Calcium in PDB 5iku: Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution

The structure of Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution, PDB code: 5iku was solved by K.Janowska, R.Bauer, R.Roeser, J.Sakon, O.Matsushita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.03 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.520, 54.710, 92.040, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19.6

The binding sites of Calcium atom in the Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution (pdb code 5iku). 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 of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution, PDB code: 5iku:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution


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 the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2001 b:39.4 occ:1.00 OD1 A:ASN903 2.4 36.1 1.0 O A:ARG929 2.4 38.7 1.0 OE2 A:GLU901 2.4 41.0 1.0 OD1 A:ASP930 2.4 34.7 1.0 OD1 A:ASP927 2.4 45.5 1.0 OD2 A:ASP904 2.4 41.6 1.0 OE1 A:GLU901 2.7 36.0 1.0 CD A:GLU901 2.9 40.2 1.0 CG A:ASP927 3.4 46.5 1.0 C A:ARG929 3.5 40.5 1.0 CG A:ASP930 3.6 37.1 1.0 CG A:ASN903 3.6 39.4 1.0 OD2 A:ASP927 3.6 41.4 1.0 CG A:ASP904 3.7 48.1 1.0 CA A:CA2002 3.7 38.8 1.0 CA A:ASP930 3.8 35.1 1.0 N A:ASP930 4.1 34.7 1.0 O A:HOH2103 4.1 53.9 1.0 N A:ASN903 4.2 39.3 1.0 C A:ASN903 4.2 44.0 1.0 N A:ASP904 4.2 40.1 1.0 CB A:ASP930 4.2 34.0 1.0 ND2 A:ASN903 4.4 37.5 1.0 OD1 A:ASP904 4.4 44.4 1.0 CG A:GLU901 4.4 35.2 1.0 CA A:ASP904 4.4 44.3 1.0 O A:ASN903 4.5 40.6 1.0 OE1 A:GLU899 4.5 34.8 1.0 O A:HOH2211 4.5 43.8 1.0 OD2 A:ASP930 4.6 39.2 1.0 CA A:ASN903 4.6 37.6 1.0 CB A:ASP904 4.7 47.4 1.0 CA A:ARG929 4.7 37.6 1.0 N A:ARG929 4.7 40.4 1.0 CB A:ASN903 4.7 39.8 1.0 O A:HOH2145 4.8 70.8 1.0 CB A:ASP927 4.8 45.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution


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 the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2002 b:38.8 occ:1.00 O A:SER922 2.3 36.9 1.0 OD2 A:ASP927 2.4 41.4 1.0 OE2 A:GLU901 2.4 41.0 1.0 OD1 A:ASP930 2.4 34.7 1.0 OE2 A:GLU899 2.5 35.5 1.0 O A:HOH2209 2.5 46.7 1.0 OE1 A:GLU899 2.6 34.8 1.0 OD2 A:ASP930 2.7 39.2 1.0 CD A:GLU899 2.8 35.5 1.0 CG A:ASP930 2.9 37.1 1.0 CG A:ASP927 3.4 46.5 1.0 C A:SER922 3.5 35.5 1.0 CD A:GLU901 3.6 40.2 1.0 CA A:CA2001 3.7 39.4 1.0 OD1 A:ASP927 3.8 45.5 1.0 O A:HOH2144 3.9 45.5 1.0 N A:SER922 4.0 35.0 1.0 CG A:GLU901 4.2 35.2 1.0 CB A:ASP930 4.3 34.0 1.0 CG A:GLU899 4.4 34.2 1.0 CD2 A:LEU923 4.4 36.8 1.0 CA A:SER922 4.4 40.6 1.0 N A:LEU923 4.5 39.9 1.0 OG A:SER922 4.5 49.5 1.0 OD1 A:ASN903 4.5 36.1 1.0 OE1 A:GLU901 4.6 36.0 1.0 O A:HOH2275 4.6 79.8 1.0 O A:HOH2138 4.6 52.7 1.0 CA A:LEU923 4.6 39.8 1.0 CB A:ASP927 4.7 45.6 1.0 OH A:TYR1002 4.7 32.6 1.0 CG A:LEU923 4.9 36.2 1.0 ND2 A:ASN903 4.9 37.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution


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 the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2003 b:35.1 occ:1.00 OD2 A:ASP785 2.1 36.3 1.0 OD1 A:ASP811 2.3 33.6 1.0 O A:ALA810 2.4 32.8 1.0 OD1 A:ASP808 2.4 33.9 1.0 OD1 A:ASN784 2.5 34.7 1.0 OE2 A:GLU782 2.5 40.0 1.0 OE1 A:GLU782 2.5 37.3 1.0 CD A:GLU782 2.9 39.8 1.0 CG A:ASP808 3.3 38.4 1.0 CG A:ASP785 3.4 42.7 1.0 C A:ALA810 3.5 34.0 1.0 OD2 A:ASP808 3.5 41.1 1.0 CG A:ASP811 3.6 32.8 1.0 CG A:ASN784 3.6 34.8 1.0 CA A:CA2004 3.8 35.7 1.0 CA A:ASP811 3.9 31.5 1.0 O A:HOH2131 4.0 71.7 1.0 N A:ASP811 4.1 29.5 1.0 OD1 A:ASP785 4.1 58.1 1.0 N A:ASN784 4.2 36.2 1.0 ND2 A:ASN784 4.2 33.8 1.0 O A:HOH2183 4.3 56.6 1.0 C A:ASN784 4.3 36.4 1.0 CB A:ASP811 4.3 26.9 1.0 CG A:GLU782 4.4 37.1 1.0 CA A:ASP785 4.4 39.2 1.0 N A:ASP785 4.4 36.4 1.0 OD2 A:ASP811 4.5 30.4 1.0 CB A:ASP785 4.5 40.1 1.0 OE1 A:GLU780 4.5 35.0 1.0 O A:ASN784 4.5 36.1 1.0 N A:ALA810 4.6 33.1 1.0 CA A:ASN784 4.7 32.3 1.0 CA A:ALA810 4.7 30.0 1.0 CB A:ASP808 4.7 39.0 1.0 CB A:ASN784 4.7 31.9 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2004 b:35.7 occ:1.00 OE2 A:GLU782 2.3 40.0 1.0 OD2 A:ASP808 2.4 41.1 1.0 O A:ASP803 2.4 34.6 1.0 OE1 A:GLU780 2.4 35.0 1.0 OD2 A:ASP811 2.4 30.4 1.0 OE2 A:GLU780 2.5 35.8 1.0 O A:HOH2180 2.5 42.1 1.0 OD1 A:ASP811 2.6 33.6 1.0 CD A:GLU780 2.8 35.3 1.0 CG A:ASP811 2.8 32.8 1.0 CG A:ASP808 3.5 38.4 1.0 CD A:GLU782 3.5 39.8 1.0 C A:ASP803 3.6 40.6 1.0 CA A:CA2003 3.8 35.1 1.0 OD1 A:ASP808 4.0 33.9 1.0 O A:HOH2119 4.0 57.3 1.0 N A:ASP803 4.1 35.1 1.0 CG A:GLU782 4.2 37.1 1.0 CG A:GLU780 4.3 37.9 1.0 CB A:ASP811 4.3 26.9 1.0 OD1 A:ASP803 4.4 51.0 1.0 CD2 A:LEU804 4.4 35.5 1.0 OE1 A:GLU782 4.5 37.3 1.0 CA A:ASP803 4.5 39.6 1.0 N A:LEU804 4.6 35.5 1.0 OH A:TYR885 4.6 35.7 1.0 CA A:LEU804 4.6 38.2 1.0 ND2 A:ASN784 4.6 33.8 1.0 O A:HOH2258 4.7 82.5 1.0 O A:HOH2287 4.7 75.4 1.0 OD1 A:ASN784 4.7 34.7 1.0 CB A:ASP808 4.7 39.0 1.0 O A:HOH2156 5.0 51.6 1.0

K.Janowska, R.Bauer, R.Roeser, J.Sakon, O.Matsushita. Crystal Structure of the Clostridium Histolyticum Colg Tandem Collagen-Binding Domain S3AS3B in the Presence of Calcium at 1.9 Angstrom Resolution To Be Published.