Chlorine in PDB 2g51: Anomalous Substructure of Trypsin (P1)

All present enzymatic activity of Anomalous Substructure of Trypsin (P1):
3.4.21.4;

The structure of Anomalous Substructure of Trypsin (P1), PDB code: 2g51 was solved by C.Mueller-Dieckmann, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.84
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	32.900, 36.800, 39.630, 102.46, 104.97, 102.16
R / Rfree (%)	16 / 21.6

The binding sites of Chlorine atom in the Anomalous Substructure of Trypsin (P1) (pdb code 2g51). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Anomalous Substructure of Trypsin (P1), PDB code: 2g51:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Anomalous Substructure of Trypsin (P1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anomalous Substructure of Trypsin (P1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl240 b:14.8 occ:0.50 O A:HOH295 2.9 24.4 1.0 NE2 A:HIS90 3.3 21.3 1.0 N A:PHE234 3.3 20.8 1.0 CB A:PHE234 3.6 23.3 1.0 CB A:SER233 3.9 22.0 1.0 CA A:PHE234 4.0 21.8 1.0 CA A:LEU231 4.0 25.4 1.0 O A:LEU231 4.1 22.8 1.0 C A:LEU231 4.1 24.1 1.0 N A:SER233 4.2 20.9 1.0 C A:SER233 4.2 21.3 1.0 CD2 A:HIS90 4.2 17.2 1.0 CE1 A:HIS90 4.2 21.4 1.0 CA A:SER233 4.3 21.4 1.0 CD2 A:LEU231 4.5 27.6 1.0 OG A:SER233 4.6 25.8 1.0 O A:ALA230 4.6 29.6 1.0 CB A:LEU231 4.7 26.6 1.0 N A:ARG232 4.8 23.2 1.0 CG A:PHE234 4.9 21.4 1.0

Chlorine binding site 2 out of 3 in the Anomalous Substructure of Trypsin (P1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anomalous Substructure of Trypsin (P1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl241 b:17.1 occ:0.25 OG A:SER184 2.6 37.1 1.0 N A:SER184 3.6 24.0 1.0 CB A:SER184 3.8 25.6 1.0 N A:SER185 3.9 24.4 1.0 CA A:SER184 4.2 25.2 1.0 CB A:VAL183 4.2 25.0 1.0 OG A:SER185 4.4 29.4 1.0 CB A:SER185 4.4 26.8 1.0 C A:VAL183 4.4 22.1 1.0 CA A:VAL183 4.6 23.2 1.0 C A:SER184 4.6 25.4 1.0 CA A:SER185 4.8 25.7 1.0 CG1 A:VAL183 4.9 26.6 1.0

Chlorine binding site 3 out of 3 in the Anomalous Substructure of Trypsin (P1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anomalous Substructure of Trypsin (P1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl242 b:16.6 occ:0.25 O A:HOH364 4.2 28.6 1.0

C.Mueller-Dieckmann, S.Panjikar, A.Schmidt, S.Mueller, J.Kuper, A.Geerlof, M.Wilmanns, R.K.Singh, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624