Calcium in PDB 5sve: Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide

All present enzymatic activity of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide:
3.1.3.16;

The structure of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide, PDB code: 5sve was solved by S.R.Sheftic, R.Page, W.Peti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.04 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.679, 106.046, 111.913, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.9

The structure of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Calcium atom in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide (pdb code 5sve). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide, PDB code: 5sve:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:57.8 occ:1.00 OD1 B:ASP64 2.3 55.5 1.0 OE1 B:GLU73 2.3 51.2 1.0 OD1 B:ASP62 2.3 57.4 1.0 O B:GLU68 2.3 49.4 1.0 OD1 B:ASN66 2.4 63.8 1.0 OE2 B:GLU73 2.4 49.1 1.0 CD B:GLU73 2.7 52.5 1.0 CG B:ASP64 3.0 59.7 1.0 OD2 B:ASP64 3.1 59.1 1.0 CG B:ASN66 3.2 60.0 1.0 O B:HOH307 3.5 52.0 1.0 C B:GLU68 3.5 52.4 1.0 CG B:ASP62 3.6 57.2 1.0 ND2 B:ASN66 3.6 56.8 1.0 OD2 B:ASP70 4.0 56.1 1.0 CG B:GLU73 4.2 47.6 1.0 N B:ASP70 4.2 52.0 1.0 CA B:VAL69 4.2 47.7 1.0 N B:VAL69 4.3 50.4 1.0 CA B:ASP62 4.4 50.8 1.0 CB B:ASP64 4.4 54.5 1.0 OD2 B:ASP62 4.4 60.4 1.0 CB B:ASP62 4.4 53.2 1.0 CB B:ASN66 4.5 58.8 1.0 N B:GLU68 4.5 56.6 1.0 N B:ASN66 4.5 60.2 1.0 CG B:ASP70 4.6 51.5 1.0 CA B:GLU68 4.6 54.2 1.0 N B:ASP64 4.6 50.4 1.0 C B:VAL69 4.7 54.0 1.0 N B:GLY65 4.8 62.3 1.0 C B:ASP62 4.9 52.4 1.0 N B:THR63 4.9 59.1 1.0 CB B:GLU73 5.0 49.8 1.0 CA B:ASP64 5.0 54.8 1.0

Calcium binding site 2 out of 4 in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:57.0 occ:1.00 O B:ARG146 2.3 54.4 1.0 OD1 B:ASP140 2.3 60.0 1.0 OD1 B:ASP142 2.3 65.8 1.0 OE1 B:GLU151 2.4 59.2 1.0 OD1 B:ASP144 2.4 63.9 1.0 OE2 B:GLU151 2.4 63.1 1.0 CD B:GLU151 2.7 60.9 1.0 CG B:ASP142 3.2 65.0 1.0 OD2 B:ASP142 3.4 68.2 1.0 CG B:ASP144 3.4 61.1 1.0 CG B:ASP140 3.5 59.1 1.0 C B:ARG146 3.5 51.8 1.0 OD2 B:ASP144 3.8 64.4 1.0 N B:SER148 4.2 54.8 1.0 OD2 B:ASP140 4.2 53.3 1.0 CG B:GLU151 4.2 55.7 1.0 CA B:ILE147 4.3 50.4 1.0 N B:ILE147 4.3 48.5 1.0 N B:ARG146 4.4 55.2 1.0 CA B:ASP140 4.5 54.4 1.0 N B:ASP144 4.5 57.8 1.0 CB B:ASP140 4.5 54.0 1.0 CA B:ARG146 4.5 52.8 1.0 CG B:ARG146 4.5 59.1 1.0 CB B:ASP142 4.6 57.8 1.0 OG B:SER148 4.6 50.9 1.0 N B:ASP142 4.7 56.5 1.0 C B:ILE147 4.7 51.0 1.0 N B:LYS141 4.7 58.0 1.0 N B:GLY143 4.7 64.5 1.0 CB B:ASP144 4.7 56.4 1.0 CB B:SER148 4.8 50.4 1.0 C B:ASP140 4.9 55.8 1.0

Calcium binding site 3 out of 4 in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:55.8 occ:1.00 OD1 B:ASP30 2.4 49.7 1.0 OD1 B:ASP32 2.4 56.0 1.0 OG B:SER34 2.4 58.3 1.0 O B:SER36 2.4 54.0 1.0 OE1 B:GLU41 2.4 56.7 1.0 OE2 B:GLU41 2.4 57.2 1.0 CD B:GLU41 2.7 55.7 1.0 CG B:ASP32 3.3 54.1 1.0 CG B:ASP30 3.6 56.6 1.0 OD2 B:ASP32 3.6 56.4 1.0 CB B:SER34 3.6 58.7 1.0 C B:SER36 3.6 55.5 1.0 N B:SER34 4.2 54.6 1.0 CG B:GLU41 4.2 57.1 1.0 OD2 B:ASP30 4.2 57.7 1.0 CA B:LEU37 4.4 55.6 1.0 CA B:SER34 4.4 61.4 1.0 N B:LEU37 4.5 54.9 1.0 N B:SER36 4.5 55.0 1.0 N B:SER38 4.5 50.3 1.0 CA B:ASP30 4.6 57.8 1.0 CA B:SER36 4.6 57.0 1.0 N B:ASP32 4.6 59.4 1.0 CB B:ASP30 4.6 56.6 1.0 CB B:ASP32 4.7 50.1 1.0 C B:LEU37 4.8 57.6 1.0 OG B:SER38 4.8 51.2 1.0 N B:LEU31 4.9 58.9 1.0 C B:ASP30 4.9 57.8 1.0 N B:GLY35 4.9 63.3 1.0 C B:SER34 4.9 63.4 1.0 N B:ASN33 5.0 56.3 1.0 OE2 B:GLU68 5.0 62.1 1.0

Calcium binding site 4 out of 4 in the Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Calcineurin in Complex with NFATC1 Lxvp Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:57.3 occ:1.00 OD1 B:ASP103 2.3 59.1 1.0 O B:TYR105 2.3 59.3 1.0 OD1 B:ASP101 2.3 65.6 1.0 OE2 B:GLU110 2.4 61.2 1.0 OE1 B:GLU110 2.4 58.9 1.0 OD1 B:ASP99 2.4 51.0 1.0 CD B:GLU110 2.7 58.8 1.0 CG B:ASP103 3.1 59.8 1.0 CG B:ASP101 3.2 59.8 1.0 OD2 B:ASP101 3.3 68.6 1.0 OD2 B:ASP103 3.3 64.0 1.0 C B:TYR105 3.4 52.1 1.0 CG B:ASP99 3.6 53.8 1.0 CG B:GLU110 4.2 58.3 1.0 N B:TYR105 4.2 61.0 1.0 CA B:TYR105 4.3 53.0 1.0 N B:ILE106 4.3 55.6 1.0 OD2 B:ASP99 4.3 51.6 1.0 CB B:ASP103 4.3 52.9 1.0 CA B:ILE106 4.4 54.5 1.0 N B:SER107 4.4 52.6 1.0 N B:ASP103 4.4 51.9 1.0 OG B:SER107 4.5 60.6 1.0 CB B:ASP99 4.5 53.2 1.0 CA B:ASP99 4.6 55.4 1.0 CB B:ASP101 4.6 57.8 1.0 N B:ASP101 4.7 50.1 1.0 CB B:TYR105 4.7 55.4 1.0 C B:ILE106 4.8 54.8 1.0 CA B:ASP103 4.9 52.5 1.0 N B:LYS102 4.9 57.5 1.0 C B:ASP99 4.9 53.3 1.0 N B:MET100 4.9 47.0 1.0 N B:GLY104 4.9 54.0 1.0 CB B:SER107 5.0 57.8 1.0

S.R.Sheftic, R.Page, W.Peti. Investigating the Human Calcineurin Interaction Network Using the Pi Lxvp Slim. Sci Rep V. 6 38920 2016.
ISSN: ESSN 2045-2322
PubMed: 27974827
DOI: 10.1038/SREP38920