Calcium in PDB 4ae2: Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer

The structure of Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer, PDB code: 4ae2 was solved by J.M.Bourhis, N.Mariano, Y.Zhao, K.Harlos, E.Y.Jones, C.Moali, N.Aghajari, D.J.Hulmes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.27 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.450, 90.360, 102.440, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 21.4

The binding sites of Calcium atom in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer (pdb code 4ae2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer, PDB code: 4ae2:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer


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 Human Fibrillar Procollagen Type III C- Propeptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:16.6 occ:1.00 O A:GLN62 2.3 16.1 1.0 OD1 A:ASN61 2.3 17.1 1.0 O A:CYS64 2.3 18.3 1.0 OD1 A:ASP67 2.3 17.9 1.0 O A:HOH2037 2.4 16.1 1.0 OD1 A:ASP59 2.5 16.1 1.0 OD2 A:ASP59 2.6 18.7 1.0 CG A:ASP59 2.9 16.1 1.0 CG A:ASP67 3.3 18.9 1.0 C A:GLN62 3.4 16.4 1.0 CG A:ASN61 3.5 14.4 1.0 C A:CYS64 3.5 19.6 1.0 OD2 A:ASP67 3.6 17.4 1.0 N A:GLN62 3.8 12.9 1.0 CA A:GLN62 4.0 15.4 1.0 ND2 A:ASN61 4.0 15.4 1.0 C A:ASN61 4.1 13.5 1.0 N A:CYS64 4.2 19.8 1.0 NE2 A:GLN132 4.2 15.9 1.0 C A:GLY63 4.3 18.1 1.0 O A:ASN61 4.4 13.9 1.0 O A:HOH2036 4.4 17.2 1.0 CB A:ASP59 4.4 15.5 1.0 O A:HOH2042 4.4 26.5 1.0 CA A:CYS64 4.4 17.9 1.0 N A:LYS65 4.4 20.7 1.0 N A:GLY63 4.5 17.2 1.0 CA A:LYS65 4.5 21.0 1.0 O A:HOH2034 4.5 28.2 1.0 O A:GLY63 4.5 18.5 1.0 CB A:ASN61 4.7 13.9 1.0 CB A:ASP67 4.7 20.6 1.0 CA A:GLY63 4.7 17.2 1.0 CA A:ASN61 4.8 13.6 1.0 N A:ASP67 4.8 21.8 1.0 C A:LYS65 4.8 22.9 1.0 N A:ASN61 4.9 13.3 1.0 OD1 C:ASP43 4.9 16.5 1.0 C A:ASP67 5.0 19.9 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer


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 Human Fibrillar Procollagen Type III C- Propeptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca246 b:16.2 occ:1.00 O B:GLN62 2.3 17.8 1.0 OD1 B:ASN61 2.3 15.4 1.0 O B:CYS64 2.3 19.6 1.0 OD1 B:ASP67 2.3 18.6 1.0 OD1 B:ASP59 2.4 16.3 1.0 O A:HOH2019 2.4 18.2 1.0 OD2 B:ASP59 2.5 17.4 1.0 CG B:ASP59 2.8 16.1 1.0 CG B:ASP67 3.3 20.1 1.0 C B:GLN62 3.4 17.6 1.0 CG B:ASN61 3.4 14.1 1.0 C B:CYS64 3.5 20.9 1.0 OD2 B:ASP67 3.6 19.4 1.0 N B:GLN62 3.9 15.6 1.0 ND2 B:ASN61 4.0 14.8 1.0 CA B:GLN62 4.0 17.1 1.0 N B:CYS64 4.1 19.2 1.0 NE2 B:GLN132 4.1 16.9 1.0 C B:ASN61 4.2 16.1 1.0 C B:GLY63 4.3 19.9 1.0 CA B:CYS64 4.3 19.6 1.0 CB B:ASP59 4.3 15.4 1.0 N B:LYS65 4.4 20.2 1.0 N B:GLY63 4.5 20.0 1.0 CA B:LYS65 4.5 20.8 1.0 O B:HOH2027 4.6 29.9 1.0 O B:GLY63 4.6 22.1 1.0 CB B:ASN61 4.6 13.3 1.0 O B:ASN61 4.7 15.6 1.0 CB B:ASP67 4.7 20.0 1.0 CA B:GLY63 4.7 20.1 1.0 CB B:CYS64 4.7 21.1 1.0 N B:ASP67 4.7 20.6 1.0 C B:LYS65 4.8 20.2 1.0 CA B:ASN61 4.8 14.2 1.0 C B:ASP67 4.8 19.4 1.0 OD2 A:ASP43 4.9 23.6 1.0 N B:ASN61 4.9 15.0 1.0 O B:ASP59 4.9 14.6 1.0 CA B:ASP67 5.0 20.2 1.0 CA B:ASP59 5.0 13.9 1.0 N B:ALA68 5.0 19.8 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer


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 Human Fibrillar Procollagen Type III C- Propeptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca246 b:13.3 occ:1.00 O C:CYS64 2.2 16.2 1.0 O C:GLN62 2.3 13.7 0.5 O C:GLN62 2.3 13.7 0.5 OD1 C:ASP67 2.3 14.3 1.0 OD1 C:ASN61 2.3 13.9 1.0 O B:HOH2016 2.4 15.7 1.0 OD1 C:ASP59 2.4 15.5 1.0 OD2 C:ASP59 2.5 15.2 1.0 CG C:ASP59 2.8 13.8 1.0 CG C:ASP67 3.3 14.2 1.0 C C:CYS64 3.4 16.8 1.0 CG C:ASN61 3.4 13.7 1.0 C C:GLN62 3.4 13.3 0.5 C C:GLN62 3.5 13.3 0.5 OD2 C:ASP67 3.6 15.6 1.0 N C:GLN62 3.9 12.3 0.5 ND2 C:ASN61 4.0 11.6 1.0 N C:GLN62 4.0 12.4 0.5 CA C:GLN62 4.1 13.3 0.5 N C:CYS64 4.1 14.9 1.0 NE2 C:GLN132 4.1 15.2 1.0 CA C:GLN62 4.1 13.6 0.5 CA C:CYS64 4.2 15.2 1.0 C C:GLY63 4.2 16.3 1.0 N C:LYS65 4.3 17.4 1.0 CB C:ASP59 4.3 12.4 1.0 C C:ASN61 4.3 12.9 1.0 CA C:LYS65 4.4 17.6 1.0 N C:GLY63 4.5 14.7 1.0 O C:GLY63 4.5 18.2 1.0 CB C:ASN61 4.6 13.4 1.0 CB C:ASP67 4.7 14.9 1.0 N C:ASP67 4.7 14.0 1.0 C C:LYS65 4.7 16.1 1.0 CB C:CYS64 4.7 19.0 1.0 CA C:GLY63 4.8 14.7 1.0 O C:ASN61 4.8 14.3 1.0 C C:ASP67 4.8 12.9 1.0 OD2 B:ASP43 4.8 18.2 1.0 CA C:ASN61 4.8 12.5 1.0 N C:ASN61 4.9 12.9 1.0 N C:ALA68 4.9 13.0 1.0 O C:HOH2026 4.9 24.2 1.0 CA C:ASP67 5.0 13.6 1.0 CD C:GLN132 5.0 14.6 1.0

J.M.Bourhis, N.Mariano, Y.Zhao, K.Harlos, J.Y.Exposito, E.Y.Jones, C.Moali, N.Aghajari, D.J.Hulmes. Structural Basis of Fibrillar Collagen Trimerization and Related Genetic Disorders. Nat.Struct.Mol.Biol. V. 19 1031 2012.
ISSN: ISSN 1545-9993
PubMed: 23001006
DOI: 10.1038/NSMB.2389