Calcium in PDB 6sz5: Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
Protein crystallography data
The structure of Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5, PDB code: 6sz5
was solved by
E.Millana,
A.Mattevi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.21 /
2.23
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
24.759,
60.840,
102.444,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.9 /
29.4
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
(pdb code 6sz5). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5, PDB code: 6sz5:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6sz5
Go back to
Calcium Binding Sites List in 6sz5
Calcium binding site 1 out
of 4 in the Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:32.1
occ:1.00
|
OD1
|
A:ASP134
|
2.2
|
35.4
|
1.0
|
OD1
|
A:ASP130
|
2.3
|
38.4
|
1.0
|
O
|
A:GLN136
|
2.3
|
31.2
|
1.0
|
OD1
|
A:ASP132
|
2.4
|
33.8
|
1.0
|
OE2
|
A:GLU141
|
2.5
|
29.6
|
1.0
|
OE1
|
A:GLU141
|
2.5
|
33.5
|
1.0
|
CD
|
A:GLU141
|
2.8
|
32.5
|
1.0
|
CG
|
A:ASP134
|
3.2
|
35.9
|
1.0
|
CG
|
A:ASP132
|
3.3
|
39.0
|
1.0
|
CG
|
A:ASP130
|
3.3
|
37.9
|
1.0
|
C
|
A:GLN136
|
3.5
|
29.1
|
1.0
|
OD2
|
A:ASP132
|
3.7
|
44.5
|
1.0
|
OD2
|
A:ASP134
|
3.7
|
39.9
|
1.0
|
N
|
A:ASP134
|
4.1
|
32.8
|
1.0
|
CB
|
A:ASP130
|
4.1
|
35.6
|
1.0
|
CA
|
A:ASP130
|
4.1
|
35.5
|
1.0
|
N
|
A:GLN136
|
4.1
|
30.4
|
1.0
|
OD2
|
A:ASP130
|
4.2
|
35.0
|
1.0
|
CB
|
A:ASP134
|
4.3
|
36.0
|
1.0
|
CG
|
A:GLU141
|
4.3
|
32.2
|
1.0
|
N
|
A:ASN138
|
4.3
|
28.4
|
1.0
|
N
|
A:ASP132
|
4.4
|
35.0
|
1.0
|
CA
|
A:GLN136
|
4.4
|
30.9
|
1.0
|
N
|
A:VAL137
|
4.5
|
27.1
|
1.0
|
CA
|
A:VAL137
|
4.5
|
28.9
|
1.0
|
N
|
A:ILE131
|
4.5
|
35.8
|
1.0
|
N
|
A:GLY133
|
4.6
|
37.6
|
1.0
|
N
|
A:GLY135
|
4.6
|
34.0
|
1.0
|
C
|
A:ASP130
|
4.6
|
37.2
|
1.0
|
CB
|
A:ASP132
|
4.6
|
38.4
|
1.0
|
CA
|
A:ASP134
|
4.6
|
35.4
|
1.0
|
ND2
|
A:ASN138
|
4.7
|
27.4
|
1.0
|
CG
|
A:ASN138
|
4.8
|
30.8
|
1.0
|
C
|
A:VAL137
|
4.9
|
28.1
|
1.0
|
CA
|
A:ASP132
|
4.9
|
36.1
|
1.0
|
C
|
A:ASP134
|
4.9
|
35.6
|
1.0
|
C
|
A:ASP132
|
4.9
|
36.0
|
1.0
|
CB
|
A:GLN136
|
5.0
|
32.7
|
1.0
|
CB
|
A:ASN138
|
5.0
|
28.4
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6sz5
Go back to
Calcium Binding Sites List in 6sz5
Calcium binding site 2 out
of 4 in the Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:35.0
occ:1.00
|
OD1
|
A:ASP96
|
2.2
|
34.4
|
1.0
|
O
|
A:TYR100
|
2.3
|
33.3
|
1.0
|
OD1
|
A:ASP94
|
2.3
|
31.9
|
1.0
|
OD1
|
A:ASN98
|
2.3
|
32.7
|
1.0
|
OE2
|
A:GLU105
|
2.4
|
35.8
|
1.0
|
OE1
|
A:GLU105
|
2.6
|
33.4
|
1.0
|
CD
|
A:GLU105
|
2.8
|
33.2
|
1.0
|
CG
|
A:ASP96
|
3.3
|
35.6
|
1.0
|
CG
|
A:ASN98
|
3.4
|
30.5
|
1.0
|
CG
|
A:ASP94
|
3.4
|
29.8
|
1.0
|
C
|
A:TYR100
|
3.4
|
27.8
|
1.0
|
OD2
|
A:ASP96
|
3.8
|
34.5
|
1.0
|
ND2
|
A:ASN98
|
4.1
|
27.7
|
1.0
|
N
|
A:ASN98
|
4.2
|
30.9
|
1.0
|
CA
|
A:ASP94
|
4.2
|
34.4
|
1.0
|
OD2
|
A:ASP94
|
4.2
|
32.7
|
1.0
|
N
|
A:TYR100
|
4.2
|
29.2
|
1.0
|
CB
|
A:ASP94
|
4.3
|
32.0
|
1.0
|
N
|
A:ASP96
|
4.3
|
38.9
|
1.0
|
CG
|
A:GLU105
|
4.3
|
30.3
|
1.0
|
N
|
A:ILE101
|
4.3
|
26.9
|
1.0
|
CA
|
A:TYR100
|
4.4
|
31.0
|
1.0
|
C
|
A:ASP94
|
4.4
|
35.9
|
1.0
|
N
|
A:GLY97
|
4.4
|
33.5
|
1.0
|
CA
|
A:ILE101
|
4.4
|
26.9
|
1.0
|
N
|
A:SER102
|
4.5
|
29.4
|
1.0
|
CB
|
A:ASN98
|
4.5
|
30.8
|
1.0
|
CB
|
A:ASP96
|
4.5
|
33.4
|
1.0
|
N
|
A:LYS95
|
4.6
|
38.7
|
1.0
|
N
|
A:GLY99
|
4.8
|
27.4
|
1.0
|
CA
|
A:ASP96
|
4.8
|
34.5
|
1.0
|
CA
|
A:ASN98
|
4.8
|
30.2
|
1.0
|
O
|
A:ASP94
|
4.8
|
35.7
|
1.0
|
C
|
A:ASP96
|
4.9
|
34.7
|
1.0
|
CB
|
A:TYR100
|
4.9
|
31.5
|
1.0
|
C
|
A:ILE101
|
4.9
|
29.1
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6sz5
Go back to
Calcium Binding Sites List in 6sz5
Calcium binding site 3 out
of 4 in the Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:47.0
occ:1.00
|
OD2
|
A:ASP59
|
2.3
|
63.7
|
1.0
|
OD1
|
A:ASP57
|
2.4
|
42.6
|
1.0
|
O
|
A:THR63
|
2.4
|
40.0
|
1.0
|
OE1
|
A:GLU68
|
2.5
|
37.8
|
1.0
|
OD1
|
A:ASN61
|
2.6
|
40.9
|
1.0
|
OE2
|
A:GLU68
|
2.7
|
46.6
|
1.0
|
CD
|
A:GLU68
|
2.9
|
41.2
|
1.0
|
CG
|
A:ASP59
|
3.1
|
59.7
|
1.0
|
CB
|
A:ASP59
|
3.2
|
53.7
|
1.0
|
CG
|
A:ASN61
|
3.3
|
45.8
|
1.0
|
ND2
|
A:ASN61
|
3.4
|
42.8
|
1.0
|
C
|
A:THR63
|
3.5
|
38.5
|
1.0
|
CG
|
A:ASP57
|
3.5
|
43.4
|
1.0
|
OG1
|
A:THR63
|
4.1
|
51.1
|
1.0
|
N
|
A:ASP59
|
4.2
|
55.9
|
1.0
|
OD2
|
A:ASP57
|
4.3
|
45.9
|
1.0
|
OD1
|
A:ASP59
|
4.3
|
69.7
|
1.0
|
N
|
A:ILE64
|
4.3
|
36.9
|
1.0
|
N
|
A:THR63
|
4.3
|
41.2
|
1.0
|
CA
|
A:ASP59
|
4.3
|
53.9
|
1.0
|
CA
|
A:ILE64
|
4.4
|
39.3
|
1.0
|
CA
|
A:THR63
|
4.4
|
43.2
|
1.0
|
N
|
A:ASP65
|
4.4
|
33.8
|
1.0
|
CG
|
A:GLU68
|
4.5
|
40.4
|
1.0
|
CB
|
A:ASN61
|
4.5
|
47.0
|
1.0
|
CA
|
A:ASP57
|
4.6
|
46.5
|
1.0
|
CB
|
A:ASP57
|
4.6
|
47.5
|
1.0
|
N
|
A:ASN61
|
4.6
|
56.7
|
1.0
|
OD1
|
A:ASP65
|
4.7
|
40.9
|
1.0
|
C
|
A:ILE64
|
4.8
|
36.4
|
1.0
|
CG
|
A:ASP65
|
4.9
|
41.2
|
1.0
|
CB
|
A:THR63
|
4.9
|
48.0
|
1.0
|
N
|
A:GLY60
|
4.9
|
50.6
|
1.0
|
N
|
A:ALA58
|
4.9
|
52.6
|
1.0
|
O
|
A:HOH628
|
4.9
|
40.8
|
1.0
|
C
|
A:ASP57
|
5.0
|
50.2
|
1.0
|
CA
|
A:ASN61
|
5.0
|
49.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6sz5
Go back to
Calcium Binding Sites List in 6sz5
Calcium binding site 4 out
of 4 in the Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Human Calmodulin Bound to A Peptide of Human Nadph Oxidase 5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:29.8
occ:1.00
|
O
|
A:THR27
|
2.3
|
35.4
|
1.0
|
OD1
|
A:ASP25
|
2.3
|
38.6
|
1.0
|
OD1
|
A:ASP21
|
2.4
|
39.3
|
1.0
|
OD1
|
A:ASP23
|
2.5
|
31.6
|
1.0
|
OE1
|
A:GLU32
|
2.6
|
29.8
|
1.0
|
OE2
|
A:GLU32
|
2.8
|
28.1
|
1.0
|
CD
|
A:GLU32
|
3.1
|
29.9
|
1.0
|
CG
|
A:ASP25
|
3.3
|
42.6
|
1.0
|
CG
|
A:ASP21
|
3.4
|
35.5
|
1.0
|
C
|
A:THR27
|
3.5
|
34.8
|
1.0
|
CG
|
A:ASP23
|
3.6
|
31.0
|
1.0
|
OG1
|
A:THR27
|
4.0
|
33.6
|
1.0
|
N
|
A:THR27
|
4.1
|
36.6
|
1.0
|
OD2
|
A:ASP23
|
4.1
|
29.9
|
1.0
|
CA
|
A:ASP21
|
4.1
|
38.5
|
1.0
|
OD2
|
A:ASP25
|
4.1
|
42.2
|
1.0
|
CB
|
A:ASP25
|
4.2
|
39.7
|
1.0
|
CB
|
A:ASP21
|
4.2
|
38.7
|
1.0
|
N
|
A:ASP25
|
4.2
|
38.6
|
1.0
|
OD2
|
A:ASP21
|
4.3
|
39.7
|
1.0
|
CA
|
A:THR27
|
4.3
|
33.7
|
1.0
|
N
|
A:ILE28
|
4.4
|
32.5
|
1.0
|
C
|
A:ASP21
|
4.4
|
39.6
|
1.0
|
CG
|
A:GLU32
|
4.6
|
28.3
|
1.0
|
CA
|
A:ILE28
|
4.6
|
32.9
|
1.0
|
N
|
A:ASP23
|
4.6
|
36.2
|
1.0
|
CA
|
A:ASP25
|
4.7
|
37.6
|
1.0
|
N
|
A:GLY26
|
4.7
|
37.7
|
1.0
|
N
|
A:LYS22
|
4.7
|
41.3
|
1.0
|
N
|
A:GLY24
|
4.7
|
36.2
|
1.0
|
CB
|
A:ASP23
|
4.8
|
33.9
|
1.0
|
CB
|
A:THR27
|
4.8
|
34.3
|
1.0
|
O
|
A:ASP21
|
4.9
|
41.0
|
1.0
|
CG2
|
A:THR29
|
4.9
|
28.1
|
1.0
|
C
|
A:ASP25
|
5.0
|
39.7
|
1.0
|
|
Reference:
E.Millana-Fananas,
S.Todesca,
A.Siccorello,
L.Masino,
P.Pompach,
F.Magnani,
A.Pastore,
A.Mattevi.
On the Mechanism of Calcium-Dependent Activation of Nadph Oxidase 5 (NOX5). Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31785178
DOI: 10.1111/FEBS.15160
Page generated: Tue Jul 16 15:01:29 2024
|