Calcium in PDB 2tcl: Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor

The structure of Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor, PDB code: 2tcl was solved by F.K.Winkler, N.Borkakoti, A.D'arcy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	86.960, 86.960, 40.960, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / n/a

The structure of Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor also contains other interesting chemical elements:

Samarium	(Sm)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Calcium atom in the Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor (pdb code 2tcl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor, PDB code: 2tcl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca173 b:7.0 occ:1.00 OE2 A:GLU101 2.2 12.4 1.0 O A:ASN80 2.2 12.9 1.0 OD2 A:ASP98 2.3 12.3 1.0 OD1 A:ASP75 2.3 21.1 1.0 O A:GLY78 2.3 15.4 1.0 O A:GLY76 2.4 15.7 1.0 C A:ASN80 3.3 13.7 1.0 CD A:GLU101 3.4 11.8 1.0 CG A:ASP98 3.4 12.8 1.0 CG A:ASP75 3.5 18.8 1.0 C A:GLY78 3.6 15.4 1.0 C A:GLY76 3.6 15.7 1.0 N A:ASN80 3.9 14.3 1.0 CB A:ASP98 4.0 10.7 1.0 N A:GLY78 4.0 15.7 1.0 N A:GLY76 4.1 16.3 1.0 OD2 A:ASP75 4.1 20.7 1.0 CA A:ASN80 4.2 14.7 1.0 OE1 A:GLU101 4.2 13.1 1.0 C A:GLY79 4.3 14.6 1.0 C A:ASP75 4.3 17.4 1.0 C A:PRO77 4.3 15.6 1.0 N A:ASP75 4.3 18.2 1.0 CG A:GLU101 4.3 11.6 1.0 N A:LEU81 4.3 12.9 1.0 CA A:GLY78 4.4 15.1 1.0 OD1 A:ASP98 4.4 12.9 1.0 CA A:LEU81 4.5 12.4 1.0 CA A:GLY76 4.5 15.6 1.0 N A:GLY79 4.5 15.4 1.0 N A:PRO77 4.6 15.6 1.0 CA A:ASP75 4.6 17.4 1.0 CB A:ASP75 4.6 17.0 1.0 CA A:PRO77 4.6 15.5 1.0 CA A:GLY79 4.6 14.9 1.0 O A:ASP75 4.8 17.6 1.0 CB A:ASN80 4.8 17.0 1.0 O A:PRO77 4.8 15.9 1.0 CD1 A:PHE74 4.9 16.5 1.0 O A:GLY79 4.9 14.5 1.0 CD2 A:LEU81 5.0 11.0 1.0

Calcium binding site 2 out of 2 in the Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca174 b:46.0 occ:1.00 O A:HOH201 2.2 41.1 1.0 O A:HOH240 2.2 17.8 1.0 O A:GLY92 2.3 20.6 1.0 O A:ASP58 2.4 18.2 1.0 O A:GLY90 2.6 21.6 1.0 OD1 A:ASP94 3.0 14.8 1.0 C A:GLY92 3.4 20.2 1.0 C A:ASP58 3.4 17.1 1.0 C A:GLY90 3.6 21.8 1.0 N A:GLY92 3.8 21.1 1.0 O A:ALA57 4.0 15.0 1.0 C A:ILE91 4.0 21.6 1.0 O A:GLY88 4.0 23.2 1.0 CG A:ASP94 4.1 17.0 1.0 CA A:ASP58 4.1 16.2 1.0 CA A:GLY92 4.1 20.4 1.0 CH2 A:TRP9 4.2 16.3 1.0 O A:ILE91 4.3 22.0 1.0 N A:ILE59 4.4 16.9 1.0 N A:ILE91 4.5 22.0 1.0 N A:GLY93 4.5 19.6 1.0 N A:ASP94 4.5 17.6 1.0 CA A:ILE91 4.5 21.9 1.0 OD2 A:ASP94 4.6 20.0 1.0 CA A:GLY90 4.6 21.4 1.0 N A:GLY90 4.6 21.3 1.0 CA A:ILE59 4.6 16.4 1.0 CA A:GLY93 4.7 18.6 1.0 O A:HOH181 4.7 38.1 1.0 O A:HOH182 4.8 14.4 1.0 C A:PRO89 4.8 22.0 1.0 C A:GLY93 4.8 18.1 1.0 C A:ALA57 4.9 15.6 1.0 O A:PRO89 5.0 22.5 1.0 N A:MET60 5.0 15.7 1.0

N.Borkakoti, F.K.Winkler, D.H.Williams, A.D'arcy, M.J.Broadhurst, P.A.Brown, W.H.Johnson, E.J.Murray. Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor. Nat.Struct.Biol. V. 1 106 1994.
ISSN: ISSN 1072-8368
PubMed: 7656013
DOI: 10.1038/NSB0294-106