Calcium in PDB 2m3s: Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant

The binding sites of Calcium atom in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant (pdb code 2m3s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant, PDB code: 2m3s:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 OD1 A:ASP25 2.2 0.0 1.0 OD1 A:ASP27 2.3 0.0 1.0 OE1 A:GLU34 2.3 0.0 1.0 OD1 A:ASP23 2.3 0.0 1.0 OE2 A:GLU34 2.5 0.0 1.0 O A:THR29 2.6 0.0 1.0 OD2 A:ASP25 2.6 0.0 1.0 OD2 A:ASP23 2.6 0.0 1.0 OD2 A:ASP27 2.7 0.0 1.0 CG A:ASP27 2.7 0.0 1.0 CD A:GLU34 2.7 0.0 1.0 CG A:ASP23 2.8 0.0 1.0 CG A:ASP25 2.8 0.0 1.0 H A:ASP27 3.1 0.0 1.0 H A:THR29 3.3 0.0 1.0 HA A:ILE30 3.6 0.0 1.0 C A:THR29 3.6 0.0 1.0 HG1 A:THR29 3.9 0.0 1.0 H A:GLY28 3.9 0.0 1.0 H A:THR31 4.0 0.0 1.0 H A:ASP25 4.0 0.0 1.0 HG23 A:THR31 4.0 0.0 1.0 N A:ASP27 4.0 0.0 1.0 CB A:ASP27 4.0 0.0 1.0 HA A:ASP23 4.0 0.0 1.0 N A:THR29 4.1 0.0 1.0 CB A:ASP23 4.2 0.0 1.0 CG A:GLU34 4.3 0.0 1.0 CB A:ASP25 4.3 0.0 1.0 H A:GLY26 4.3 0.0 1.0 HB3 A:ASP27 4.4 0.0 1.0 N A:ILE30 4.5 0.0 1.0 CA A:THR29 4.5 0.0 1.0 CA A:ILE30 4.5 0.0 1.0 CA A:ASP27 4.5 0.0 1.0 N A:GLY28 4.5 0.0 1.0 CA A:ASP23 4.5 0.0 1.0 N A:ASP25 4.6 0.0 1.0 HG2 A:GLU34 4.6 0.0 1.0 N A:GLY26 4.6 0.0 1.0 HB2 A:ASP23 4.7 0.0 1.0 OG1 A:THR29 4.7 0.0 1.0 HB2 A:GLU34 4.7 0.0 1.0 HG1 A:THR31 4.8 0.0 1.0 HB3 A:ASP25 4.8 0.0 1.0 C A:ASP23 4.8 0.0 1.0 HB2 A:ASP27 4.8 0.0 1.0 HG3 A:GLU34 4.8 0.0 1.0 HB3 A:ASP23 4.8 0.0 1.0 HB2 A:ASP25 4.8 0.0 1.0 H A:LYS24 4.9 0.0 1.0 N A:THR31 4.9 0.0 1.0 CA A:ASP25 4.9 0.0 1.0 C A:ASP27 4.9 0.0 1.0 N A:LYS24 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:0.0 occ:1.00 OE2 A:GLU70 2.3 0.0 1.0 OD1 A:ASP59 2.3 0.0 1.0 OD1 A:ASN63 2.3 0.0 1.0 OE1 A:GLU70 2.3 0.0 1.0 OD2 A:ASP61 2.3 0.0 1.0 O A:THR65 2.3 0.0 1.0 CD A:GLU70 2.6 0.0 1.0 CG A:ASP59 2.6 0.0 1.0 OD1 A:ASP61 2.6 0.0 1.0 OD2 A:ASP59 2.6 0.0 1.0 CG A:ASP61 2.8 0.0 1.0 H A:ASN63 3.3 0.0 1.0 CG A:ASN63 3.3 0.0 1.0 HA A:ASP59 3.4 0.0 1.0 H A:THR65 3.4 0.0 1.0 C A:THR65 3.6 0.0 1.0 HD22 A:ASN63 3.8 0.0 1.0 CB A:ASP59 3.8 0.0 1.0 HA A:ILE66 3.9 0.0 1.0 CG A:GLU70 4.0 0.0 1.0 ND2 A:ASN63 4.0 0.0 1.0 H A:ASP61 4.1 0.0 1.0 CA A:ASP59 4.1 0.0 1.0 H A:GLY64 4.1 0.0 1.0 H A:ASP67 4.1 0.0 1.0 H A:GLY62 4.2 0.0 1.0 N A:ASN63 4.2 0.0 1.0 N A:THR65 4.2 0.0 1.0 HB2 A:ASP59 4.3 0.0 1.0 HG2 A:GLU70 4.3 0.0 1.0 CB A:ASP61 4.3 0.0 1.0 CB A:ASN63 4.4 0.0 1.0 HG3 A:GLU70 4.4 0.0 1.0 HG21 A:ILE55 4.5 0.0 1.0 HB3 A:ASN63 4.5 0.0 1.0 N A:ILE66 4.5 0.0 1.0 HB2 A:ASP67 4.5 0.0 1.0 CA A:THR65 4.5 0.0 1.0 CA A:ILE66 4.6 0.0 1.0 HB3 A:ASP59 4.6 0.0 1.0 N A:GLY62 4.6 0.0 1.0 N A:ASP67 4.7 0.0 1.0 N A:GLY64 4.7 0.0 1.0 HB2 A:ASP61 4.7 0.0 1.0 C A:ASP59 4.8 0.0 1.0 CA A:ASN63 4.8 0.0 1.0 N A:ASP61 4.8 0.0 1.0 HB A:THR65 4.8 0.0 1.0 HB3 A:ASP61 4.9 0.0 1.0 C A:ILE66 4.9 0.0 1.0 HD21 A:ASN63 4.9 0.0 1.0 HB3 A:ASP67 4.9 0.0 1.0 CA A:ASP61 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:0.0 occ:1.00 OE1 A:GLU107 2.3 0.0 1.0 OD1 A:ASP96 2.3 0.0 1.0 OD1 A:ASN100 2.3 0.0 1.0 OD2 A:ASP98 2.3 0.0 1.0 OE2 A:GLU107 2.3 0.0 1.0 O A:TYR102 2.4 0.0 1.0 CD A:GLU107 2.5 0.0 1.0 OD2 A:ASP96 2.6 0.0 1.0 OD1 A:ASP98 2.6 0.0 1.0 CG A:ASP96 2.6 0.0 1.0 CG A:ASP98 2.8 0.0 1.0 CG A:ASN100 3.3 0.0 1.0 H A:ASN100 3.3 0.0 1.0 H A:TYR102 3.5 0.0 1.0 HA A:ASP96 3.5 0.0 1.0 C A:TYR102 3.6 0.0 1.0 HD22 A:ASN100 3.6 0.0 1.0 HA A:ILE103 3.7 0.0 1.0 ND2 A:ASN100 3.8 0.0 1.0 CB A:ASP96 3.9 0.0 1.0 CG A:GLU107 3.9 0.0 1.0 HG2 A:GLU107 4.0 0.0 1.0 H A:GLY99 4.1 0.0 1.0 H A:GLY101 4.2 0.0 1.0 CA A:ASP96 4.2 0.0 1.0 N A:ASN100 4.2 0.0 1.0 N A:TYR102 4.3 0.0 1.0 HB2 A:ASP96 4.3 0.0 1.0 CB A:ASP98 4.3 0.0 1.0 CB A:ASN100 4.4 0.0 1.0 H A:ASP98 4.4 0.0 1.0 N A:ILE103 4.5 0.0 1.0 CA A:TYR102 4.5 0.0 1.0 HD12 A:ILE103 4.5 0.0 1.0 HG3 A:GLU107 4.5 0.0 1.0 CA A:ILE103 4.5 0.0 1.0 HB3 A:ASN100 4.5 0.0 1.0 N A:GLY99 4.5 0.0 1.0 HB3 A:GLU107 4.7 0.0 1.0 H A:SER104 4.7 0.0 1.0 HB3 A:ASP96 4.7 0.0 1.0 HB2 A:ASP98 4.7 0.0 1.0 HD1 A:TYR102 4.7 0.0 1.0 HD21 A:ASN100 4.7 0.0 1.0 N A:GLY101 4.7 0.0 1.0 C A:ASP96 4.7 0.0 1.0 CA A:ASN100 4.7 0.0 1.0 C A:ASP98 4.9 0.0 1.0 CD1 A:TYR102 4.9 0.0 1.0 N A:ASP98 4.9 0.0 1.0 HB3 A:ASP98 4.9 0.0 1.0 CB A:GLU107 4.9 0.0 1.0 CA A:ASP98 4.9 0.0 1.0 HG13 A:ILE103 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin, I85L, F92E, H107I, L112R, A128T, M144R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:0.0 occ:1.00 OD1 A:ASP136 2.3 0.0 1.0 OD1 A:ASP134 2.3 0.0 1.0 OD1 A:ASP132 2.3 0.0 1.0 OE2 A:GLU143 2.5 0.0 1.0 OD2 A:ASP136 2.6 0.0 1.0 OD2 A:ASP132 2.6 0.0 1.0 OD2 A:ASP134 2.6 0.0 1.0 OE1 A:GLU143 2.6 0.0 1.0 O A:GLN138 2.6 0.0 1.0 CG A:ASP132 2.7 0.0 1.0 CD A:GLU143 2.7 0.0 1.0 CG A:ASP136 2.7 0.0 1.0 CG A:ASP134 2.8 0.0 1.0 H A:ASP136 3.5 0.0 1.0 H A:GLN138 3.7 0.0 1.0 C A:GLN138 3.8 0.0 1.0 HB2 A:GLN138 3.8 0.0 1.0 CG A:GLU143 3.9 0.0 1.0 H A:ASP134 3.9 0.0 1.0 HG3 A:GLU143 3.9 0.0 1.0 CB A:ASP132 4.0 0.0 1.0 HB2 A:ASP132 4.0 0.0 1.0 HA A:VAL139 4.2 0.0 1.0 CB A:ASP136 4.2 0.0 1.0 CB A:ASP134 4.3 0.0 1.0 HB3 A:GLU143 4.4 0.0 1.0 N A:ASP136 4.4 0.0 1.0 HB3 A:ASP136 4.5 0.0 1.0 N A:GLN138 4.5 0.0 1.0 H A:GLY135 4.5 0.0 1.0 HB2 A:GLU143 4.6 0.0 1.0 CA A:GLN138 4.6 0.0 1.0 CB A:GLU143 4.6 0.0 1.0 HB3 A:ASP132 4.6 0.0 1.0 H A:ASN140 4.6 0.0 1.0 H A:GLY137 4.7 0.0 1.0 CB A:GLN138 4.7 0.0 1.0 HG2 A:GLU143 4.7 0.0 1.0 N A:ASP134 4.7 0.0 1.0 HB3 A:ASP134 4.8 0.0 1.0 H A:ILE133 4.8 0.0 1.0 N A:VAL139 4.8 0.0 1.0 CA A:ASP136 4.8 0.0 1.0 HB2 A:ASP136 4.9 0.0 1.0 HB2 A:ASP134 4.9 0.0 1.0 N A:GLY135 4.9 0.0 1.0 OD1 A:ASN140 5.0 0.0 1.0 CA A:ASP134 5.0 0.0 1.0 CA A:VAL139 5.0 0.0 1.0

O.V.Moroz, Y.S.Moroz, Y.Wu, A.B.Olsen, H.Cheng, K.L.Mack, J.M.Mclaughlin, E.A.Raymond, K.Zhezherya, H.Roder, I.V.Korendovych. A Single Mutation in A Regulatory Protein Produces Evolvable Allosterically Regulated Catalyst of Nonnatural Reaction. Angew.Chem.Int.Ed.Engl. V. 52 6246 2013.
ISSN: ISSN 1433-7851
PubMed: 23630096
DOI: 10.1002/ANIE.201302339