Atomistry » Calcium » PDB 2w3k-2whk » 2wel
Atomistry »
  Calcium »
    PDB 2w3k-2whk »
      2wel »

Calcium in PDB 2wel: Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin

Enzymatic activity of Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin

All present enzymatic activity of Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin:
2.7.11.17;

Protein crystallography data

The structure of Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin, PDB code: 2wel was solved by A.C.W.Pike, P.Rellos, E.Salah, N.Burgess-Brown, T.Keates, J.Muniz, R.Sethi, A.Roos, P.Filippakopoulos, F.Von Delft, A.Edwards, J.Weigelt, C.H.Arrowsmith, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.34 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.260, 68.850, 121.980, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin (pdb code 2wel). 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 SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin, PDB code: 2wel:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2wel

Go back to Calcium Binding Sites List in 2wel
Calcium binding site 1 out of 4 in the Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin


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 SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca600

b:30.7
occ:1.00
 OD1 D:ASP21 2.2 14.5 1.0
OD2 D:ASP23 2.3 18.0 1.0
O D:THR27 2.3 16.4 1.0
O D:HOH2019 2.4 16.6 1.0
OD1 D:ASP25 2.5 12.6 1.0
OE1 D:GLU32 2.6 13.7 1.0
OE2 D:GLU32 2.6 17.7 1.0
CD D:GLU32 2.9 10.7 1.0
CG D:ASP23 3.3 26.7 1.0
CG D:ASP25 3.3 29.3 1.0
CG D:ASP21 3.4 13.6 1.0
C D:THR27 3.5 16.7 1.0
OD1 D:ASP23 3.7 32.4 1.0
OD2 D:ASP25 3.7 25.1 1.0
OG1 D:THR27 4.1 24.8 1.0
CA D:ASP21 4.2 15.0 1.0
OD2 D:ASP21 4.2 23.7 1.0
CB D:ASP21 4.2 12.6 1.0
N D:THR27 4.2 15.8 1.0
N D:ASP25 4.3 18.8 1.0
N D:ASP23 4.3 18.0 1.0
CG D:GLU32 4.4 10.5 1.0
CA D:THR27 4.4 15.8 1.0
N D:ILE28 4.4 15.8 1.0
CB D:ASP25 4.4 19.1 1.0
C D:ASP21 4.5 19.5 1.0
CA D:ILE28 4.5 11.5 1.0
CB D:ASP23 4.6 18.0 1.0
O D:HOH2030 4.6 23.1 1.0
N D:LYS22 4.6 19.0 1.0
N D:GLY24 4.6 20.1 1.0
CG2 D:THR29 4.8 13.4 1.0
CA D:ASP25 4.8 18.1 1.0
CA D:ASP23 4.8 19.5 1.0
N D:THR29 4.8 12.8 1.0
N D:GLY26 4.9 14.9 1.0
C D:ASP23 4.9 19.0 1.0
CB D:THR27 4.9 22.5 1.0
O D:ASP21 5.0 20.9 1.0

Calcium binding site 2 out of 4 in 2wel

Go back to Calcium Binding Sites List in 2wel
Calcium binding site 2 out of 4 in the Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin


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 SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca601

b:39.0
occ:1.00
 O D:HOH2053 2.1 40.1 1.0
OD1 D:ASP57 2.2 14.0 1.0
OD1 D:ASN61 2.4 13.0 1.0
O D:THR63 2.4 13.3 1.0
OE1 D:GLU68 2.5 13.2 1.0
OD1 D:ASP59 2.5 11.1 1.0
OE2 D:GLU68 2.7 15.5 1.0
CD D:GLU68 3.0 19.7 1.0
CG D:ASN61 3.2 26.2 1.0
CG D:ASP57 3.3 20.0 1.0
CG D:ASP59 3.4 28.7 1.0
ND2 D:ASN61 3.6 12.8 1.0
C D:THR63 3.6 17.7 1.0
OD2 D:ASP59 3.7 27.2 1.0
OD2 D:ASP57 3.9 15.6 1.0
N D:THR63 4.3 16.8 1.0
CB D:ASP57 4.3 14.0 1.0
N D:ASN61 4.3 21.3 1.0
CB D:ASN61 4.4 14.6 1.0
CA D:ASP57 4.4 16.1 1.0
CA D:ILE64 4.5 9.3 1.0
CG D:GLU68 4.5 11.6 1.0
N D:ILE64 4.5 11.7 1.0
OD1 D:ASP65 4.5 33.6 1.0
CA D:THR63 4.5 18.5 1.0
N D:ASP65 4.6 13.0 1.0
N D:ASP59 4.6 25.3 1.0
OG1 D:THR63 4.7 20.3 1.0
N D:GLY60 4.7 23.0 1.0
CB D:ASP59 4.7 25.0 1.0
C D:ASP57 4.8 15.7 1.0
CA D:ASN61 4.8 17.4 1.0
N D:GLY62 4.8 22.6 1.0
CG D:ASP65 4.9 21.5 1.0
O D:HOH2056 4.9 16.6 1.0
N D:ALA58 4.9 21.2 1.0
C D:ASN61 5.0 21.2 1.0
C D:ILE64 5.0 12.1 1.0

Calcium binding site 3 out of 4 in 2wel

Go back to Calcium Binding Sites List in 2wel
Calcium binding site 3 out of 4 in the Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin


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 SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca602

b:18.4
occ:1.00
 O D:TYR100 2.3 11.8 1.0
OD1 D:ASP94 2.3 10.7 1.0
OD1 D:ASP96 2.4 16.4 1.0
OD1 D:ASN98 2.4 11.6 1.0
OE2 D:GLU105 2.5 16.3 1.0
OE1 D:GLU105 2.5 10.4 1.0
O D:HOH2104 2.5 9.9 1.0
CD D:GLU105 2.8 13.6 1.0
CG D:ASP96 3.3 26.8 1.0
CG D:ASN98 3.4 12.6 1.0
CG D:ASP94 3.4 11.3 1.0
C D:TYR100 3.5 11.1 1.0
OD2 D:ASP96 3.7 24.3 1.0
ND2 D:ASN98 3.9 7.0 1.0
O D:HOH2062 4.1 28.9 1.0
OD2 D:ASP94 4.2 7.9 1.0
N D:TYR100 4.2 9.2 1.0
CA D:ASP94 4.3 9.9 1.0
CA D:TYR100 4.3 11.9 1.0
N D:ASP96 4.3 14.8 1.0
CB D:ASP94 4.3 13.9 1.0
CG D:GLU105 4.3 8.7 1.0
N D:ASN98 4.4 9.7 1.0
N D:ILE101 4.4 10.4 1.0
CA D:ILE101 4.5 8.4 1.0
C D:ASP94 4.5 10.3 1.0
CB D:ASN98 4.6 9.0 1.0
CB D:ASP96 4.6 12.8 1.0
CB D:TYR100 4.6 10.6 1.0
N D:SER102 4.6 11.5 1.0
OE1 D:GLN136 4.6 13.5 1.0
N D:GLY97 4.7 18.3 1.0
N D:LYS95 4.7 16.7 1.0
CA D:ASP96 4.8 17.7 1.0
CA D:ASN98 4.9 13.0 1.0
C D:ASP96 4.9 16.6 1.0
O D:HOH2071 4.9 29.1 1.0
O D:ASP94 5.0 11.7 1.0

Calcium binding site 4 out of 4 in 2wel

Go back to Calcium Binding Sites List in 2wel
Calcium binding site 4 out of 4 in the Crystal Structure of SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin


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 SU6656-Bound Calcium/Calmodulin-Dependent Protein Kinase II Delta in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca603

b:22.3
occ:1.00
 OD1 D:ASP130 2.3 11.2 1.0
O D:GLN136 2.4 12.6 1.0
OD1 D:ASP132 2.4 15.6 1.0
O D:HOH2102 2.4 15.4 1.0
OE2 D:GLU141 2.4 12.8 1.0
OD1 D:ASP134 2.4 11.2 1.0
OE1 D:GLU141 2.5 10.5 1.0
CD D:GLU141 2.9 13.5 1.0
CG D:ASP134 3.3 29.1 1.0
CG D:ASP130 3.3 14.1 1.0
CG D:ASP132 3.4 23.9 1.0
C D:GLN136 3.5 8.5 1.0
OD2 D:ASP134 3.7 23.3 1.0
OD2 D:ASP132 3.8 25.3 1.0
OD2 D:ASP130 4.1 15.1 1.0
CA D:ASP130 4.1 4.7 1.0
CB D:ASP130 4.1 14.1 1.0
N D:ASP134 4.2 15.0 1.0
N D:GLN136 4.3 11.9 1.0
CG D:GLU141 4.4 10.0 1.0
N D:ASP132 4.4 15.3 1.0
N D:GLY133 4.4 19.8 1.0
CA D:VAL137 4.4 7.4 1.0
N D:VAL137 4.4 11.1 1.0
CB D:ASP134 4.4 16.6 1.0
N D:ASN138 4.4 12.4 1.0
CA D:GLN136 4.5 11.0 1.0
C D:ASP130 4.5 12.3 1.0
O D:HOH2100 4.6 34.3 1.0
CB D:ASP132 4.6 18.1 1.0
N D:ILE131 4.6 14.7 1.0
CA D:ASP134 4.8 16.1 1.0
CA D:ASP132 4.8 19.4 1.0
C D:ASP132 4.8 21.9 1.0
C D:VAL137 4.9 12.6 1.0
N D:GLY135 4.9 9.1 1.0
CG D:ASN138 4.9 14.7 1.0
ND2 D:ASN138 4.9 17.2 1.0

Reference:

P.Rellos, A.C.W.Pike, F.H.Niesen, E.Salah, W.H.Lee, F.Von Delft, S.Knapp. Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Plos Biol. V. 8 426 2010.
ISSN: ISSN 1544-9173
PubMed: 20668654
DOI: 10.1371/JOURNAL.PBIO.1000426
Page generated: Fri Jul 12 18:36:32 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy