Calcium in PDB 2h2k: Crystal Structure Analysis of Human S100A13

The structure of Crystal Structure Analysis of Human S100A13, PDB code: 2h2k was solved by M.Li, P.F.Zhang, J.P.Zhang, W.R.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.196, 60.665, 78.536, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.9

The binding sites of Calcium atom in the Crystal Structure Analysis of Human S100A13 (pdb code 2h2k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure Analysis of Human S100A13, PDB code: 2h2k:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure Analysis of Human S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of Human S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:15.5 occ:1.00 O A:ARG29 2.3 33.5 1.0 O A:ALA24 2.3 22.4 1.0 O A:HOH101 2.4 25.2 1.0 O A:SER32 2.4 21.1 1.0 OE1 A:GLU37 2.4 29.1 1.0 O A:GLU27 2.4 26.3 1.0 OE2 A:GLU37 2.6 24.3 1.0 CD A:GLU37 2.9 21.6 1.0 C A:ALA24 3.4 20.6 1.0 C A:ARG29 3.5 40.3 1.0 C A:SER32 3.6 23.4 1.0 C A:GLU27 3.6 30.5 1.0 CA A:ALA24 3.9 19.5 1.0 N A:ARG29 4.1 35.7 1.0 C A:GLY28 4.2 36.3 1.0 N A:SER34 4.2 19.1 1.0 N A:GLU27 4.2 30.7 1.0 CG A:GLU37 4.4 23.5 1.0 CA A:ARG29 4.4 42.3 1.0 OE1 A:GLU70 4.4 38.8 1.0 CB A:ALA24 4.4 19.9 1.0 O A:GLY28 4.4 31.4 1.0 CA A:LEU33 4.4 23.7 1.0 N A:LYS30 4.4 36.4 1.0 OG A:SER32 4.4 25.6 1.0 N A:LEU33 4.5 25.3 1.0 N A:SER32 4.5 26.5 1.0 N A:ARG25 4.5 24.5 1.0 CA A:LYS30 4.5 36.1 1.0 CA A:GLU27 4.5 32.4 1.0 N A:GLY28 4.6 32.7 1.0 CA A:GLY28 4.6 30.8 1.0 CA A:SER32 4.6 26.1 1.0 C A:LEU33 4.7 23.5 1.0 CG A:GLU27 4.7 41.0 1.0 C A:LYS30 4.8 35.1 1.0 CA A:ARG25 4.9 31.4 1.0 N A:GLN26 4.9 30.6 1.0 CB A:ARG29 4.9 50.7 1.0 O A:PHE23 5.0 22.2 1.0

Calcium binding site 2 out of 4 in the Crystal Structure Analysis of Human S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of Human S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:17.9 occ:1.00 OD1 A:ASP64 2.3 28.6 1.0 O A:GLU70 2.3 27.1 1.0 OD1 A:ASN66 2.4 30.3 1.0 OE1 A:GLU75 2.4 28.4 1.0 O A:HOH102 2.4 36.7 1.0 OD1 A:ASP68 2.4 28.8 1.0 OE2 A:GLU75 2.5 30.1 1.0 CD A:GLU75 2.8 27.3 1.0 CG A:ASP68 3.3 35.8 1.0 CG A:ASN66 3.3 29.3 1.0 CG A:ASP64 3.4 24.1 1.0 C A:GLU70 3.5 30.9 1.0 OD2 A:ASP68 3.6 35.5 1.0 ND2 A:ASN66 3.8 32.2 1.0 CA A:ASP64 4.0 24.8 1.0 N A:ASP68 4.2 39.6 1.0 N A:GLU70 4.2 32.6 1.0 CB A:ASP64 4.2 25.2 1.0 CG A:GLU75 4.3 27.2 1.0 OD2 A:ASP64 4.3 31.9 1.0 CA A:LEU71 4.4 22.0 1.0 N A:LEU71 4.4 25.0 1.0 CA A:GLU70 4.4 30.8 1.0 N A:ASN66 4.4 36.6 1.0 C A:ASP64 4.4 31.1 1.0 CB A:ASP68 4.4 36.9 1.0 O A:HOH198 4.5 35.6 1.0 CB A:ASN66 4.6 35.1 1.0 N A:LYS72 4.6 26.6 1.0 O A:HOH144 4.7 41.9 1.0 CA A:ASP68 4.7 36.8 1.0 N A:VAL65 4.7 32.4 1.0 N A:GLN67 4.7 38.0 1.0 C A:ASN66 4.8 38.7 1.0 CA A:ASN66 4.8 36.6 1.0 N A:SER69 4.9 35.5 1.0 CB A:GLU70 4.9 31.1 1.0 C A:ASP68 4.9 38.6 1.0 CD2 A:LEU71 4.9 21.5 1.0 O A:ASP64 4.9 27.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure Analysis of Human S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure Analysis of Human S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:15.7 occ:1.00 O B:ARG29 2.3 31.4 1.0 O B:ALA24 2.3 27.0 1.0 O B:HOH103 2.3 30.5 1.0 OE1 B:GLU37 2.3 25.3 1.0 O B:SER32 2.4 21.6 1.0 O B:GLU27 2.4 31.0 1.0 OE2 B:GLU37 2.6 25.4 1.0 CD B:GLU37 2.8 24.8 1.0 C B:ALA24 3.4 25.3 1.0 C B:ARG29 3.4 33.9 1.0 C B:SER32 3.6 22.7 1.0 C B:GLU27 3.7 35.0 1.0 CA B:ALA24 3.9 25.2 1.0 N B:ARG29 4.1 31.4 1.0 N B:GLU27 4.2 34.7 1.0 N B:SER34 4.2 22.9 1.0 C B:GLY28 4.3 34.0 1.0 CG B:GLU37 4.3 25.8 1.0 N B:LYS30 4.3 33.1 1.0 CA B:ARG29 4.3 35.3 1.0 CB B:ALA24 4.4 23.9 1.0 CA B:LYS30 4.4 35.2 1.0 CA B:LEU33 4.4 21.8 1.0 N B:LEU33 4.5 18.8 1.0 N B:SER32 4.5 22.3 1.0 CA B:GLU27 4.5 35.6 1.0 OE1 B:GLU70 4.5 29.4 1.0 N B:ARG25 4.5 27.5 1.0 O B:GLY28 4.6 31.8 1.0 CA B:SER32 4.6 20.5 1.0 N B:GLY28 4.6 34.8 1.0 OG B:SER32 4.7 27.1 1.0 CG B:GLU27 4.7 41.3 1.0 CA B:GLY28 4.7 32.1 1.0 C B:LEU33 4.7 22.7 1.0 C B:LYS30 4.8 33.3 1.0 CB B:ARG29 4.9 38.1 1.0 CA B:ARG25 4.9 33.9 1.0 O B:PHE23 4.9 26.1 1.0 N B:GLN26 4.9 32.7 1.0 C B:ARG25 5.0 32.8 1.0

Calcium binding site 4 out of 4 in the Crystal Structure Analysis of Human S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure Analysis of Human S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:12.2 occ:1.00 OD1 B:ASP64 2.2 26.8 1.0 OD1 B:ASN66 2.3 22.8 1.0 O B:GLU70 2.3 20.2 1.0 O B:HOH104 2.4 38.1 1.0 OE1 B:GLU75 2.4 29.8 1.0 OD1 B:ASP68 2.5 27.5 1.0 OE2 B:GLU75 2.5 25.4 1.0 CD B:GLU75 2.8 27.6 1.0 CG B:ASN66 3.3 26.0 1.0 CG B:ASP64 3.4 24.5 1.0 CG B:ASP68 3.4 31.8 1.0 C B:GLU70 3.6 24.9 1.0 OD2 B:ASP68 3.7 29.4 1.0 ND2 B:ASN66 3.9 26.0 1.0 CA B:ASP64 4.1 22.8 1.0 CB B:ASP64 4.2 23.0 1.0 OD2 B:ASP64 4.2 26.8 1.0 N B:GLU70 4.2 26.6 1.0 N B:ASP68 4.3 22.6 1.0 CG B:GLU75 4.3 27.1 1.0 N B:GLN67 4.4 27.8 1.0 C B:ASP64 4.4 26.8 1.0 CA B:LEU71 4.5 23.6 1.0 CA B:GLU70 4.5 27.7 1.0 N B:ASN66 4.5 24.7 1.0 N B:LEU71 4.5 21.9 1.0 CB B:ASN66 4.5 26.2 1.0 CB B:ASP68 4.6 27.5 1.0 O B:HOH116 4.6 28.3 1.0 C B:ASN66 4.7 27.1 1.0 O B:HOH120 4.7 35.1 1.0 N B:VAL65 4.7 26.4 1.0 N B:LYS72 4.7 23.5 1.0 CD2 B:LEU71 4.8 20.3 1.0 CA B:ASN66 4.8 26.4 1.0 CA B:ASP68 4.8 25.6 1.0 N B:SER69 4.9 23.9 1.0 CB B:GLU70 4.9 30.0 1.0 C B:ASP68 4.9 24.1 1.0 O B:ASP64 4.9 24.3 1.0

M.Li, P.-F.Zhang, X.-W.Pan, W.-R.Chang. Crystal Structure Study on Human S100A13 at 2.0 A Resolution Biochem.Biophys.Res.Commun. V. 356 616 2007.
ISSN: ISSN 0006-291X
PubMed: 17374362
DOI: 10.1016/J.BBRC.2007.03.014