Calcium in PDB 1cff: uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump

All present enzymatic activity of uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump:
3.6.1.38;

The binding sites of Calcium atom in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump (pdb code 1cff). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump, PDB code: 1cff:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:0.0 occ:1.00 HB3 A:ASP24 2.3 0.0 1.0 O A:THR26 2.5 0.0 1.0 OE1 A:GLU31 2.5 0.0 1.0 OD2 A:ASP20 2.5 0.0 1.0 OE2 A:GLU31 2.5 0.0 1.0 OD2 A:ASP22 2.5 0.0 1.0 OD2 A:ASP24 2.6 0.0 1.0 HG1 A:THR26 2.8 0.0 1.0 CD A:GLU31 2.8 0.0 1.0 CB A:ASP24 3.0 0.0 1.0 CG A:ASP24 3.2 0.0 1.0 HB2 A:ASP24 3.3 0.0 1.0 CG A:ASP20 3.4 0.0 1.0 H A:THR26 3.4 0.0 1.0 OD1 A:ASP20 3.5 0.0 1.0 CG A:ASP22 3.6 0.0 1.0 C A:THR26 3.7 0.0 1.0 OG1 A:THR26 3.7 0.0 1.0 OD1 A:ASP22 3.9 0.0 1.0 HB A:THR26 4.2 0.0 1.0 N A:THR26 4.2 0.0 1.0 CA A:THR26 4.3 0.0 1.0 CB A:THR26 4.3 0.0 1.0 CG A:GLU31 4.3 0.0 1.0 CA A:ASP24 4.4 0.0 1.0 HA A:ILE27 4.4 0.0 1.0 H A:ASP24 4.4 0.0 1.0 OD1 A:ASP24 4.4 0.0 1.0 HG1 A:THR28 4.5 0.0 1.0 HG3 A:GLU31 4.5 0.0 1.0 OG1 A:THR28 4.5 0.0 1.0 H A:THR28 4.6 0.0 1.0 H A:GLY25 4.6 0.0 1.0 HB3 A:GLU31 4.7 0.0 1.0 CB A:ASP20 4.8 0.0 1.0 N A:ILE27 4.8 0.0 1.0 N A:ASP24 4.8 0.0 1.0 C A:ASP24 4.8 0.0 1.0 CB A:ASP22 4.9 0.0 1.0 HG2 A:GLU31 4.9 0.0 1.0 N A:GLY25 4.9 0.0 1.0 HB3 A:ASP20 4.9 0.0 1.0

Calcium binding site 2 out of 4 in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:0.0 occ:1.00 H A:ASN60 2.5 0.0 1.0 OD1 A:ASP56 2.5 0.0 1.0 OD1 A:ASN60 2.5 0.0 1.0 OE2 A:GLU67 2.5 0.0 1.0 O A:THR62 2.5 0.0 1.0 OD1 A:ASP58 2.5 0.0 1.0 OE1 A:GLU67 2.7 0.0 1.0 CD A:GLU67 2.9 0.0 1.0 HA2 A:GLY59 3.0 0.0 1.0 HA A:ASP56 3.0 0.0 1.0 H A:GLY61 3.1 0.0 1.0 H A:GLY59 3.3 0.0 1.0 N A:ASN60 3.4 0.0 1.0 C A:THR62 3.5 0.0 1.0 H A:THR62 3.5 0.0 1.0 N A:GLY59 3.6 0.0 1.0 CA A:GLY59 3.6 0.0 1.0 CG A:ASP56 3.7 0.0 1.0 CG A:ASP58 3.7 0.0 1.0 CG A:ASN60 3.7 0.0 1.0 N A:THR62 3.9 0.0 1.0 HA A:ILE63 4.0 0.0 1.0 CA A:ASP56 4.0 0.0 1.0 C A:GLY59 4.0 0.0 1.0 N A:GLY61 4.1 0.0 1.0 CA A:THR62 4.2 0.0 1.0 H A:ASP58 4.2 0.0 1.0 CB A:ASP56 4.3 0.0 1.0 OD2 A:ASP58 4.3 0.0 1.0 CG A:GLU67 4.3 0.0 1.0 HA A:THR62 4.3 0.0 1.0 HB3 A:ASP56 4.4 0.0 1.0 CA A:ASN60 4.5 0.0 1.0 C A:ASP58 4.5 0.0 1.0 N A:ILE63 4.5 0.0 1.0 HB3 A:GLU67 4.5 0.0 1.0 HD22 A:ASN60 4.5 0.0 1.0 ND2 A:ASN60 4.6 0.0 1.0 HA3 A:GLY59 4.6 0.0 1.0 CB A:ASN60 4.6 0.0 1.0 C A:GLY61 4.6 0.0 1.0 H A:ASP64 4.7 0.0 1.0 HB2 A:GLU67 4.7 0.0 1.0 OD2 A:ASP56 4.7 0.0 1.0 CA A:ILE63 4.7 0.0 1.0 C A:ASP56 4.8 0.0 1.0 HG3 A:GLU67 4.8 0.0 1.0 CB A:GLU67 4.8 0.0 1.0 C A:ASN60 4.8 0.0 1.0 CB A:ASP58 4.9 0.0 1.0 N A:ASP58 4.9 0.0 1.0 OD2 A:ASP64 4.9 0.0 1.0 HB3 A:ASN60 4.9 0.0 1.0 HG2 A:GLU67 5.0 0.0 1.0 CA A:GLY61 5.0 0.0 1.0 H A:ALA57 5.0 0.0 1.0 HD13 A:ILE63 5.0 0.0 1.0 O A:VAL55 5.0 0.0 1.0 N A:ASP56 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:0.0 occ:1.00 O A:TYR99 2.5 0.0 1.0 OD1 A:ASN97 2.5 0.0 1.0 OD2 A:ASP95 2.5 0.0 1.0 OD1 A:ASP93 2.6 0.0 1.0 OE1 A:GLU104 2.6 0.0 1.0 OE2 A:GLU104 2.7 0.0 1.0 CD A:GLU104 2.7 0.0 1.0 H A:GLY98 2.8 0.0 1.0 H A:ASN97 2.9 0.0 1.0 O A:ASP93 2.9 0.0 1.0 H A:GLY96 3.1 0.0 1.0 HA A:ASP93 3.2 0.0 1.0 HB2 A:ASN97 3.2 0.0 1.0 CG A:ASN97 3.5 0.0 1.0 H A:TYR99 3.5 0.0 1.0 C A:TYR99 3.7 0.0 1.0 HG2 A:GLU104 3.7 0.0 1.0 C A:ASP93 3.7 0.0 1.0 CG A:ASP95 3.7 0.0 1.0 HB2 A:ASP95 3.7 0.0 1.0 N A:ASN97 3.7 0.0 1.0 CG A:GLU104 3.7 0.0 1.0 N A:GLY98 3.8 0.0 1.0 CB A:ASN97 3.8 0.0 1.0 CG A:ASP93 3.8 0.0 1.0 HA A:ILE100 3.8 0.0 1.0 H A:ASP95 3.8 0.0 1.0 CA A:ASP93 3.9 0.0 1.0 N A:TYR99 3.9 0.0 1.0 HG3 A:GLU104 4.0 0.0 1.0 N A:GLY96 4.1 0.0 1.0 CB A:ASP95 4.2 0.0 1.0 CA A:ASN97 4.2 0.0 1.0 N A:ASP95 4.4 0.0 1.0 CA A:TYR99 4.4 0.0 1.0 CB A:ASP93 4.5 0.0 1.0 C A:ASN97 4.5 0.0 1.0 C A:GLY98 4.6 0.0 1.0 N A:ILE100 4.6 0.0 1.0 HG13 A:ILE100 4.6 0.0 1.0 O A:PHE92 4.6 0.0 1.0 CA A:ILE100 4.7 0.0 1.0 CA A:GLY98 4.7 0.0 1.0 CA A:ASP95 4.7 0.0 1.0 C A:GLY96 4.7 0.0 1.0 ND2 A:ASN97 4.7 0.0 1.0 OD1 A:ASP95 4.7 0.0 1.0 OD2 A:ASP93 4.7 0.0 1.0 HB3 A:ASN97 4.8 0.0 1.0 HE21 A:GLN135 4.8 0.0 1.0 H A:SER101 4.8 0.0 1.0 HG12 A:ILE100 4.8 0.0 1.0 N A:LYS94 4.8 0.0 1.0 CA A:GLY96 4.8 0.0 1.0 HB2 A:TYR99 4.9 0.0 1.0 C A:ASP95 4.9 0.0 1.0 HA2 A:GLY96 5.0 0.0 1.0 HD22 A:ASN97 5.0 0.0 1.0 HA2 A:GLY98 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+-Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:0.0 occ:1.00 OD1 A:ASP129 2.5 0.0 1.0 H A:ASN137 2.5 0.0 1.0 OE1 A:GLU140 2.5 0.0 1.0 OE2 A:GLU140 2.5 0.0 1.0 OD2 A:ASP131 2.5 0.0 1.0 OD1 A:ASP133 2.6 0.0 1.0 O A:GLN135 2.6 0.0 1.0 HB2 A:ASP131 2.7 0.0 1.0 CD A:GLU140 2.9 0.0 1.0 HA A:VAL136 2.9 0.0 1.0 CG A:ASP131 3.4 0.0 1.0 H A:GLY132 3.4 0.0 1.0 H A:ASP133 3.4 0.0 1.0 N A:ASN137 3.5 0.0 1.0 CG A:ASP129 3.5 0.0 1.0 CB A:ASP131 3.5 0.0 1.0 C A:GLN135 3.6 0.0 1.0 H A:ASP131 3.8 0.0 1.0 CG A:ASP133 3.8 0.0 1.0 OD2 A:ASP129 3.8 0.0 1.0 CA A:VAL136 3.8 0.0 1.0 HB3 A:ASN137 3.8 0.0 1.0 HB2 A:ASN137 4.0 0.0 1.0 C A:VAL136 4.1 0.0 1.0 N A:GLY132 4.1 0.0 1.0 N A:VAL136 4.1 0.0 1.0 H A:GLN135 4.2 0.0 1.0 CB A:ASN137 4.3 0.0 1.0 HB3 A:ASP131 4.3 0.0 1.0 OE2 A:GLU139 4.3 0.0 1.0 N A:ASP131 4.3 0.0 1.0 CA A:ASP131 4.4 0.0 1.0 CG A:GLU140 4.4 0.0 1.0 N A:ASP133 4.4 0.0 1.0 HA A:ASP129 4.5 0.0 1.0 CA A:ASN137 4.5 0.0 1.0 OD2 A:ASP133 4.5 0.0 1.0 OD1 A:ASP131 4.5 0.0 1.0 HB3 A:GLU140 4.6 0.0 1.0 HB2 A:ASP133 4.6 0.0 1.0 H A:GLY134 4.6 0.0 1.0 C A:ASP131 4.7 0.0 1.0 HG12 A:VAL136 4.7 0.0 1.0 CB A:ASP133 4.7 0.0 1.0 CB A:ASP129 4.7 0.0 1.0 HG11 A:VAL136 4.8 0.0 1.0 CA A:GLN135 4.8 0.0 1.0 HG3 A:GLU140 4.9 0.0 1.0 N A:GLN135 4.9 0.0 1.0 HG2 A:GLU140 4.9 0.0 1.0 HA2 A:GLY132 4.9 0.0 1.0 HB3 A:GLN135 4.9 0.0 1.0 CA A:ASP129 5.0 0.0 1.0

B.Elshorst, M.Hennig, H.Forsterling, A.Diener, M.Maurer, P.Schulte, H.Schwalbe, C.Griesinger, J.Krebs, H.Schmid, T.Vorherr, E.Carafoli. uc(Nmr) Solution Structure of A Complex of Calmodulin with A Binding Peptide of the CA2+ Pump. Biochemistry V. 38 12320 1999.
ISSN: ISSN 0006-2960
PubMed: 10493800
DOI: 10.1021/BI9908235