Calcium in PDB 1n41: Crystal Structure of Annexin V K27E Mutant

The structure of Crystal Structure of Annexin V K27E Mutant, PDB code: 1n41 was solved by Y.D.Mo, B.Campos, T.R.Mealy, L.Commodore, J.F.Head, J.R.Dedman, B.A.Seaton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	157.596, 157.596, 37.059, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 22.3

The binding sites of Calcium atom in the Crystal Structure of Annexin V K27E Mutant (pdb code 1n41). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Annexin V K27E Mutant, PDB code: 1n41:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Annexin V K27E Mutant


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 Annexin V K27E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:51.7 occ:1.00 O A:MET26 2.3 44.1 1.0 OE2 A:GLU70 2.3 56.1 1.0 O A:GLY30 2.5 47.7 1.0 O A:GLY28 2.7 54.6 1.0 OE1 A:GLU70 2.9 57.5 1.0 CD A:GLU70 2.9 53.5 1.0 C A:MET26 3.4 45.0 1.0 C A:GLY30 3.7 50.8 1.0 N A:GLY30 3.9 53.9 1.0 C A:GLY28 3.9 54.6 1.0 CA A:MET26 4.1 45.3 1.0 O A:GLU27 4.1 51.4 1.0 OG1 A:THR31 4.2 45.5 1.0 C A:GLU27 4.3 52.2 1.0 CA A:GLY30 4.4 52.7 1.0 CG A:GLU70 4.4 50.2 1.0 C A:LEU29 4.4 55.9 1.0 N A:GLU27 4.5 47.6 1.0 CA A:LEU29 4.6 56.4 1.0 N A:GLY28 4.6 54.7 1.0 CB A:MET26 4.7 42.0 1.0 N A:THR31 4.7 48.5 1.0 O A:HOH653 4.7 53.8 1.0 CA A:GLU27 4.7 51.4 1.0 N A:LEU29 4.8 55.8 1.0 CA A:THR31 4.9 44.2 1.0 CA A:GLY28 4.9 55.2 1.0 O A:HOH597 5.0 45.9 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Annexin V K27E Mutant


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 Annexin V K27E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:76.0 occ:1.00 O A:GLY102 2.2 67.7 1.0 O A:GLY100 2.6 71.9 1.0 O A:LEU98 2.8 52.0 1.0 C A:GLY102 3.1 65.8 1.0 N A:GLY102 3.2 70.2 1.0 OD1 A:ASP142 3.2 52.4 1.0 CG2 A:THR103 3.3 59.9 1.0 C A:GLY100 3.7 71.6 1.0 CG A:ASP142 3.7 47.8 1.0 CA A:GLY102 3.8 68.0 1.0 OD2 A:ASP142 3.9 49.5 1.0 C A:LEU98 3.9 53.2 1.0 C A:ALA101 4.0 71.1 1.0 N A:THR103 4.0 61.8 1.0 CA A:ALA101 4.1 71.1 1.0 CB A:THR103 4.3 58.8 1.0 N A:ALA101 4.3 71.4 1.0 CA A:THR103 4.4 58.5 1.0 C A:LYS99 4.4 65.2 1.0 O A:LYS99 4.4 64.7 1.0 N A:GLY100 4.6 67.9 1.0 CB A:ASP142 4.6 43.8 1.0 OG1 A:THR103 4.7 63.1 1.0 CA A:GLY100 4.7 70.5 1.0 CA A:LEU98 4.7 49.4 1.0 N A:LYS99 4.9 57.5 1.0 CA A:LYS99 4.9 62.1 1.0 O A:ALA101 5.0 71.3 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Annexin V K27E Mutant


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 Annexin V K27E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:15.1 occ:1.00 O A:LYS184 2.3 14.6 1.0 OE2 A:GLU226 2.4 23.6 1.0 O A:GLY186 2.4 15.7 1.0 O A:HOH500 2.4 12.5 1.0 O A:GLY181 2.4 13.3 1.0 OE1 A:GLU226 2.4 17.0 1.0 O3 A:SO4451 2.6 40.5 1.0 O2 A:SO4451 2.7 40.4 1.0 CD A:GLU226 2.8 19.8 1.0 S A:SO4451 3.2 37.4 1.0 C A:GLY181 3.4 16.6 1.0 C A:LYS184 3.5 13.9 1.0 C A:GLY186 3.6 15.6 1.0 N A:GLY186 3.8 11.8 1.0 OG1 A:THR187 4.1 24.0 1.0 N A:LYS184 4.2 15.2 1.0 O4 A:SO4451 4.2 41.0 1.0 CA A:GLY181 4.2 13.7 1.0 CA A:LYS184 4.3 17.1 1.0 CG A:GLU226 4.3 18.2 1.0 CA A:GLY186 4.3 16.5 1.0 O1 A:SO4451 4.3 42.4 1.0 N A:GLU182 4.3 14.2 1.0 O A:HOH672 4.3 65.7 1.0 O A:HOH517 4.4 19.1 1.0 O A:GLU182 4.4 12.8 1.0 CA A:GLU182 4.5 12.2 1.0 CB A:LYS184 4.5 17.1 1.0 C A:GLU182 4.5 16.3 1.0 N A:TRP185 4.5 16.1 1.0 C A:TRP185 4.5 15.2 1.0 O A:HOH543 4.6 47.9 1.0 N A:THR187 4.6 15.3 1.0 CA A:TRP185 4.7 16.2 1.0 CA A:THR187 4.8 18.8 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Annexin V K27E Mutant


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 Annexin V K27E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:66.8 occ:1.00 OE2 A:GLU232 2.7 32.5 1.0 OD2 A:ASP224 2.8 35.6 1.0 O A:ASP224 2.9 31.3 1.0 O A:HOH686 2.9 56.1 1.0 O A:THR227 3.0 26.7 1.0 CD A:GLU232 3.2 33.9 1.0 OE1 A:GLU232 3.2 32.5 1.0 C A:ASP224 3.8 30.0 1.0 CG A:ASP224 3.8 38.1 1.0 CA A:ASP224 4.0 27.6 1.0 C A:THR227 4.1 27.3 1.0 CA A:SER228 4.4 31.0 1.0 O A:HOH628 4.4 61.2 1.0 CB A:ASP224 4.5 32.6 1.0 CG A:GLU232 4.5 26.7 1.0 CB A:SER228 4.5 27.9 1.0 OD1 A:ASP224 4.6 41.5 1.0 N A:SER228 4.7 28.4 1.0 O A:ILE223 5.0 17.8 1.0 N A:ARG225 5.0 28.2 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Annexin V K27E Mutant


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 Annexin V K27E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:56.2 occ:1.00 O A:GLY261 2.2 60.9 1.0 OD1 A:ASP301 2.4 51.0 1.0 O A:GLY259 2.5 70.6 1.0 OD2 A:ASP301 2.7 51.0 1.0 CG A:ASP301 2.9 53.3 1.0 C A:GLY261 3.2 61.4 1.0 O A:MET257 3.6 57.0 1.0 C A:GLY259 3.7 69.9 1.0 N A:GLY261 3.8 64.1 1.0 C A:MET257 3.9 57.1 1.0 CA A:GLY261 4.0 63.0 1.0 C A:ALA260 4.0 66.3 1.0 N A:THR262 4.1 58.1 1.0 CB A:THR262 4.1 57.9 1.0 CA A:MET257 4.2 53.3 1.0 O A:ALA260 4.3 67.1 1.0 CA A:THR262 4.3 56.0 1.0 CB A:ASP301 4.4 53.9 1.0 N A:GLY259 4.5 67.9 1.0 CA A:GLY259 4.6 69.0 1.0 N A:ALA260 4.6 69.6 1.0 CA A:ALA260 4.6 67.9 1.0 C A:LYS258 4.7 66.4 1.0 CB A:MET257 4.7 51.0 1.0 N A:LYS258 4.7 61.8 1.0 CG2 A:THR262 4.8 59.7 1.0 O A:LYS258 4.9 65.7 1.0

Y.D.Mo, B.Campos, T.R.Mealy, L.Commodore, J.F.Head, J.R.Dedman, B.A.Seaton. Interfacial Basic Cluster in Annexin V Couples Phospholipid Binding and Trimer Formation on Membrane Surfaces J.Biol.Chem. V. 278 2437 2003.
ISSN: ISSN 0021-9258
PubMed: 12401794
DOI: 10.1074/JBC.M210286200