
C:ASN150
|
4.6
|
30.9
|
1.0
|
CG
|
A:GLU109
|
4.6
|
31.6
|
1.0
|
CA
|
C:PRO149
|
4.6
|
33.5
|
1.0
|
O
|
A:HOH488
|
4.7
|
43.7
|
1.0
|
CG
|
C:GLU151
|
4.7
|
32.4
|
1.0
|
CB
|
C:PRO149
|
4.8
|
36.5
|
1.0
|
CA
|
A:PRO107
|
4.8
|
36.1
|
1.0
|
C
|
A:ASN108
|
4.8
|
32.1
|
1.0
|
HB2
|
A:GLU109
|
4.8
|
39.2
|
1.0
|
HB2
|
C:GLU151
|
4.8
|
40.3
|
1.0
|
HA
|
C:PRO149
|
4.8
|
40.2
|
1.0
|
CB
|
A:PRO107
|
4.9
|
35.7
|
1.0
|
HA
|
A:PRO107
|
5.0
|
43.3
|
1.0
|
HG3
|
A:GLU109
|
5.0
|
37.9
|
1.0
|
HG3
|
C:GLU151
|
5.0
|
38.8
|
1.0
|
|
Calcium binding site 5 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 5 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca305
b:47.8
occ:1.00
|
OE1
|
A:GLU67
|
2.3
|
31.9
|
1.0
|
O
|
A:HOH436
|
2.3
|
47.0
|
1.0
|
O
|
A:PRO65
|
2.4
|
30.8
|
1.0
|
OE1
|
C:GLU193
|
2.5
|
34.1
|
1.0
|
O
|
C:PRO191
|
2.5
|
35.3
|
1.0
|
O
|
C:HOH425
|
2.7
|
47.1
|
1.0
|
HA
|
A:ASN66
|
3.1
|
40.4
|
1.0
|
CD
|
A:GLU67
|
3.1
|
35.6
|
1.0
|
HA
|
C:ASN192
|
3.2
|
36.3
|
1.0
|
OE2
|
A:GLU67
|
3.3
|
44.0
|
1.0
|
CD
|
C:GLU193
|
3.3
|
37.6
|
1.0
|
OE2
|
C:GLU193
|
3.3
|
40.5
|
1.0
|
H
|
A:GLU67
|
3.3
|
40.3
|
1.0
|
C
|
A:PRO65
|
3.5
|
34.1
|
1.0
|
H
|
C:GLU193
|
3.5
|
40.9
|
1.0
|
C
|
C:PRO191
|
3.7
|
34.2
|
1.0
|
CA
|
A:ASN66
|
3.9
|
33.7
|
1.0
|
HB2
|
A:PRO65
|
4.0
|
42.0
|
1.0
|
CA
|
C:ASN192
|
4.1
|
30.2
|
1.0
|
N
|
A:GLU67
|
4.1
|
33.6
|
1.0
|
N
|
A:ASN66
|
4.2
|
32.6
|
1.0
|
HB2
|
C:PRO191
|
4.2
|
45.2
|
1.0
|
N
|
C:GLU193
|
4.3
|
34.1
|
1.0
|
N
|
C:ASN192
|
4.3
|
36.2
|
1.0
|
C
|
A:ASN66
|
4.6
|
34.2
|
1.0
|
CG
|
A:GLU67
|
4.6
|
33.0
|
1.0
|
O
|
A:HOH467
|
4.7
|
54.9
|
1.0
|
CA
|
A:PRO65
|
4.7
|
36.0
|
1.0
|
CG
|
C:GLU193
|
4.7
|
36.8
|
1.0
|
C
|
C:ASN192
|
4.7
|
31.2
|
1.0
|
HB2
|
A:GLU67
|
4.7
|
40.6
|
1.0
|
O
|
C:HOH494
|
4.7
|
50.7
|
1.0
|
CB
|
A:PRO65
|
4.8
|
35.0
|
1.0
|
CA
|
C:PRO191
|
4.8
|
34.9
|
1.0
|
HB2
|
C:GLU193
|
4.9
|
43.1
|
1.0
|
HA
|
A:PRO65
|
4.9
|
43.2
|
1.0
|
HG3
|
A:GLU67
|
5.0
|
39.6
|
1.0
|
|
Calcium binding site 6 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 6 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca306
b:43.5
occ:1.00
|
OE1
|
C:GLU235
|
2.2
|
40.9
|
1.0
|
O
|
C:PRO233
|
2.4
|
50.4
|
1.0
|
OE1
|
A:GLN25
|
2.6
|
38.2
|
1.0
|
OE2
|
C:GLU235
|
2.7
|
49.0
|
1.0
|
CD
|
C:GLU235
|
2.8
|
42.4
|
1.0
|
O
|
A:PRO23
|
2.9
|
41.9
|
1.0
|
HA
|
A:ASP24
|
3.4
|
47.8
|
1.0
|
H
|
C:GLU235
|
3.5
|
46.1
|
1.0
|
HE22
|
A:GLN25
|
3.5
|
43.3
|
1.0
|
HA
|
C:ASN234
|
3.5
|
45.2
|
1.0
|
C
|
C:PRO233
|
3.6
|
43.9
|
1.0
|
H
|
A:GLN25
|
3.6
|
48.6
|
1.0
|
CD
|
A:GLN25
|
3.6
|
37.4
|
1.0
|
HB2
|
C:PRO233
|
3.8
|
53.4
|
1.0
|
NE2
|
A:GLN25
|
3.9
|
36.1
|
1.0
|
C
|
A:PRO23
|
3.9
|
41.8
|
1.0
|
N
|
C:GLU235
|
4.2
|
38.5
|
1.0
|
CA
|
C:ASN234
|
4.3
|
37.7
|
1.0
|
CA
|
A:ASP24
|
4.3
|
39.8
|
1.0
|
HB2
|
A:PRO23
|
4.3
|
50.5
|
1.0
|
CG
|
C:GLU235
|
4.3
|
42.2
|
1.0
|
N
|
C:ASN234
|
4.3
|
42.8
|
1.0
|
N
|
A:GLN25
|
4.3
|
40.5
|
1.0
|
N
|
A:ASP24
|
4.5
|
38.5
|
1.0
|
CA
|
C:PRO233
|
4.5
|
43.6
|
1.0
|
CB
|
C:PRO233
|
4.6
|
44.5
|
1.0
|
HB2
|
C:GLU235
|
4.7
|
50.4
|
1.0
|
HA
|
C:PRO233
|
4.7
|
52.3
|
1.0
|
C
|
C:ASN234
|
4.7
|
36.9
|
1.0
|
HG2
|
C:GLU235
|
4.7
|
50.7
|
1.0
|
HG3
|
C:GLU235
|
4.8
|
50.7
|
1.0
|
HE21
|
A:GLN25
|
4.8
|
43.3
|
1.0
|
HB2
|
A:GLN25
|
4.8
|
44.3
|
1.0
|
C
|
A:ASP24
|
4.9
|
41.5
|
1.0
|
CB
|
C:GLU235
|
4.9
|
42.0
|
1.0
|
CG
|
A:GLN25
|
4.9
|
38.1
|
1.0
|
|
Calcium binding site 7 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 7 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca307
b:54.7
occ:1.00
|
O
|
D:PRO233
|
2.4
|
37.4
|
1.0
|
OE2
|
D:GLU235
|
2.6
|
33.7
|
1.0
|
OE2
|
A:GLU235
|
2.7
|
40.7
|
1.0
|
O
|
A:PRO233
|
2.7
|
38.6
|
1.0
|
HA
|
D:ASN234
|
3.2
|
40.7
|
1.0
|
CD
|
D:GLU235
|
3.3
|
36.0
|
1.0
|
OE1
|
D:GLU235
|
3.3
|
37.5
|
1.0
|
HA
|
A:ASN234
|
3.4
|
41.2
|
1.0
|
C
|
D:PRO233
|
3.5
|
36.7
|
1.0
|
CD
|
A:GLU235
|
3.5
|
40.8
|
1.0
|
OE1
|
A:GLU235
|
3.5
|
45.5
|
1.0
|
H
|
D:GLU235
|
3.6
|
38.9
|
1.0
|
HB2
|
D:PRO233
|
3.7
|
44.3
|
1.0
|
H
|
A:GLU235
|
3.8
|
39.3
|
1.0
|
C
|
A:PRO233
|
3.8
|
38.5
|
1.0
|
HB2
|
A:PRO233
|
4.0
|
56.1
|
1.0
|
CA
|
D:ASN234
|
4.0
|
33.9
|
1.0
|
N
|
D:ASN234
|
4.1
|
35.1
|
1.0
|
CA
|
A:ASN234
|
4.3
|
34.3
|
1.0
|
N
|
D:GLU235
|
4.3
|
32.4
|
1.0
|
N
|
A:ASN234
|
4.5
|
36.5
|
1.0
|
CA
|
D:PRO233
|
4.5
|
33.7
|
1.0
|
CB
|
D:PRO233
|
4.5
|
36.9
|
1.0
|
N
|
A:GLU235
|
4.5
|
32.8
|
1.0
|
C
|
D:ASN234
|
4.7
|
30.3
|
1.0
|
CG
|
D:GLU235
|
4.7
|
33.7
|
1.0
|
HA
|
D:PRO233
|
4.7
|
40.5
|
1.0
|
CB
|
A:PRO233
|
4.9
|
46.8
|
1.0
|
CA
|
A:PRO233
|
4.9
|
41.9
|
1.0
|
HG2
|
D:PRO233
|
4.9
|
41.6
|
1.0
|
H
|
D:ASN234
|
5.0
|
42.1
|
1.0
|
CG
|
A:GLU235
|
5.0
|
35.1
|
1.0
|
C
|
A:ASN234
|
5.0
|
29.8
|
1.0
|
HG3
|
D:GLU235
|
5.0
|
40.5
|
1.0
|
|
Calcium binding site 8 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 8 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca301
b:45.0
occ:1.00
|
O
|
D:HOH403
|
2.4
|
44.2
|
1.0
|
OE1
|
D:GLU67
|
2.4
|
42.3
|
1.0
|
O
|
B:PRO191
|
2.5
|
38.4
|
1.0
|
OE1
|
B:GLU193
|
2.6
|
36.6
|
1.0
|
O
|
D:PRO65
|
2.6
|
40.3
|
1.0
|
CD
|
D:GLU67
|
3.1
|
40.2
|
1.0
|
OE2
|
D:GLU67
|
3.1
|
43.0
|
1.0
|
HA
|
B:ASN192
|
3.1
|
42.4
|
1.0
|
CD
|
B:GLU193
|
3.4
|
40.2
|
1.0
|
OE2
|
B:GLU193
|
3.4
|
46.7
|
1.0
|
C
|
B:PRO191
|
3.5
|
37.6
|
1.0
|
HA
|
D:ASN66
|
3.5
|
47.1
|
1.0
|
H
|
D:GLU67
|
3.6
|
47.4
|
1.0
|
H
|
B:GLU193
|
3.6
|
42.8
|
1.0
|
HB2
|
B:PRO191
|
3.8
|
45.6
|
1.0
|
C
|
D:PRO65
|
3.8
|
38.2
|
1.0
|
O
|
B:HOH447
|
4.0
|
43.1
|
1.0
|
CA
|
B:ASN192
|
4.0
|
35.4
|
1.0
|
N
|
B:ASN192
|
4.2
|
37.5
|
1.0
|
HB2
|
D:PRO65
|
4.2
|
44.3
|
1.0
|
N
|
B:GLU193
|
4.3
|
35.6
|
1.0
|
N
|
D:GLU67
|
4.3
|
39.5
|
1.0
|
CA
|
D:ASN66
|
4.4
|
39.3
|
1.0
|
N
|
D:ASN66
|
4.6
|
42.8
|
1.0
|
CG
|
D:GLU67
|
4.6
|
40.3
|
1.0
|
CA
|
B:PRO191
|
4.6
|
36.8
|
1.0
|
CB
|
B:PRO191
|
4.6
|
38.0
|
1.0
|
C
|
B:ASN192
|
4.7
|
33.9
|
1.0
|
CG
|
B:GLU193
|
4.8
|
39.5
|
1.0
|
HB2
|
D:GLU67
|
4.8
|
45.4
|
1.0
|
HA
|
B:PRO191
|
4.9
|
44.1
|
1.0
|
CA
|
D:PRO65
|
4.9
|
36.5
|
1.0
|
C
|
D:ASN66
|
4.9
|
38.8
|
1.0
|
HG3
|
D:GLU67
|
4.9
|
48.3
|
1.0
|
H
|
B:ASN192
|
5.0
|
45.0
|
1.0
|
CB
|
D:PRO65
|
5.0
|
36.9
|
1.0
|
|
Calcium binding site 9 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 9 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:41.8
occ:1.00
|
O
|
D:HOH410
|
2.3
|
41.6
|
1.0
|
OE2
|
D:GLU151
|
2.4
|
33.0
|
1.0
|
O
|
D:PRO149
|
2.4
|
32.9
|
1.0
|
O
|
D:HOH501
|
2.4
|
46.0
|
1.0
|
OE1
|
B:GLU109
|
2.4
|
33.5
|
1.0
|
O
|
B:PRO107
|
2.5
|
35.8
|
1.0
|
O
|
B:HOH406
|
2.8
|
49.8
|
1.0
|
HA
|
D:ASN150
|
3.2
|
39.1
|
1.0
|
CD
|
B:GLU109
|
3.3
|
36.1
|
1.0
|
CD
|
D:GLU151
|
3.3
|
35.2
|
1.0
|
HA
|
B:ASN108
|
3.3
|
43.7
|
1.0
|
OE2
|
B:GLU109
|
3.4
|
40.3
|
1.0
|
H
|
B:GLU109
|
3.4
|
41.0
|
1.0
|
H
|
D:GLU151
|
3.5
|
37.9
|
1.0
|
OE1
|
D:GLU151
|
3.5
|
33.8
|
1.0
|
C
|
D:PRO149
|
3.5
|
34.5
|
1.0
|
C
|
B:PRO107
|
3.6
|
38.5
|
1.0
|
HB2
|
B:PRO107
|
3.9
|
42.2
|
1.0
|
HB2
|
D:PRO149
|
3.9
|
41.2
|
1.0
|
CA
|
D:ASN150
|
4.0
|
32.6
|
1.0
|
CA
|
B:ASN108
|
4.1
|
36.4
|
1.0
|
N
|
D:GLU151
|
4.2
|
31.6
|
1.0
|
N
|
D:ASN150
|
4.2
|
34.6
|
1.0
|
N
|
B:GLU109
|
4.2
|
34.2
|
1.0
|
N
|
B:ASN108
|
4.3
|
36.9
|
1.0
|
O
|
D:HOH521
|
4.5
|
40.6
|
1.0
|
CA
|
D:PRO149
|
4.6
|
31.9
|
1.0
|
C
|
D:ASN150
|
4.6
|
31.4
|
1.0
|
CA
|
B:PRO107
|
4.7
|
36.7
|
1.0
|
CB
|
B:PRO107
|
4.7
|
35.1
|
1.0
|
CG
|
D:GLU151
|
4.7
|
33.0
|
1.0
|
C
|
B:ASN108
|
4.7
|
31.9
|
1.0
|
O
|
D:HOH500
|
4.7
|
43.0
|
1.0
|
CG
|
B:GLU109
|
4.7
|
35.2
|
1.0
|
CB
|
D:PRO149
|
4.7
|
34.4
|
1.0
|
HB2
|
B:GLU109
|
4.8
|
43.3
|
1.0
|
HB2
|
D:GLU151
|
4.8
|
40.8
|
1.0
|
HA
|
D:PRO149
|
4.8
|
38.3
|
1.0
|
HA
|
B:PRO107
|
4.9
|
44.1
|
1.0
|
O
|
B:HOH473
|
4.9
|
37.6
|
1.0
|
HG3
|
D:GLU151
|
5.0
|
39.7
|
1.0
|
|
Calcium binding site 10 out
of 13 in 5mfg
Go back to
Calcium Binding Sites List in 5mfg
Calcium binding site 10 out
of 13 in the Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Designed Armadillo Repeat Protein YIIIM5AII in Complex with Peptide (Rr)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca303
b:40.0
occ:1.00
|
O
|
B:HOH410
|
2.3
|
45.5
|
1.0
|
O
|
D:HOH408
|
2.3
|
43.6
|
1.0
|
O
|
D:PRO191
|
2.5
|
33.6
|
1.0
|
OE2
|
B:GLU67
|
2.5
|
34.9
|
1.0
|
O
|
B:PRO65
|
2.6
|
35.3
|
1.0
|
OE1
|
D:GLU193
|
2.6
|
37.8
|
1.0
|
HA
|
D:ASN192
|
3.2
|
42.9
|
1.0
|
CD
|
B:GLU67
|
3.2
|
35.9
|
1.0
|
OE1
|
B:GLU67
|
3.2
|
39.1
|
1.0
|
HA
|
B:ASN66
|
3.3
|
41.1
|
1.0
|
CD
|
D:GLU193
|
3.5
|
34.5
|
1.0
|
H
|
B:GLU67
|
3.5
|
38.0
|
1.0
|
H
|
D:GLU193
|
3.5
|
38.3
|
1.0
|
C
|
D:PRO191
|
3.5
|
34.4
|
1.0
|
OE2
|
D:GLU193
|
3.6
|
33.6
|
1.0
|
C
|
B:PRO65
|
3.7
|
34.6
|
1.0
|
HB2
|
B:PRO65
|
3.8
|
48.7
|
1.0
|
HB2
|
D:PRO191
|
3.8
|
47.7
|
1.0
|
CA
|
D:ASN192
|
4.0
|
35.7
|
1.0
|
CA
|
B:ASN66
|
4.2
|
34.2
|
1.0
|
N
|
D:ASN192
|
4.2
|
33.9
|
1.0
|
N
|
B:GLU67
|
4.3
|
31.7
|
1.0
|
N
|
D:GLU193
|
4.3
|
31.9
|
1.0
|
N
|
B:ASN66
|
4.3
|
33.7
|
1.0
|
CA
|
D:PRO191
|
4.6
|
37.0
|
1.0
|
CB
|
D:PRO191
|
4.6
|
39.7
|
1.0
|
CB
|
B:PRO65
|
4.7
|
40.6
|
1.0
|
CG
|
B:GLU67
|
4.7
|
33.2
|
1.0
|
CA
|
B:PRO65
|
4.7
|
36.8
|
1.0
|
C
|
D:ASN192
|
4.7
|
30.5
|
1.0
|
C
|
B:ASN66
|
4.8
|
31.3
|
1.0
|
HB2
|
B:GLU67
|
4.9
|
40.0
|
1.0
|
CG
|
D:GLU193
|
4.9
|
30.8
|
1.0
|
HA
|
D:PRO191
|
4.9
|
44.4
|
1.0
|
HG2
|
B:PRO65
|
5.0
|
48.6
|
1.0
|
HA
|
B:PRO65
|
5.0
|
44.1
|
1.0
|
HG2
|
D:PRO191
|
5.0
|
52.5
|
1.0
|
H
|
D:ASN192
|
5.0
|
40.7
|
1.0
|
|
Reference:
S.Hansen,
P.Ernst,
S.L.B.Konig,
C.Reichen,
C.Ewald,
D.Nettels,
P.R.E.Mittl,
B.Schuler,
A.Pluckthun.
Curvature of Designed Armadillo Repeat Proteins Allows Modular Peptide Binding. J. Struct. Biol. V. 201 108 2018.
ISSN: ESSN 1095-8657
PubMed: 28864298
DOI: 10.1016/J.JSB.2017.08.009
Page generated: Mon Jul 15 08:06:18 2024
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