Calcium in PDB 1hqv: Structure of Apoptosis-Linked Protein Alg-2

The structure of Structure of Apoptosis-Linked Protein Alg-2, PDB code: 1hqv was solved by J.Jia, S.Tarabykina, C.Hansen, M.Berchtold, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.060, 72.060, 91.520, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 29.5

The binding sites of Calcium atom in the Structure of Apoptosis-Linked Protein Alg-2 (pdb code 1hqv). 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 Apoptosis-Linked Protein Alg-2, PDB code: 1hqv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Apoptosis-Linked Protein Alg-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Apoptosis-Linked Protein Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca996 b:6.2 occ:0.50 O A:HOH437 2.1 23.5 1.0 O A:HOH436 2.2 20.6 1.0 OD1 A:ASN106 2.3 37.1 1.0 O A:HOH444 2.4 38.0 0.5 CG A:ASN106 3.5 35.7 1.0 O A:ARG100 4.0 32.3 1.0 O A:ASP103 4.1 29.8 1.0 ND2 A:ASN106 4.1 36.7 1.0 O A:HOH445 4.7 13.3 0.5 CB A:ASN106 4.7 34.5 1.0 O A:ARG104 4.9 31.5 1.0

Calcium binding site 2 out of 4 in the Structure of Apoptosis-Linked Protein Alg-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Apoptosis-Linked Protein Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca997 b:50.5 occ:1.00 OD2 A:ASP38 2.2 53.8 1.0 O A:HOH435 2.2 45.7 1.0 OD1 A:ASP36 2.3 46.5 1.0 O A:VAL42 2.4 48.0 1.0 OE2 A:GLU47 2.5 43.7 1.0 OG A:SER40 2.6 50.1 1.0 OE1 A:GLU47 2.6 42.2 1.0 CD A:GLU47 2.9 44.1 1.0 CG A:ASP38 2.9 55.8 1.0 OD1 A:ASP38 3.0 57.4 1.0 CG A:ASP36 3.5 49.0 1.0 C A:VAL42 3.5 47.8 1.0 CB A:SER40 3.6 50.2 1.0 N A:SER40 3.7 51.0 1.0 CA A:ASP36 4.1 49.1 1.0 CA A:SER40 4.2 50.1 1.0 N A:VAL42 4.2 48.5 1.0 CB A:ASP38 4.2 53.6 1.0 CB A:ASP36 4.3 49.2 1.0 N A:ASP38 4.3 52.1 1.0 CG A:GLU47 4.3 43.7 1.0 N A:ILE43 4.4 48.1 1.0 N A:ARG39 4.4 52.7 1.0 CA A:ILE43 4.4 45.6 1.0 C A:ASP36 4.4 50.5 1.0 OD2 A:ASP36 4.4 46.9 1.0 CA A:VAL42 4.4 47.9 1.0 N A:GLY41 4.5 52.0 1.0 CA A:ASP38 4.6 53.4 1.0 C A:ASP38 4.7 53.4 1.0 N A:LYS37 4.7 50.6 1.0 C A:SER40 4.7 51.5 1.0 N A:SER44 4.8 48.9 1.0 C A:ARG39 4.8 51.8 1.0 O A:ASP36 4.9 51.1 1.0

Calcium binding site 3 out of 4 in the Structure of Apoptosis-Linked Protein Alg-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Apoptosis-Linked Protein Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:33.7 occ:1.00 OE2 A:GLU114 2.2 36.1 1.0 OD1 A:ASP103 2.3 31.3 1.0 O A:MET109 2.3 33.1 1.0 OE1 A:GLU114 2.4 37.1 1.0 OD2 A:ASP105 2.5 34.2 1.0 OG A:SER107 2.6 38.5 1.0 O A:HOH433 2.6 27.6 1.0 CD A:GLU114 2.6 37.3 1.0 CG A:ASP105 3.4 34.8 1.0 CG A:ASP103 3.5 32.4 1.0 C A:MET109 3.6 34.8 1.0 OD1 A:ASP105 3.7 36.4 1.0 CB A:SER107 3.8 33.4 1.0 N A:SER107 4.1 32.6 1.0 CA A:ASP103 4.1 29.5 1.0 CG A:GLU114 4.1 36.0 1.0 N A:ASP105 4.3 34.0 1.0 CB A:ASP103 4.3 30.7 1.0 CA A:ILE110 4.3 35.8 1.0 N A:MET109 4.3 33.1 1.0 C A:ASP103 4.3 30.6 1.0 N A:ILE110 4.4 34.3 1.0 OD2 A:ASP103 4.4 27.0 1.0 N A:ASP111 4.4 37.0 1.0 CA A:SER107 4.4 33.2 1.0 N A:ARG104 4.5 30.2 1.0 CB A:ASP105 4.6 33.8 1.0 CA A:MET109 4.6 34.7 1.0 OD2 A:ASP111 4.6 35.1 1.0 N A:ASN106 4.7 33.4 1.0 N A:GLY108 4.7 33.8 1.0 CA A:ASP105 4.8 35.2 1.0 C A:ILE110 4.9 36.1 1.0 OE1 A:GLN145 4.9 52.5 1.0 C A:ASP105 4.9 34.7 1.0 O A:ASP103 4.9 29.8 1.0 CG A:ASP111 4.9 35.6 1.0 C A:SER107 4.9 33.4 1.0 CB A:GLU114 5.0 35.0 1.0

Calcium binding site 4 out of 4 in the Structure of Apoptosis-Linked Protein Alg-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Apoptosis-Linked Protein Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:50.8 occ:1.00 OD1 A:ASP171 2.1 55.4 1.0 OD1 A:ASP173 2.2 50.4 1.0 O A:HOH432 2.3 33.8 1.0 OD1 A:ASP169 2.3 49.9 1.0 O A:TRP175 2.4 49.9 1.0 O A:HOH434 2.7 66.5 1.0 CG A:ASP171 3.0 52.5 1.0 OD2 A:ASP171 3.3 52.8 1.0 CG A:ASP173 3.4 50.2 1.0 CG A:ASP169 3.5 49.9 1.0 C A:TRP175 3.5 50.2 1.0 OD2 A:ASP169 4.1 50.9 1.0 OD2 A:ASP173 4.2 50.0 1.0 CB A:ASP173 4.3 49.9 1.0 CB A:ASP171 4.4 52.0 1.0 N A:TRP175 4.4 51.6 1.0 CA A:TRP175 4.4 50.6 1.0 CA A:ASP169 4.4 49.9 1.0 N A:ILE176 4.4 48.4 1.0 N A:ASP173 4.4 50.6 1.0 N A:ASP171 4.5 53.2 1.0 CA A:ILE176 4.5 46.3 1.0 CB A:ASP169 4.5 47.5 1.0 CG2 A:ILE176 4.6 47.2 1.0 CB A:TRP175 4.6 52.7 1.0 C A:ASP169 4.7 51.6 1.0 CA A:ASP171 4.8 52.8 1.0 N A:THR170 4.9 52.8 1.0 CA A:ASP173 4.9 49.5 1.0 N A:GLN172 4.9 50.8 1.0 C A:ASP171 4.9 52.2 1.0

J.Jia, S.Tarabykina, C.Hansen, M.Berchtold, M.Cygler. Structure of Apoptosis-Linked Protein Alg-2: Insights Into CA2+-Induced Changes in Penta-Ef-Hand Proteins. Structure V. 9 267 2001.
ISSN: ISSN 0969-2126
PubMed: 11525164
DOI: 10.1016/S0969-2126(01)00585-8