Zinc in PDB 2ayk: Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure

All present enzymatic activity of Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure:
3.4.24.7;

The structure of Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure (pdb code 2ayk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure, PDB code: 2ayk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn170 b:0.4 occ:1.00 NE2 A:HIS122 2.0 0.4 1.0 NE2 A:HIS118 2.1 0.3 1.0 NE2 A:HIS128 2.1 0.5 1.0 CE1 A:HIS118 2.9 0.4 1.0 CE1 A:HIS122 2.9 0.5 1.0 CD2 A:HIS122 3.1 0.3 1.0 HE1 A:HIS118 3.1 0.5 1.0 CE1 A:HIS128 3.1 0.9 1.0 CD2 A:HIS128 3.2 0.6 1.0 HE1 A:HIS122 3.2 0.7 1.0 CD2 A:HIS118 3.2 0.3 1.0 HE1 A:HIS128 3.3 1.4 1.0 HD2 A:HIS122 3.3 0.4 1.0 HD2 A:HIS128 3.4 1.1 1.0 HD2 A:HIS118 3.5 0.5 1.0 ND1 A:HIS122 4.1 0.5 1.0 ND1 A:HIS118 4.1 0.4 1.0 CG A:HIS122 4.2 0.3 1.0 CG A:HIS118 4.2 0.3 1.0 ND1 A:HIS128 4.3 1.1 1.0 CG A:HIS128 4.3 0.5 1.0 HE2 A:MET136 4.4 1.2 1.0 HD1 A:HIS122 5.0 0.7 1.0 HD1 A:HIS118 5.0 0.6 1.0

Zinc binding site 2 out of 2 in the Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase, uc(Nmr), Minimized Average Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn171 b:0.5 occ:1.00 NE2 A:HIS68 2.0 0.7 1.0 NE2 A:HIS83 2.1 0.5 1.0 ND1 A:HIS96 2.1 0.3 1.0 OD2 A:ASP70 2.2 2.3 1.0 CE1 A:HIS83 2.9 0.8 1.0 CD2 A:HIS68 2.9 0.6 1.0 HE1 A:HIS83 3.0 1.3 1.0 CE1 A:HIS96 3.0 0.3 1.0 HB2 A:HIS96 3.0 0.4 1.0 HD2 A:HIS68 3.1 0.7 1.0 CE1 A:HIS68 3.1 0.6 1.0 HE1 A:HIS96 3.1 0.4 1.0 CG A:HIS96 3.2 0.3 1.0 CG A:ASP70 3.3 1.5 1.0 CD2 A:HIS83 3.3 0.8 1.0 HE1 A:HIS68 3.4 0.7 1.0 CB A:HIS96 3.4 0.3 1.0 HB3 A:HIS96 3.5 0.4 1.0 HD2 A:HIS83 3.7 1.5 1.0 HE1 A:PHE85 3.7 0.4 1.0 HB2 A:ASP70 3.8 1.1 1.0 HG23 A:VAL64 3.9 1.1 1.0 HZ A:PHE85 3.9 0.5 1.0 CB A:ASP70 4.0 0.6 1.0 HB3 A:ASP70 4.0 1.1 1.0 CG A:HIS68 4.1 0.5 1.0 NE2 A:HIS96 4.1 0.3 1.0 ND1 A:HIS83 4.1 0.9 1.0 OD1 A:ASP70 4.1 2.2 1.0 ND1 A:HIS68 4.2 0.5 1.0 CD2 A:HIS96 4.2 0.2 1.0 CG A:HIS83 4.3 0.3 1.0 CE1 A:PHE85 4.4 0.4 1.0 CZ A:PHE85 4.5 0.4 1.0 HE2 A:PHE74 4.6 0.6 1.0 HG12 A:VAL64 4.8 1.0 1.0 CG2 A:VAL64 4.9 0.3 1.0 HZ A:PHE74 4.9 0.5 1.0 CA A:HIS96 4.9 0.2 1.0 HG22 A:VAL64 5.0 1.0 1.0 HD1 A:HIS83 5.0 1.6 1.0 HE2 A:HIS96 5.0 0.3 1.0

F.J.Moy, P.K.Chanda, S.Cosmi, M.R.Pisano, C.Urbano, J.Wilhelm, R.Powers. High-Resolution Solution Structure of the Inhibitor-Free Catalytic Fragment of Human Fibroblast Collagenase Determined By Multidimensional uc(Nmr). Biochemistry V. 37 1495 1998.
ISSN: ISSN 0006-2960
PubMed: 9484219
DOI: 10.1021/BI972181W