Chlorine in PDB 2g55: Anomalous Substructure of Trypsin (P3121)

All present enzymatic activity of Anomalous Substructure of Trypsin (P3121):
3.4.21.4;

The structure of Anomalous Substructure of Trypsin (P3121), PDB code: 2g55 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 / 1.82
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.590, 54.590, 107.090, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 20.8

The structure of Anomalous Substructure of Trypsin (P3121) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Anomalous Substructure of Trypsin (P3121) (pdb code 2g55). 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 (P3121), PDB code: 2g55:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Anomalous Substructure of Trypsin (P3121)


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 (P3121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:19.8 occ:0.40 CG2 A:ILE226 3.1 34.8 1.0 O A:HOH364 3.4 22.4 1.0 ND2 A:ASN37 3.6 26.4 1.0 NE1 A:TRP40 4.2 24.4 1.0 CD1 A:TRP40 4.2 24.5 1.0 O A:ILE226 4.3 25.1 1.0 CG A:ASN37 4.5 26.0 1.0 CB A:ILE226 4.5 22.3 1.0 C A:ILE226 4.6 22.7 1.0 OD1 A:ASN37 4.8 23.6 1.0

Chlorine binding site 2 out of 3 in the Anomalous Substructure of Trypsin (P3121)


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 (P3121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:40.2 occ:0.30 OG A:SER183 2.7 29.9 1.0 OE1 A:GLN180 2.9 59.8 1.0 CB A:SER183 3.6 24.3 1.0 N A:GLY181 3.8 24.8 1.0 CA A:GLN180 4.0 26.8 1.0 CD A:GLN180 4.0 56.4 1.0 NE2 A:HIS46 4.1 29.2 1.0 O A:HOH413 4.3 29.2 1.0 CB A:GLN180 4.4 26.4 1.0 C A:GLN180 4.4 25.6 1.0 N A:SER183 4.7 24.0 1.0 CA A:SER183 4.8 23.5 1.0 CG A:GLN180 4.8 40.3 1.0 CA A:GLY181 4.8 24.9 1.0 CD2 A:HIS46 4.9 33.6 1.0 NE2 A:GLN180 4.9 61.9 1.0

Chlorine binding site 3 out of 3 in the Anomalous Substructure of Trypsin (P3121)


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 (P3121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:29.8 occ:0.25 O A:HOH426 4.3 36.0 1.0 CB A:SER164 4.7 27.6 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