Chlorine in PDB 5k31: Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer

The structure of Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer, PDB code: 5k31 was solved by U.Sharma, D.J.S.Hulmes, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.07 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.820, 149.630, 105.950, 90.00, 101.68, 90.00
R / Rfree (%)	19.6 / 23.8

The structure of Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer (pdb code 5k31). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer, PDB code: 5k31:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:65.8 occ:1.00 OD1 B:ASP160 3.2 32.9 1.0 NZ B:LYS168 3.6 41.9 1.0 NE2 B:HIS200 3.9 37.4 1.0 CG B:ASP160 4.1 33.0 1.0 CG2 B:VAL156 4.1 30.0 1.0 CD2 B:HIS200 4.2 35.5 1.0 O B:HOH405 4.2 20.7 1.0 CE1 B:HIS200 4.2 36.6 1.0 OD2 B:ASP160 4.5 36.6 1.0 OD2 B:ASP228 4.6 27.5 1.0 ND1 B:HIS200 4.7 38.4 1.0 CG B:HIS200 4.7 37.2 1.0 CG B:GLN162 4.7 48.7 1.0 CE B:LYS168 4.8 38.9 1.0 CD B:LYS168 4.9 35.2 1.0 NE2 B:GLN162 4.9 58.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:31.8 occ:1.00 NH2 C:ARG39 2.9 42.8 1.0 NH2 F:ARG39 2.9 63.0 1.0 NH2 B:ARG39 3.1 66.1 1.0 CE2 C:PHE136 3.7 30.2 1.0 OE1 F:GLN62 3.7 59.8 1.0 CE2 F:PHE136 3.8 29.1 1.0 CZ C:ARG39 3.8 44.6 1.0 OE1 C:GLN62 3.8 54.3 1.0 CE2 B:PHE136 3.8 32.2 1.0 NH1 C:ARG39 3.8 42.2 1.0 CZ F:ARG39 3.9 56.8 1.0 NH1 F:ARG39 4.0 59.5 1.0 CZ B:ARG39 4.2 70.9 1.0 CD2 B:PHE136 4.3 30.3 1.0 CD2 F:PHE136 4.4 27.9 1.0 NH1 B:ARG39 4.4 74.2 1.0 CD2 C:PHE136 4.5 29.1 1.0 CZ C:PHE136 4.6 29.7 1.0 CD C:GLN62 4.7 53.8 1.0 OE1 B:GLN62 4.7 63.6 1.0 CZ F:PHE136 4.8 28.9 1.0 CD F:GLN62 4.9 52.3 1.0 CZ B:PHE136 4.9 31.7 1.0 NE C:ARG39 5.0 41.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Fibrillar Procollagen Type I C-Propeptide Homo-Trimer within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:25.2 occ:1.00 NH2 D:ARG39 2.9 43.7 1.0 CE2 D:PHE136 3.7 28.0 1.0 CZ D:ARG39 3.9 44.9 1.0 NH1 D:ARG39 4.0 44.4 1.0 CD2 D:PHE136 4.5 26.5 1.0 CZ D:PHE136 4.6 27.6 1.0 OE1 D:GLN62 4.8 47.3 1.0

U.Sharma, L.Carrique, S.Vadon-Le Goff, N.Mariano, R.N.Georges, F.Delolme, P.Koivunen, J.Myllyharju, C.Moali, N.Aghajari, D.J.Hulmes. Structural Basis of Homo- and Heterotrimerization of Collagen I. Nat Commun V. 8 14671 2017.
ISSN: ESSN 2041-1723
PubMed: 28281531
DOI: 10.1038/NCOMMS14671