Zinc in PDB 1xuf: Trypsin-Babim-Zn+2, pH 8.2

All present enzymatic activity of Trypsin-Babim-Zn+2, pH 8.2:
3.4.21.4;

The structure of Trypsin-Babim-Zn+2, pH 8.2, PDB code: 1xuf was solved by B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Rose, C.Luong, W.R.Moore, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.800, 58.700, 67.600, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 22.9

The structure of Trypsin-Babim-Zn+2, pH 8.2 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Trypsin-Babim-Zn+2, pH 8.2 (pdb code 1xuf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Trypsin-Babim-Zn+2, pH 8.2, PDB code: 1xuf:

Zinc binding site 1 out of 1 in the Trypsin-Babim-Zn+2, pH 8.2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Trypsin-Babim-Zn+2, pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn246 b:13.9 occ:1.00 ZN A:BAZ246 0.0 13.9 1.0 NE2 A:HIS57 1.9 5.7 1.0 N3' A:BAZ246 1.9 14.8 1.0 OG A:SER195 2.1 9.0 1.0 N3 A:BAZ246 2.3 12.4 1.0 CB A:SER195 2.7 6.2 1.0 CE1 A:HIS57 2.7 3.6 1.0 C4' A:BAZ246 2.9 18.8 1.0 C8' A:BAZ246 3.0 17.5 1.0 CD2 A:HIS57 3.0 4.7 1.0 C8 A:BAZ246 3.2 12.0 1.0 C4 A:BAZ246 3.3 10.8 1.0 C3' A:BAZ246 3.4 19.9 1.0 C9 A:BAZ246 3.4 13.3 1.0 C3 A:BAZ246 3.7 8.4 1.0 H A:GLY193 3.8 0.0 1.0 CA A:SER195 3.9 5.2 1.0 ND1 A:HIS57 3.9 7.3 1.0 O A:SER214 4.0 4.1 1.0 CG A:HIS57 4.0 4.3 1.0 C5' A:BAZ246 4.1 20.2 1.0 N4' A:BAZ246 4.1 19.4 1.0 H A:SER195 4.1 0.0 1.0 O A:HOH273 4.2 13.3 1.0 C5 A:BAZ246 4.4 11.3 1.0 N4 A:BAZ246 4.4 13.4 1.0 N A:SER195 4.5 2.0 1.0 H1 A:HOH273 4.6 0.0 1.0 HD1 A:HIS57 4.7 0.0 1.0 N A:GLY193 4.7 13.5 1.0 C2' A:BAZ246 4.8 21.2 1.0 CA A:GLN192 4.8 13.2 1.0 HN4' A:BAZ246 5.0 0.0 1.0

B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud. Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors. Nature V. 391 608 1998.
ISSN: ISSN 0028-0836
PubMed: 9468142
DOI: 10.1038/35422