Calcium in PDB 1n42: Crystal Structure of Annexin V R149E Mutant

The structure of Crystal Structure of Annexin V R149E Mutant, PDB code: 1n42 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 (°)	157.535, 157.535, 36.383, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 23.9

The binding sites of Calcium atom in the Crystal Structure of Annexin V R149E Mutant (pdb code 1n42). 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 R149E Mutant, PDB code: 1n42:
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 R149E 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 R149E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:60.1 occ:1.00 O A:HOH609 2.3 47.5 1.0 O A:MET26 2.4 46.2 1.0 O A:GLY30 2.4 52.5 1.0 OE1 A:GLU70 2.5 58.3 1.0 O A:GLY28 2.5 60.0 1.0 OE2 A:GLU70 2.7 59.1 1.0 O A:HOH621 2.7 57.2 1.0 CD A:GLU70 2.9 58.1 1.0 C A:MET26 3.4 49.5 1.0 C A:GLY30 3.6 54.6 1.0 C A:GLY28 3.7 60.3 1.0 N A:GLY30 3.8 58.5 1.0 CA A:MET26 4.0 48.3 1.0 O A:LYS27 4.0 57.8 1.0 C A:LEU29 4.2 60.6 1.0 OG1 A:THR31 4.2 51.9 1.0 C A:LYS27 4.2 58.0 1.0 CA A:GLY30 4.3 56.7 1.0 CG A:GLU70 4.4 57.5 1.0 CA A:LEU29 4.4 61.5 1.0 N A:LYS27 4.4 53.0 1.0 N A:LEU29 4.5 60.6 1.0 N A:GLY28 4.5 59.9 1.0 CB A:MET26 4.6 46.0 1.0 N A:THR31 4.7 53.7 1.0 CA A:LYS27 4.7 57.4 1.0 CA A:GLY28 4.8 60.3 1.0 O A:LEU29 4.8 62.2 1.0 CA A:THR31 4.9 50.9 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Annexin V R149E 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 R149E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:81.4 occ:1.00 O A:GLY100 2.5 69.7 1.0 O A:LEU98 2.7 56.9 1.0 OD1 A:ASP142 2.8 57.1 1.0 O A:GLY102 3.0 64.2 1.0 OG1 A:THR103 3.2 58.7 1.0 C A:LEU98 3.5 57.4 1.0 CG A:ASP142 3.5 54.2 1.0 C A:GLY102 3.5 62.2 1.0 C A:GLY100 3.7 70.3 1.0 N A:GLY102 3.9 66.9 1.0 OD2 A:ASP142 3.9 55.1 1.0 N A:THR103 4.0 59.5 1.0 CA A:THR103 4.1 55.7 1.0 CA A:LEU98 4.1 54.2 1.0 CB A:THR103 4.2 56.0 1.0 N A:GLY100 4.3 69.1 1.0 CA A:GLY102 4.3 64.8 1.0 C A:LYS99 4.3 67.6 1.0 C A:ALA101 4.3 68.7 1.0 N A:LYS99 4.3 62.2 1.0 CB A:ASP142 4.4 49.0 1.0 CA A:ALA101 4.6 69.1 1.0 CA A:LYS99 4.6 65.8 1.0 N A:ALA101 4.6 69.7 1.0 CA A:GLY100 4.7 70.7 1.0 O A:LYS99 4.7 68.8 1.0 O A:ALA97 4.9 52.4 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Annexin V R149E 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 R149E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:18.8 occ:1.00 O A:GLY186 2.3 17.3 1.0 OE2 A:GLU226 2.4 22.9 1.0 O A:LYS184 2.4 19.4 1.0 O A:GLY181 2.5 14.2 1.0 OE1 A:GLU226 2.5 17.9 1.0 O A:HOH503 2.6 18.5 1.0 O2 A:SO4451 2.7 31.6 1.0 O3 A:SO4451 2.7 27.0 1.0 CD A:GLU226 2.7 19.4 1.0 S A:SO4451 3.2 34.1 1.0 C A:GLY181 3.4 16.3 1.0 C A:GLY186 3.5 20.5 1.0 C A:LYS184 3.5 15.7 1.0 N A:GLY186 3.8 16.4 1.0 O4 A:SO4451 4.1 33.2 1.0 CA A:GLY181 4.2 13.2 1.0 CA A:GLY186 4.2 20.6 1.0 OG1 A:THR187 4.2 20.8 1.0 CG A:GLU226 4.2 19.6 1.0 N A:LYS184 4.3 18.4 1.0 CA A:LYS184 4.3 18.6 1.0 N A:GLU182 4.3 17.4 1.0 O1 A:SO4451 4.3 34.8 1.0 CB A:LYS184 4.5 16.4 1.0 O A:HOH624 4.5 56.2 1.0 O A:HOH507 4.5 26.4 1.0 CA A:GLU182 4.5 16.3 1.0 N A:THR187 4.5 20.2 1.0 N A:TRP185 4.6 20.8 1.0 C A:TRP185 4.6 19.3 1.0 C A:GLU182 4.6 18.6 1.0 O A:GLU182 4.7 19.7 1.0 CA A:THR187 4.7 22.2 1.0 O A:HOH632 4.7 38.1 1.0 CA A:TRP185 4.7 20.9 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Annexin V R149E 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 R149E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:55.9 occ:1.00 O A:ASP224 2.6 35.9 1.0 OD2 A:ASP224 2.7 36.6 1.0 OE2 A:GLU232 2.7 31.8 1.0 O A:HOH635 2.9 51.4 1.0 O A:THR227 2.9 32.5 1.0 OE1 A:GLU232 3.2 34.9 1.0 CD A:GLU232 3.2 34.5 1.0 C A:ASP224 3.6 32.0 1.0 CG A:ASP224 3.8 39.9 1.0 CA A:ASP224 3.9 29.6 1.0 C A:THR227 4.1 29.3 1.0 CA A:SER228 4.4 32.8 1.0 CB A:ASP224 4.5 32.9 1.0 CG A:GLU232 4.5 26.9 1.0 CB A:SER228 4.6 29.9 1.0 N A:SER228 4.7 28.5 1.0 OD1 A:ASP224 4.7 45.5 1.0 N A:ARG225 4.9 27.4 1.0 O A:ILE223 4.9 21.6 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Annexin V R149E 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 R149E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:62.1 occ:1.00 O A:GLY261 2.4 61.5 1.0 OD2 A:ASP301 2.5 67.1 1.0 OD1 A:ASP301 2.7 65.8 1.0 O A:GLY259 2.7 73.0 1.0 CG A:ASP301 2.9 65.3 1.0 O A:MET257 3.1 62.3 1.0 C A:GLY261 3.5 62.8 1.0 OG1 A:THR262 3.6 60.9 1.0 C A:MET257 3.7 61.8 1.0 C A:GLY259 4.0 72.7 1.0 CA A:MET257 4.1 58.4 1.0 N A:GLY261 4.1 68.0 1.0 CA A:GLY261 4.4 65.8 1.0 N A:GLY259 4.4 71.3 1.0 CB A:ASP301 4.4 62.9 1.0 N A:THR262 4.5 60.1 1.0 N A:LYS258 4.5 66.1 1.0 CA A:THR262 4.6 56.6 1.0 CB A:MET257 4.6 54.2 1.0 CB A:THR262 4.6 57.7 1.0 C A:ALA260 4.6 70.8 1.0 C A:LYS258 4.7 69.7 1.0 CA A:GLY259 4.8 72.0 1.0 N A:ALA260 4.9 72.2 1.0 CA A:LYS258 5.0 68.8 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