Calcium in PDB 4aej: 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: 4aej was solved by J.M.Bourhis, N.Mariano, Y.Zhao, K.Harlos, E.Y.Jones, C.Moali, N.Aghajari, D.J.S.Hulmes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.41 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.930, 89.270, 101.460, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.7

The binding sites of Calcium atom in the Crystal Structure of Human Fibrillar Procollagen Type III C- Propeptide Trimer (pdb code 4aej). 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: 4aej:
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:21.4 occ:1.00 O A:GLN62 2.3 21.4 1.0 OD1 A:ASP67 2.3 22.3 1.0 OD1 A:ASN61 2.3 19.6 1.0 O A:CYS64 2.3 23.0 1.0 O A:HOH2025 2.4 22.6 1.0 OD1 A:ASP59 2.5 24.6 1.0 OD2 A:ASP59 2.5 24.5 1.0 CG A:ASP59 2.8 23.4 1.0 CG A:ASP67 3.3 22.1 1.0 C A:GLN62 3.4 21.3 1.0 CG A:ASN61 3.4 19.9 1.0 C A:CYS64 3.5 26.6 1.0 OD2 A:ASP67 3.6 22.6 1.0 N A:GLN62 3.9 20.9 1.0 ND2 A:ASN61 3.9 18.2 1.0 CA A:GLN62 4.0 21.6 1.0 N A:CYS64 4.1 26.7 1.0 NE2 A:GLN132 4.1 22.2 1.0 C A:ASN61 4.3 20.9 1.0 CA A:CYS64 4.3 27.9 1.0 C A:GLY63 4.3 26.1 1.0 CB A:ASP59 4.3 22.5 1.0 N A:LYS65 4.4 27.1 1.0 N A:GLY63 4.5 23.2 1.0 CA A:LYS65 4.6 29.4 1.0 O A:GLY63 4.6 25.4 1.0 CB A:ASN61 4.7 19.2 1.0 O A:ASN61 4.7 21.8 1.0 CB A:ASP67 4.7 21.8 1.0 OD2 B:ASP43 4.7 24.8 1.0 N A:ASP67 4.7 22.8 1.0 CA A:GLY63 4.7 24.9 1.0 C A:LYS65 4.8 27.9 1.0 CA A:ASN61 4.8 20.0 1.0 CD A:GLN132 4.9 21.9 1.0 CB A:CYS64 4.9 30.1 1.0 C A:ASP67 4.9 20.9 1.0 N A:ASN61 5.0 19.1 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:19.5 occ:1.00 O B:GLN62 2.2 20.9 1.0 OD1 B:ASN61 2.3 18.2 1.0 O B:CYS64 2.3 23.9 1.0 OD1 B:ASP67 2.3 21.3 1.0 OD1 B:ASP59 2.4 20.1 1.0 OD2 B:ASP59 2.4 19.8 1.0 O B:HOH2021 2.5 17.9 1.0 CG B:ASP59 2.7 20.0 1.0 C B:GLN62 3.3 20.5 1.0 CG B:ASP67 3.4 21.9 1.0 CG B:ASN61 3.4 18.8 1.0 C B:CYS64 3.5 24.1 1.0 OD2 B:ASP67 3.7 22.0 1.0 N B:GLN62 3.8 19.0 1.0 CA B:GLN62 4.0 20.1 1.0 ND2 B:ASN61 4.1 17.6 1.0 C B:ASN61 4.1 19.4 1.0 N B:CYS64 4.1 24.1 1.0 NE2 B:GLN132 4.2 20.1 1.0 CB B:ASP59 4.3 18.9 1.0 C B:GLY63 4.3 22.6 1.0 CA B:CYS64 4.3 25.4 1.0 O B:HOH2020 4.3 31.6 1.0 N B:GLY63 4.4 21.4 1.0 O B:ASN61 4.4 19.1 1.0 N B:LYS65 4.5 25.0 1.0 O B:GLY63 4.5 23.1 1.0 CB B:ASN61 4.6 18.4 1.0 OD1 C:ASP43 4.6 35.3 1.0 CA B:GLY63 4.7 22.5 1.0 CA B:LYS65 4.7 26.4 1.0 CA B:ASN61 4.7 19.0 1.0 CB B:ASP67 4.7 20.6 1.0 CB B:CYS64 4.8 27.3 1.0 N B:ASP67 4.8 21.7 1.0 N B:ASN61 4.9 18.3 1.0 C B:LYS65 4.9 24.5 1.0 C B:ASP67 5.0 19.3 1.0 O B:ASP59 5.0 17.0 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:23.1 occ:1.00 OD1 C:ASN61 2.2 22.5 1.0 O C:GLN62 2.3 25.8 1.0 O C:CYS64 2.3 33.5 1.0 OD1 C:ASP67 2.3 28.0 1.0 OD2 C:ASP59 2.5 24.9 1.0 OD1 C:ASP59 2.5 24.4 1.0 O A:HOH2012 2.5 25.3 1.0 CG C:ASP59 2.8 23.5 1.0 CG C:ASN61 3.3 23.3 1.0 CG C:ASP67 3.3 28.7 1.0 C C:GLN62 3.3 25.8 1.0 C C:CYS64 3.5 33.3 1.0 OD2 C:ASP67 3.5 28.1 1.0 N C:GLN62 3.7 25.1 1.0 ND2 C:ASN61 3.8 22.2 1.0 CA C:GLN62 3.9 25.4 1.0 N C:CYS64 4.1 31.2 1.0 C C:ASN61 4.2 24.3 1.0 C C:GLY63 4.2 29.5 1.0 NE2 C:GLN132 4.3 23.2 1.0 CA C:CYS64 4.3 31.7 1.0 CB C:ASP59 4.3 22.7 1.0 N C:LYS65 4.5 33.8 1.0 N C:GLY63 4.5 27.6 1.0 O C:GLY63 4.5 29.6 1.0 CB C:ASN61 4.5 23.5 1.0 O C:ASN61 4.5 24.2 1.0 CA C:LYS65 4.6 35.4 1.0 CB C:ASP67 4.7 27.5 1.0 OD2 A:ASP43 4.7 31.2 1.0 CA C:ASN61 4.7 23.9 1.0 CA C:GLY63 4.8 29.4 1.0 CB C:CYS64 4.8 33.6 1.0 N C:ASP67 4.8 28.3 1.0 O C:HOH2011 4.8 31.5 1.0 O C:ASP59 4.9 21.5 1.0 C C:LYS65 4.9 33.8 1.0 C C:ASP67 4.9 26.5 1.0 N C:ASN61 5.0 24.0 1.0

J.M.Bourhis, N.Mariano, Y.Zhao, K.Harlos, J.Exposito, E.Y.Jones, C.Moali, N.Aghajari, D.J.S.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