Calcium in PDB 3sui: Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
Protein crystallography data
The structure of Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide, PDB code: 3sui
was solved by
S.-Y.Lau,
R.Gaudet,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.10 /
1.95
|
Space group
|
P 61 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
41.681,
41.681,
341.533,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.2 /
24.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
(pdb code 3sui). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide, PDB code: 3sui:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 3sui
Go back to
Calcium Binding Sites List in 3sui
Calcium binding site 1 out
of 4 in the Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:34.3
occ:1.00
|
O
|
A:THR26
|
2.3
|
35.1
|
1.0
|
OD1
|
A:ASP20
|
2.4
|
35.3
|
1.0
|
O
|
A:HOH195
|
2.4
|
17.4
|
1.0
|
OE2
|
A:GLU31
|
2.4
|
33.4
|
1.0
|
OD2
|
A:ASP24
|
2.4
|
40.4
|
1.0
|
OE1
|
A:GLU31
|
2.5
|
31.8
|
1.0
|
OD1
|
A:ASP22
|
2.5
|
42.1
|
1.0
|
CD
|
A:GLU31
|
2.8
|
31.6
|
1.0
|
CG
|
A:ASP24
|
3.4
|
44.6
|
1.0
|
CG
|
A:ASP20
|
3.5
|
38.2
|
1.0
|
CG
|
A:ASP22
|
3.5
|
47.3
|
1.0
|
C
|
A:THR26
|
3.5
|
33.6
|
1.0
|
OD2
|
A:ASP22
|
3.8
|
47.0
|
1.0
|
OD1
|
A:ASP24
|
3.8
|
44.3
|
1.0
|
OG1
|
A:THR26
|
4.0
|
44.8
|
1.0
|
CA
|
A:ASP20
|
4.1
|
35.5
|
1.0
|
N
|
A:THR26
|
4.2
|
37.1
|
1.0
|
CB
|
A:ASP20
|
4.2
|
35.4
|
1.0
|
CG
|
A:GLU31
|
4.3
|
31.3
|
1.0
|
N
|
A:ASP24
|
4.3
|
46.2
|
1.0
|
OD2
|
A:ASP20
|
4.3
|
36.7
|
1.0
|
CA
|
A:THR26
|
4.4
|
36.1
|
1.0
|
N
|
A:ILE27
|
4.4
|
30.3
|
1.0
|
C
|
A:ASP20
|
4.5
|
38.7
|
1.0
|
CA
|
A:ILE27
|
4.5
|
28.6
|
1.0
|
CB
|
A:ASP24
|
4.5
|
46.8
|
1.0
|
N
|
A:ASP22
|
4.6
|
46.3
|
1.0
|
N
|
A:GLY23
|
4.7
|
46.3
|
1.0
|
N
|
A:LYS21
|
4.8
|
40.4
|
1.0
|
CA
|
A:ASP24
|
4.8
|
46.3
|
1.0
|
CB
|
A:ASP22
|
4.8
|
48.1
|
1.0
|
N
|
A:GLY25
|
4.8
|
40.9
|
1.0
|
O
|
A:HOH207
|
4.8
|
25.8
|
1.0
|
CB
|
A:THR26
|
4.8
|
38.5
|
1.0
|
CG2
|
A:THR28
|
4.8
|
32.4
|
1.0
|
N
|
A:THR28
|
4.9
|
29.0
|
1.0
|
C
|
A:ASP24
|
5.0
|
44.2
|
1.0
|
|
Calcium binding site 2 out
of 4 in 3sui
Go back to
Calcium Binding Sites List in 3sui
Calcium binding site 2 out
of 4 in the Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:40.4
occ:1.00
|
O
|
A:HOH175
|
2.1
|
18.1
|
1.0
|
OD2
|
A:ASP56
|
2.2
|
44.1
|
1.0
|
O
|
A:THR62
|
2.4
|
33.9
|
1.0
|
OD2
|
A:ASP58
|
2.4
|
46.6
|
1.0
|
OD1
|
A:ASN60
|
2.4
|
46.3
|
1.0
|
OE1
|
A:GLU67
|
2.4
|
37.6
|
1.0
|
OE2
|
A:GLU67
|
2.7
|
39.5
|
1.0
|
CD
|
A:GLU67
|
2.9
|
38.3
|
1.0
|
CG
|
A:ASN60
|
3.4
|
48.8
|
1.0
|
CG
|
A:ASP58
|
3.4
|
51.6
|
1.0
|
CG
|
A:ASP56
|
3.5
|
45.6
|
1.0
|
C
|
A:THR62
|
3.6
|
35.6
|
1.0
|
OD1
|
A:ASP58
|
3.7
|
49.5
|
1.0
|
O
|
A:HOH219
|
3.8
|
24.9
|
1.0
|
ND2
|
A:ASN60
|
4.0
|
47.4
|
1.0
|
CA
|
A:ASP56
|
4.2
|
44.0
|
1.0
|
OD1
|
A:ASP56
|
4.3
|
45.4
|
1.0
|
N
|
A:THR62
|
4.3
|
39.5
|
1.0
|
N
|
A:ASN60
|
4.3
|
53.7
|
1.0
|
CG
|
A:GLU67
|
4.4
|
34.2
|
1.0
|
CB
|
A:ASP56
|
4.4
|
44.1
|
1.0
|
CA
|
A:ILE63
|
4.4
|
33.0
|
1.0
|
N
|
A:ASP64
|
4.4
|
33.4
|
1.0
|
N
|
A:ASP58
|
4.4
|
52.2
|
1.0
|
N
|
A:ILE63
|
4.4
|
33.3
|
1.0
|
CB
|
A:ASN60
|
4.5
|
52.7
|
1.0
|
C
|
A:ASP56
|
4.5
|
46.4
|
1.0
|
OG1
|
A:THR62
|
4.6
|
36.0
|
1.0
|
CA
|
A:THR62
|
4.6
|
35.7
|
1.0
|
O
|
A:HOH203
|
4.6
|
22.4
|
1.0
|
N
|
A:ALA57
|
4.6
|
47.2
|
1.0
|
N
|
A:GLY61
|
4.7
|
46.4
|
1.0
|
CB
|
A:ASP58
|
4.7
|
55.4
|
1.0
|
CA
|
A:ASN60
|
4.8
|
52.5
|
1.0
|
N
|
A:GLY59
|
4.8
|
56.2
|
1.0
|
C
|
A:ILE63
|
4.8
|
33.8
|
1.0
|
CG
|
A:ASP64
|
4.9
|
39.7
|
1.0
|
OD2
|
A:ASP64
|
4.9
|
44.7
|
1.0
|
C
|
A:ASN60
|
4.9
|
50.0
|
1.0
|
CA
|
A:ASP58
|
5.0
|
55.9
|
1.0
|
|
Calcium binding site 3 out
of 4 in 3sui
Go back to
Calcium Binding Sites List in 3sui
Calcium binding site 3 out
of 4 in the Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:29.0
occ:1.00
|
O
|
A:HOH166
|
2.2
|
18.2
|
1.0
|
O
|
A:TYR99
|
2.2
|
28.9
|
1.0
|
OD2
|
A:ASP93
|
2.3
|
29.3
|
1.0
|
OD1
|
A:ASN97
|
2.4
|
28.6
|
1.0
|
OD1
|
A:ASP95
|
2.4
|
33.1
|
1.0
|
OE2
|
A:GLU104
|
2.4
|
28.6
|
1.0
|
OE1
|
A:GLU104
|
2.5
|
32.3
|
1.0
|
CD
|
A:GLU104
|
2.8
|
29.4
|
1.0
|
CG
|
A:ASP95
|
3.4
|
35.2
|
1.0
|
CG
|
A:ASN97
|
3.4
|
29.4
|
1.0
|
C
|
A:TYR99
|
3.4
|
28.4
|
1.0
|
CG
|
A:ASP93
|
3.5
|
28.2
|
1.0
|
OD2
|
A:ASP95
|
3.8
|
33.6
|
1.0
|
ND2
|
A:ASN97
|
4.1
|
28.8
|
1.0
|
N
|
A:TYR99
|
4.1
|
27.2
|
1.0
|
N
|
A:ASN97
|
4.1
|
28.8
|
1.0
|
O
|
A:HOH194
|
4.3
|
16.3
|
1.0
|
CG
|
A:GLU104
|
4.3
|
31.2
|
1.0
|
CA
|
A:TYR99
|
4.3
|
27.9
|
1.0
|
N
|
A:ASP95
|
4.3
|
33.7
|
1.0
|
CA
|
A:ASP93
|
4.3
|
30.9
|
1.0
|
N
|
A:ILE100
|
4.3
|
28.3
|
1.0
|
OD1
|
A:ASP93
|
4.3
|
27.4
|
1.0
|
CB
|
A:ASP93
|
4.4
|
30.2
|
1.0
|
CB
|
A:ASN97
|
4.4
|
29.7
|
1.0
|
C
|
A:ASP93
|
4.5
|
31.8
|
1.0
|
CA
|
A:ILE100
|
4.5
|
29.1
|
1.0
|
N
|
A:GLY96
|
4.6
|
30.7
|
1.0
|
CB
|
A:ASP95
|
4.6
|
35.4
|
1.0
|
N
|
A:SER101
|
4.6
|
28.4
|
1.0
|
N
|
A:LYS94
|
4.6
|
33.4
|
1.0
|
CA
|
A:ASN97
|
4.7
|
28.7
|
1.0
|
O
|
A:HOH154
|
4.7
|
23.7
|
1.0
|
N
|
A:GLY98
|
4.7
|
26.4
|
1.0
|
CB
|
A:TYR99
|
4.7
|
27.5
|
1.0
|
CA
|
A:ASP95
|
4.8
|
34.2
|
1.0
|
C
|
A:ASP95
|
4.9
|
32.9
|
1.0
|
O
|
A:ASP93
|
4.9
|
31.8
|
1.0
|
C
|
A:ASN97
|
4.9
|
26.6
|
1.0
|
|
Calcium binding site 4 out
of 4 in 3sui
Go back to
Calcium Binding Sites List in 3sui
Calcium binding site 4 out
of 4 in the Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of CA2+-Calmodulin in Complex with A TRPV1 C- Terminal Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:27.7
occ:1.00
|
OD2
|
A:ASP129
|
2.2
|
27.0
|
1.0
|
OD2
|
A:ASP133
|
2.3
|
26.2
|
1.0
|
O
|
A:GLN135
|
2.3
|
27.2
|
1.0
|
OD1
|
A:ASP131
|
2.4
|
31.2
|
1.0
|
OE1
|
A:GLU140
|
2.4
|
27.8
|
1.0
|
O
|
A:HOH159
|
2.5
|
13.6
|
1.0
|
OE2
|
A:GLU140
|
2.6
|
29.0
|
1.0
|
CD
|
A:GLU140
|
2.9
|
30.1
|
1.0
|
CG
|
A:ASP133
|
3.3
|
30.7
|
1.0
|
CG
|
A:ASP131
|
3.3
|
32.6
|
1.0
|
CG
|
A:ASP129
|
3.3
|
28.4
|
1.0
|
C
|
A:GLN135
|
3.5
|
27.1
|
1.0
|
OD2
|
A:ASP131
|
3.6
|
34.1
|
1.0
|
OD1
|
A:ASP133
|
3.7
|
30.7
|
1.0
|
N
|
A:GLN135
|
4.1
|
27.6
|
1.0
|
OD1
|
A:ASP129
|
4.1
|
30.1
|
1.0
|
N
|
A:ASP133
|
4.2
|
28.9
|
1.0
|
CB
|
A:ASP129
|
4.2
|
28.7
|
1.0
|
N
|
A:ASP131
|
4.2
|
30.0
|
1.0
|
CA
|
A:ASP129
|
4.2
|
28.9
|
1.0
|
CA
|
A:GLN135
|
4.4
|
27.4
|
1.0
|
N
|
A:VAL136
|
4.4
|
27.0
|
1.0
|
CB
|
A:ASP133
|
4.4
|
29.2
|
1.0
|
N
|
A:ILE130
|
4.4
|
29.1
|
1.0
|
N
|
A:GLY132
|
4.4
|
29.8
|
1.0
|
CG
|
A:GLU140
|
4.4
|
26.3
|
1.0
|
CA
|
A:VAL136
|
4.4
|
26.7
|
1.0
|
N
|
A:ASN137
|
4.5
|
27.6
|
1.0
|
CB
|
A:ASP131
|
4.5
|
32.0
|
1.0
|
N
|
A:GLY134
|
4.6
|
29.7
|
1.0
|
CA
|
A:ASP133
|
4.7
|
30.6
|
1.0
|
CA
|
A:ASP131
|
4.7
|
31.4
|
1.0
|
C
|
A:ASP129
|
4.7
|
30.1
|
1.0
|
CB
|
A:GLN135
|
4.9
|
28.1
|
1.0
|
C
|
A:ASP131
|
4.9
|
31.0
|
1.0
|
C
|
A:ASP133
|
4.9
|
30.5
|
1.0
|
C
|
A:VAL136
|
5.0
|
27.2
|
1.0
|
|
Reference:
S.Y.Lau,
E.Procko,
R.Gaudet.
Distinct Properties of CA2+-Calmodulin Binding to N- and C-Terminal Regulatory Regions of the TRPV1 Channel. J.Gen.Physiol. V. 140 541 2012.
ISSN: ISSN 0022-1295
PubMed: 23109716
DOI: 10.1085/JGP.201210810
Page generated: Sat Jul 13 19:24:43 2024
|