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

Protein crystallography data

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

Other elements in 2tcl:

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
Calcium (Ca) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Catalytic Domain of Human Fibroblast Collagenase Complexed with An Inhibitor, PDB code: 2tcl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2tcl

Go back to Zinc Binding Sites List in 2tcl
Zinc 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 Zinc with other atoms in the Zn 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:Zn170

b:16.1
occ:1.00
NE2 A:HIS118 2.0 11.8 1.0
NE2 A:HIS122 2.0 13.6 1.0
O1 A:RO4175 2.1 13.8 1.0
NE2 A:HIS128 2.1 10.1 1.0
O2 A:RO4175 2.4 12.4 1.0
C8 A:RO4175 2.8 13.1 1.0
N6 A:RO4175 2.9 11.3 1.0
CE1 A:HIS118 3.0 9.6 1.0
CE1 A:HIS122 3.0 13.8 1.0
CE1 A:HIS128 3.1 9.1 1.0
CD2 A:HIS118 3.1 10.0 1.0
CD2 A:HIS122 3.1 13.2 1.0
CD2 A:HIS128 3.1 10.5 1.0
ND1 A:HIS118 4.1 9.3 1.0
ND1 A:HIS122 4.2 13.9 1.0
C9 A:RO4175 4.2 13.9 1.0
CG A:HIS118 4.2 9.9 1.0
ND1 A:HIS128 4.2 9.2 1.0
CG A:HIS122 4.2 12.8 1.0
CG A:HIS128 4.3 10.6 1.0
O A:HOH176 4.3 16.1 1.0
O A:HOH177 4.6 14.4 1.0
C10 A:RO4175 4.6 15.5 1.0
OE1 A:GLU119 4.7 19.0 1.0
C15 A:RO4175 4.8 14.9 1.0
OE2 A:GLU119 4.8 18.4 1.0
CE A:MET136 4.9 11.1 1.0

Zinc binding site 2 out of 2 in 2tcl

Go back to Zinc Binding Sites List in 2tcl
Zinc 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 Zinc with other atoms in the Zn 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:Zn172

b:17.6
occ:1.00
NE2 A:HIS68 1.9 14.5 1.0
NE2 A:HIS83 2.0 14.2 1.0
ND1 A:HIS96 2.0 15.1 1.0
OD2 A:ASP70 2.0 24.5 1.0
CD2 A:HIS68 2.8 14.4 1.0
CE1 A:HIS68 2.9 14.8 1.0
CG A:ASP70 2.9 23.9 1.0
CE1 A:HIS96 2.9 15.3 1.0
CE1 A:HIS83 2.9 13.2 1.0
CD2 A:HIS83 3.0 14.3 1.0
CG A:HIS96 3.1 14.6 1.0
OD1 A:ASP70 3.2 23.4 1.0
CB A:HIS96 3.5 12.3 1.0
CG A:HIS68 4.0 16.6 1.0
ND1 A:HIS68 4.0 15.8 1.0
ND1 A:HIS83 4.1 12.9 1.0
NE2 A:HIS96 4.1 15.2 1.0
CG A:HIS83 4.2 13.4 1.0
CD2 A:HIS96 4.2 15.5 1.0
CB A:ASP70 4.3 25.2 1.0
CE2 A:PHE74 4.6 16.2 1.0
CE1 A:PHE85 4.7 24.9 1.0
O A:SER72 4.7 23.4 1.0
CZ A:PHE74 4.9 15.8 1.0
CZ A:PHE85 5.0 26.6 1.0
CA A:HIS96 5.0 12.4 1.0

Reference:

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
Page generated: Wed Dec 16 03:53:22 2020

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