Zinc in PDB 1xug: 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: 1xug 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 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.720, 63.500, 68.970, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 22.6

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 1xug). 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: 1xug:

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:Zn409 b:27.4 occ:1.00 N3 A:BAB246 2.3 29.5 1.0 OG A:SER195 2.4 17.4 1.0 N3' A:BAB246 2.4 38.2 0.4 HB3 A:SER195 2.4 13.5 1.0 NE2 A:HIS57 2.4 13.2 1.0 CB A:SER195 2.8 13.1 1.0 H3 A:BAB246 3.2 23.9 1.0 C8 A:BAB246 3.2 32.5 1.0 C4 A:BAB246 3.3 25.4 1.0 C8' A:BAB246 3.3 37.5 0.4 H3' A:BAB246 3.3 44.8 0.4 CD2 A:HIS57 3.3 12.1 1.0 CE1 A:HIS57 3.3 11.7 1.0 C4' A:BAB246 3.4 42.3 0.4 HB2 A:SER195 3.5 13.8 1.0 C9 A:BAB246 3.5 35.3 1.0 HE1 A:HIS57 3.5 12.0 1.0 HD2 A:HIS57 3.5 11.7 1.0 H92 A:BAB246 3.5 35.0 1.0 HA A:GLN192 3.6 20.2 1.0 C3 A:BAB246 3.6 23.3 1.0 C3' A:BAB246 3.7 44.5 0.4 H A:GLY193 3.9 15.5 1.0 HA A:SER195 3.9 8.3 1.0 CA A:SER195 3.9 7.9 1.0 O A:SER214 3.9 14.5 1.0 H A:SER195 4.2 7.4 1.0 N4 A:BAB246 4.4 29.7 1.0 C5 A:BAB246 4.4 26.0 1.0 ND1 A:HIS57 4.4 13.9 1.0 HG3 A:GLN192 4.4 34.5 1.0 N4' A:BAB246 4.5 40.1 0.4 CG A:HIS57 4.5 11.1 1.0 C5' A:BAB246 4.5 42.6 0.4 N A:SER195 4.5 7.7 1.0 H91 A:BAB246 4.6 35.2 1.0 CA A:GLN192 4.6 20.3 1.0 N A:GLY193 4.8 15.0 1.0 HG13 A:VAL213 4.8 5.5 1.0 HA A:TRP215 4.9 7.7 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