Atomistry » Calcium » PDB 6p8w-6ptk » 6paw
Atomistry »
  Calcium »
    PDB 6p8w-6ptk »
      6paw »

Calcium in PDB 6paw: Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex

Enzymatic activity of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex

All present enzymatic activity of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex, PDB code: 6paw was solved by B.Simon, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 131.65 / 2.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 89.440, 95.880, 263.300, 90.00, 90.00, 90.00
R / Rfree (%) 24.9 / 28.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex (pdb code 6paw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex, PDB code: 6paw:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 1 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


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 DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca201

b:59.7
occ:1.00
 OD1 D:ASP25 2.6 53.6 1.0
OD1 D:ASP23 2.6 59.0 1.0
OE1 D:GLU32 2.7 50.8 1.0
OE2 D:GLU32 2.9 65.2 1.0
CD D:GLU32 3.0 54.8 1.0
OD1 D:ASP21 3.1 58.9 1.0
CG D:ASP25 3.1 53.9 1.0
OD2 D:ASP25 3.2 52.1 1.0
OD2 D:ASP23 3.2 59.8 1.0
CG D:ASP23 3.2 62.2 1.0
O D:THR27 3.2 45.8 1.0
C D:THR27 4.1 50.5 1.0
CG2 D:THR29 4.2 54.9 1.0
CG D:GLU32 4.2 53.2 1.0
N D:THR29 4.3 36.7 1.0
CG D:ASP21 4.3 55.4 1.0
OG1 D:THR27 4.4 54.3 1.0
CB D:ASP25 4.5 53.2 1.0
CA D:ILE28 4.5 52.1 1.0
CB D:ASP23 4.6 67.4 1.0
N D:ILE28 4.7 51.8 1.0
CB D:THR29 4.8 54.5 1.0
C D:ILE28 4.9 48.6 1.0
N D:ASP25 4.9 53.5 1.0
OD2 D:ASP21 5.0 63.7 1.0

Calcium binding site 2 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 2 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


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 DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca202

b:58.9
occ:1.00
 OE2 D:GLU68 2.4 71.2 1.0
OD1 D:ASN61 2.4 63.0 1.0
OD1 D:ASP59 2.5 73.3 1.0
O D:THR63 2.7 60.0 1.0
OE1 D:GLU68 2.7 72.3 1.0
CD D:GLU68 2.8 73.9 1.0
OD1 D:ASP57 3.0 69.3 1.0
CG D:ASN61 3.1 64.9 1.0
CG D:ASP65 3.3 79.8 1.0
ND2 D:ASN61 3.3 71.8 1.0
CG D:ASP59 3.4 62.4 1.0
N D:ASP65 3.4 69.7 1.0
OD2 D:ASP65 3.5 94.9 1.0
OD2 D:ASP59 3.5 60.8 1.0
OD1 D:ASP65 3.5 82.0 1.0
CB D:ASP65 3.7 73.6 1.0
C D:THR63 3.7 55.0 1.0
C D:ILE64 4.1 61.2 1.0
CA D:ILE64 4.1 63.9 1.0
CG D:GLU68 4.1 74.9 1.0
CG D:ASP57 4.1 65.1 1.0
CA D:ASP65 4.2 76.4 1.0
N D:ILE64 4.3 62.7 1.0
CB D:ASN61 4.5 54.8 1.0
N D:ASN61 4.7 60.8 1.0
N D:ASP59 4.8 72.2 1.0
CB D:ASP59 4.8 61.3 1.0
OG1 D:THR63 4.8 62.4 1.0
OD2 D:ASP57 4.8 61.4 1.0
CA D:ASP57 4.9 66.0 1.0
CB D:GLU68 4.9 67.6 1.0
N D:THR63 4.9 56.5 1.0
CA D:THR63 4.9 42.5 1.0
N D:ALA58 4.9 69.6 1.0

Calcium binding site 3 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 3 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


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 DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca203

b:52.9
occ:1.00
 OE2 D:GLU105 2.4 50.9 1.0
OD1 D:ASN98 2.4 43.1 1.0
OD1 D:ASP96 2.5 59.8 1.0
O D:TYR100 2.5 42.6 1.0
CD D:GLU105 2.8 59.4 1.0
CG D:ASN98 2.8 50.9 1.0
OE1 D:GLU105 2.9 59.3 1.0
ND2 D:ASN98 2.9 55.6 1.0
OD2 D:ASP96 2.9 61.0 1.0
CG D:ASP96 3.0 59.2 1.0
OD1 D:ASP94 3.2 50.2 1.0
C D:TYR100 3.7 43.5 1.0
CB D:ASN98 4.1 52.8 1.0
CG D:GLU105 4.2 61.0 1.0
N D:SER102 4.3 51.7 1.0
OG D:SER102 4.4 49.8 1.0
CG D:ASP94 4.4 47.8 1.0
N D:TYR100 4.5 46.7 1.0
CB D:ASP96 4.5 50.3 1.0
CA D:TYR100 4.6 42.6 1.0
N D:ILE101 4.6 42.5 1.0
N D:ASN98 4.7 44.0 1.0
CA D:ILE101 4.7 37.3 1.0
OE1 D:GLN136 4.7 42.8 1.0
CB D:SER102 4.7 51.7 1.0
N D:ASP96 4.9 47.2 1.0
CB D:TYR100 4.9 42.7 1.0
CA D:ASN98 5.0 49.5 1.0
C D:ILE101 5.0 39.4 1.0

Calcium binding site 4 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 4 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


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 DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca204

b:31.0
occ:1.00
 OE2 D:GLU141 2.3 45.7 1.0
OD1 D:ASP134 2.4 54.7 1.0
O D:GLN136 2.5 43.8 1.0
OD1 D:ASP130 2.6 37.6 1.0
OD2 D:ASP132 2.6 41.7 1.0
OE1 D:GLU141 2.8 52.2 1.0
OD1 D:ASP132 2.8 51.5 1.0
CD D:GLU141 2.8 46.0 1.0
CG D:ASP132 3.0 46.0 1.0
OD1 D:ASN138 3.0 55.4 1.0
CG D:ASP134 3.3 53.9 1.0
C D:GLN136 3.5 40.1 1.0
CG D:ASP130 3.7 42.0 1.0
OD2 D:ASP134 3.7 53.1 1.0
CG D:ASN138 3.7 46.1 1.0
N D:ASN138 4.0 41.5 1.0
ND2 D:ASN138 4.2 41.4 1.0
CG D:GLU141 4.3 36.7 1.0
N D:ASP134 4.3 38.4 1.0
OD2 D:ASP130 4.3 50.8 1.0
N D:VAL137 4.3 36.0 1.0
N D:GLN136 4.3 35.8 1.0
CA D:VAL137 4.4 33.9 1.0
CB D:ASP134 4.4 50.7 1.0
CB D:ASP132 4.5 41.4 1.0
N D:GLY133 4.5 39.9 1.0
N D:ASP132 4.5 31.0 1.0
CA D:GLN136 4.5 37.3 1.0
CA D:ASP130 4.5 44.1 1.0
N D:ILE131 4.6 46.5 1.0
CB D:ASP130 4.6 34.1 1.0
C D:VAL137 4.6 35.4 1.0
CB D:ASN138 4.7 33.8 1.0
CA D:ASP134 4.9 40.5 1.0
CA D:ASP132 4.9 40.8 1.0
N D:GLY135 4.9 43.5 1.0
CA D:ASN138 5.0 34.4 1.0

Calcium binding site 5 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 5 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca201

b:95.5
occ:1.00
 O G:TYR100 2.6 0.8 1.0
ND2 G:ASN98 2.6 99.5 1.0
OD2 G:ASP96 2.7 0.6 1.0
OD1 G:ASN98 2.8 99.9 1.0
OE2 G:GLU105 3.0 99.1 1.0
CG G:ASN98 3.0 99.7 1.0
OE1 G:GLN136 3.6 77.2 1.0
CG G:ASP96 3.6 0.9 1.0
OD1 G:ASP96 3.7 0.1 1.0
C G:TYR100 3.8 99.0 1.0
CB G:SER102 4.1 0.3 1.0
OD1 G:ASP94 4.1 94.3 1.0
CD G:GLU105 4.1 98.6 1.0
N G:SER102 4.2 0.8 1.0
CB G:TYR100 4.4 85.0 1.0
CB G:ASN98 4.4 94.8 1.0
CD G:GLN136 4.5 90.3 1.0
CA G:TYR100 4.5 92.3 1.0
N G:TYR100 4.6 93.7 1.0
CA G:SER102 4.8 0.7 1.0
N G:ILE101 4.8 93.3 1.0
CG G:GLU105 4.8 0.7 1.0
C G:ILE101 4.9 94.1 1.0
CA G:ILE101 4.9 86.1 1.0
OE1 G:GLU105 5.0 94.3 1.0

Calcium binding site 6 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 6 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca202

b:90.4
occ:1.00
 OE1 G:GLU141 2.5 83.7 1.0
OD1 G:ASP130 2.5 0.3 1.0
O G:GLN136 2.6 90.2 1.0
OD1 G:ASP134 2.8 0.5 1.0
OD2 G:ASP132 2.8 0.3 1.0
OD1 G:ASP132 2.9 0.4 1.0
OE2 G:GLU141 3.0 96.8 1.0
CD G:GLU141 3.0 87.1 1.0
CG G:ASP132 3.1 0.4 1.0
CG G:ASP130 3.4 0.4 1.0
C G:GLN136 3.6 87.0 1.0
ND2 G:ASN138 3.7 91.3 1.0
CG G:ASP134 3.8 0.1 1.0
CA G:VAL137 3.8 89.7 1.0
N G:ASN138 3.8 96.1 1.0
CG G:ASN138 4.0 96.8 1.0
OD2 G:ASP130 4.0 98.3 1.0
N G:VAL137 4.1 79.9 1.0
OD1 G:ASN138 4.2 0.8 1.0
C G:VAL137 4.2 95.5 1.0
OD2 G:ASP134 4.3 90.4 1.0
CA G:ASP130 4.3 0.5 1.0
N G:ASP132 4.3 0.7 1.0
N G:ILE131 4.3 99.7 1.0
CB G:ASP130 4.4 0.1 1.0
N G:GLY133 4.4 0.6 1.0
CG G:GLU141 4.4 87.5 1.0
CB G:ASP132 4.5 99.4 1.0
N G:ASP134 4.6 0.1 1.0
CB G:ASN138 4.8 76.1 1.0
CA G:GLN136 4.8 97.0 1.0
C G:ASP130 4.8 0.2 1.0
N G:GLN136 4.8 0.3 1.0
CA G:ASP132 4.9 0.7 1.0
CA G:ASN138 4.9 79.6 1.0
CB G:ASP134 4.9 0.2 1.0

Calcium binding site 7 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 7 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca201

b:0.1
occ:1.00
 OD1 H:ASP134 2.4 0.7 1.0
OD2 H:ASP134 2.5 0.9 1.0
OE1 H:GLU141 2.5 0.0 1.0
OE2 H:GLU141 2.5 0.2 1.0
O H:GLN136 2.5 0.8 1.0
OD1 H:ASP132 2.6 0.4 1.0
CD H:GLU141 2.7 0.3 1.0
OD1 H:ASP130 2.7 0.9 1.0
CG H:ASP134 2.8 1.0 1.0
OD1 H:ASN138 3.3 0.9 1.0
CG H:ASP132 3.4 0.3 1.0
OD2 H:ASP132 3.4 0.9 1.0
C H:GLN136 3.7 0.7 1.0
CG H:ASP130 3.8 0.1 1.0
CG H:GLU141 4.0 96.8 1.0
CG H:ASN138 4.1 0.2 1.0
CB H:ASP134 4.2 0.3 1.0
N H:ASN138 4.4 0.0 1.0
CA H:VAL137 4.4 0.7 1.0
OD2 H:ASP130 4.5 0.1 1.0
N H:GLN136 4.5 1.0 1.0
N H:VAL137 4.5 0.6 1.0
N H:ASP134 4.6 0.6 1.0
C H:VAL137 4.7 0.2 1.0
CA H:GLN136 4.8 0.6 1.0
N H:ASP132 4.8 0.8 1.0
CA H:ASP130 4.8 0.6 1.0
CB H:ASN138 4.8 0.3 1.0
CB H:ASP132 4.8 0.7 1.0
CB H:ASP130 4.8 0.9 1.0
N H:ILE131 4.8 1.0 1.0
CA H:ASP134 5.0 0.2 1.0
ND2 H:ASN138 5.0 0.1 1.0
N H:GLY135 5.0 0.4 1.0

Calcium binding site 8 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 8 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca201

b:0.3
occ:1.00
 OE2 C:GLU105 2.3 86.7 1.0
O C:TYR100 2.4 95.9 1.0
OD1 C:ASP96 2.4 98.5 1.0
OD1 C:ASN98 2.4 88.6 1.0
OD2 C:ASP96 2.5 0.4 1.0
OD1 C:ASP94 2.7 84.9 1.0
CG C:ASP96 2.8 0.3 1.0
CD C:GLU105 3.0 88.2 1.0
OE1 C:GLU105 3.1 91.1 1.0
CG C:ASN98 3.2 80.5 1.0
ND2 C:ASN98 3.4 82.3 1.0
C C:TYR100 3.6 91.4 1.0
CG C:ASP94 3.9 85.7 1.0
CB C:ASP96 4.2 90.8 1.0
N C:TYR100 4.3 83.7 1.0
CG C:GLU105 4.3 84.9 1.0
N C:SER102 4.4 85.1 1.0
CA C:TYR100 4.5 84.4 1.0
CB C:ASN98 4.5 82.6 1.0
N C:ILE101 4.5 89.4 1.0
OD2 C:ASP94 4.6 85.1 1.0
CA C:ILE101 4.6 88.2 1.0
OG C:SER102 4.6 93.1 1.0
N C:ASN98 4.6 93.2 1.0
N C:ASP96 4.7 95.6 1.0
CB C:TYR100 4.9 79.8 1.0
CB C:SER102 4.9 85.4 1.0
N C:GLY97 4.9 88.2 1.0
C C:ILE101 5.0 88.5 1.0
CA C:ASP96 5.0 90.9 1.0

Calcium binding site 9 out of 9 in 6paw

Go back to Calcium Binding Sites List in 6paw
Calcium binding site 9 out of 9 in the Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of DAPK2 S308A Calcium/Calmodulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca202

b:89.1
occ:1.00
 OD1 C:ASP134 2.4 90.6 1.0
OE2 C:GLU141 2.4 63.9 1.0
OD2 C:ASP132 2.5 93.1 1.0
OD1 C:ASP132 2.6 92.7 1.0
CG C:ASP134 2.9 99.3 1.0
CG C:ASP132 2.9 92.2 1.0
OD2 C:ASP134 3.0 96.5 1.0
OD1 C:ASP130 3.2 80.9 1.0
O C:GLN136 3.2 77.3 1.0
CD C:GLU141 3.5 68.2 1.0
C C:GLN136 3.9 85.7 1.0
OE1 C:GLU141 4.1 73.5 1.0
CB C:ASP134 4.1 91.6 1.0
N C:ASN138 4.1 78.7 1.0
CG C:ASP130 4.1 78.4 1.0
CE2 C:TYR100 4.2 82.6 1.0
CB C:ASP132 4.4 91.1 1.0
CD2 C:TYR100 4.4 77.0 1.0
CB C:ASN138 4.5 69.4 1.0
N C:VAL137 4.5 84.8 1.0
CG C:GLU141 4.6 73.6 1.0
N C:ASP134 4.6 88.9 1.0
CA C:VAL137 4.6 82.9 1.0
OD2 C:ASP130 4.6 78.2 1.0
N C:GLN136 4.7 93.5 1.0
C C:VAL137 4.7 77.8 1.0
CA C:GLN136 4.8 89.2 1.0
CA C:ASP134 4.9 92.0 1.0
CA C:ASN138 4.9 72.9 1.0

Reference:

B.Simon, M.Wilmanns. Crystal Structure of Death-Associated Protein Kinase 2 in Complex with Calcium Calmodulin To Be Published.
Page generated: Tue Jul 16 12:50:42 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