Chlorine in PDB 2x1c: The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum

All present enzymatic activity of The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum:
2.3.1.164;

The structure of The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum, PDB code: 2x1c was solved by M.Bokhove, H.Yoshida, C.M.H.Hensgens, J.M.Van Der Laan, J.D.Sutherland, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.80 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.225, 68.233, 151.277, 90.00, 129.57, 90.00
R / Rfree (%)	16.919 / 19.288

The binding sites of Chlorine atom in the The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum (pdb code 2x1c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum, PDB code: 2x1c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1362 b:16.7 occ:0.50 O B:HOH2209 3.1 20.8 1.0 N B:VAL341 3.3 19.6 1.0 O B:HOH2210 3.3 41.0 1.0 CA B:PHE340 3.6 19.1 1.0 CB B:PHE340 3.8 18.6 1.0 C B:PHE340 4.0 19.2 1.0 O B:VAL341 4.3 22.1 1.0 CA B:VAL341 4.4 20.6 1.0 O B:HOH2098 4.5 45.7 1.0 CB B:VAL341 4.5 21.6 1.0 O B:HOH2040 4.6 33.3 1.0 O B:MET339 4.7 19.4 1.0 CG2 B:VAL341 4.8 23.3 1.0 C B:VAL341 4.8 20.4 1.0 N B:PHE340 4.9 18.4 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Precursor Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1363 b:50.2 occ:0.50 CD B:ARG343 3.8 32.6 1.0 NH1 B:ARG343 4.2 41.2 1.0 CG B:ARG343 4.5 25.5 1.0 NE B:ARG343 4.7 36.8 1.0 CZ B:ARG343 4.9 39.7 1.0 O B:HOH2211 4.9 34.2 1.0

M.Bokhove, H.Yoshida, C.M.H.Hensgens, J.M.Van Der Laan, J.D.Sutherland, B.W.Dijkstra. Structures of An Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles For the Active Site Residues of Precursor and Mature Enzyme. Structure V. 18 301 2010.
ISSN: ISSN 0969-2126
PubMed: 20223213
DOI: 10.1016/J.STR.2010.01.005