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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

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