Chlorine in PDB 1bju: Beta-Trypsin Complexed with Acpu

All present enzymatic activity of Beta-Trypsin Complexed with Acpu:
3.4.21.4;

The structure of Beta-Trypsin Complexed with Acpu, PDB code: 1bju was solved by S.Presnell, G.Patil, C.Mura, K.Jude, J.Conley, C.Kam, J.Bertrand, J.Powers, L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.840, 58.490, 67.830, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / n/a

The structure of Beta-Trypsin Complexed with Acpu also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Beta-Trypsin Complexed with Acpu (pdb code 1bju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Beta-Trypsin Complexed with Acpu, PDB code: 1bju:

Chlorine binding site 1 out of 1 in the Beta-Trypsin Complexed with Acpu


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Beta-Trypsin Complexed with Acpu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl910 b:30.6 occ:1.00 CL A:GP6910 0.0 30.6 1.0 C12 A:GP6910 1.7 27.2 1.0 C13 A:GP6910 2.7 28.4 1.0 C11 A:GP6910 2.7 25.5 1.0 O A:HOH666 3.2 29.9 1.0 O A:HOH686 3.9 41.8 1.0 C14 A:GP6910 4.0 27.2 1.0 O A:HOH532 4.0 14.4 1.0 C10 A:GP6910 4.0 24.8 1.0 CB A:HIS57 4.3 7.5 1.0 CD2 A:LEU99 4.4 10.6 1.0 O A:SER96 4.4 12.4 1.0 OH A:TYR94 4.4 5.9 1.0 C9 A:GP6910 4.5 24.9 1.0 CG A:HIS57 4.9 8.6 1.0

S.R.Presnell, G.S.Patil, C.Mura, K.M.Jude, J.M.Conley, J.A.Bertrand, C.M.Kam, J.C.Powers, L.D.Williams. Oxyanion-Mediated Inhibition of Serine Proteases. Biochemistry V. 37 17068 1998.
ISSN: ISSN 0006-2960
PubMed: 9836602
DOI: 10.1021/BI981636U