Zinc in PDB 6ht9: Mouse Fetuin-B in Complex with Crayfish Astacin

All present enzymatic activity of Mouse Fetuin-B in Complex with Crayfish Astacin:
3.4.24.21;

The structure of Mouse Fetuin-B in Complex with Crayfish Astacin, PDB code: 6ht9 was solved by F.X.Gomis-Ruth, T.Goulas, T.Guevara, A.Cuppari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.12 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.400, 85.800, 168.700, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27

The binding sites of Zinc atom in the Mouse Fetuin-B in Complex with Crayfish Astacin (pdb code 6ht9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Mouse Fetuin-B in Complex with Crayfish Astacin, PDB code: 6ht9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Mouse Fetuin-B in Complex with Crayfish Astacin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mouse Fetuin-B in Complex with Crayfish Astacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:64.2 occ:1.00 NE2 A:HIS92 2.1 58.8 1.0 NE2 A:HIS102 2.1 56.6 1.0 NE2 A:HIS96 2.1 62.8 1.0 OD1 B:ASP156 2.3 68.1 1.0 OD2 B:ASP156 2.3 68.6 1.0 OH A:TYR149 2.5 63.2 1.0 CG B:ASP156 2.6 67.1 1.0 CE1 A:HIS102 3.0 56.5 1.0 CD2 A:HIS92 3.0 59.5 1.0 CE1 A:HIS92 3.1 58.9 1.0 CD2 A:HIS96 3.1 62.7 1.0 CE1 A:HIS96 3.1 62.9 1.0 CD2 A:HIS102 3.1 57.1 1.0 CZ A:TYR149 3.5 62.7 1.0 CE1 A:TYR149 3.9 55.7 1.0 CB B:ASP156 4.1 63.5 1.0 CG A:HIS92 4.1 58.6 1.0 ND1 A:HIS102 4.1 58.0 1.0 ND1 A:HIS92 4.1 60.7 1.0 CG A:HIS102 4.2 56.4 1.0 CG A:HIS96 4.2 61.0 1.0 ND1 A:HIS96 4.2 63.6 1.0 CE2 A:TYR149 4.6 59.6 1.0 CE A:MET147 4.6 65.3 1.0 CB B:PRO155 4.7 64.8 1.0 OE2 A:GLU93 4.8 56.6 1.0 N B:ASP156 4.9 63.2 1.0 CA B:ASP156 5.0 62.3 1.0

Zinc binding site 2 out of 2 in the Mouse Fetuin-B in Complex with Crayfish Astacin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mouse Fetuin-B in Complex with Crayfish Astacin within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:72.5 occ:1.00 NE2 C:HIS102 2.1 68.2 1.0 NE2 C:HIS92 2.1 70.9 1.0 NE2 C:HIS96 2.1 72.5 1.0 OD1 D:ASP156 2.2 76.6 1.0 OD2 D:ASP156 2.2 73.4 1.0 OH C:TYR149 2.5 72.8 1.0 CG D:ASP156 2.5 74.5 1.0 CD2 C:HIS96 3.0 72.6 1.0 CE1 C:HIS92 3.0 70.9 1.0 CE1 C:HIS102 3.0 68.2 1.0 CD2 C:HIS92 3.1 71.2 1.0 CD2 C:HIS102 3.1 69.0 1.0 CE1 C:HIS96 3.2 72.4 1.0 CZ C:TYR149 3.5 74.6 1.0 CE1 C:TYR149 3.9 67.8 1.0 CB D:ASP156 4.0 72.0 1.0 ND1 C:HIS92 4.1 71.9 1.0 CG C:HIS92 4.2 69.9 1.0 CG C:HIS96 4.2 70.7 1.0 ND1 C:HIS102 4.2 69.8 1.0 CG C:HIS102 4.2 68.1 1.0 ND1 C:HIS96 4.3 72.9 1.0 OE2 C:GLU93 4.5 66.3 1.0 CE2 C:TYR149 4.6 71.3 1.0 CE C:MET147 4.7 74.2 1.0 N D:ASP156 4.7 72.0 1.0 CA D:ASP156 4.8 71.8 1.0 CB D:PRO155 4.8 72.3 1.0

A.Cuppari, H.Korschgen, D.Fahrenkamp, C.Schmitz, T.Guevara, K.Karmilin, M.Kuske, M.Olf, E.Dietzel, I.Yiallouros, D.De Sanctis, T.Goulas, R.Weiskirchen, W.Jahnen-Dechent, J.Floehr, W.Stoecker, L.Jovine, F.X.Gomis-Ruth. Structure of Mammalian Plasma Fetuin-B and Its Mechanism of Selective Metallopeptidase Inhibition. Iucrj V. 6 317 2019.
ISSN: ESSN 2052-2525
PubMed: 30867929
DOI: 10.1107/S2052252519001568