Chlorine in PDB 4df2: P. Stipitis OYE2.6 Complexed with P-Chlorophenol

The structure of P. Stipitis OYE2.6 Complexed with P-Chlorophenol, PDB code: 4df2 was solved by Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.86 / 2.02
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.736, 127.736, 123.646, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 19.8

The structure of P. Stipitis OYE2.6 Complexed with P-Chlorophenol also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol (pdb code 4df2). 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 P. Stipitis OYE2.6 Complexed with P-Chlorophenol, PDB code: 4df2:

Chlorine binding site 1 out of 1 in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P. Stipitis OYE2.6 Complexed with P-Chlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:27.3 occ:0.46 CL9 A:4CH506 0.0 27.3 0.5 C4 A:4CH506 1.7 26.7 0.5 C5 A:4CH506 2.7 23.5 0.5 C3 A:4CH506 2.7 31.7 0.5 O1B A:MLA503 3.0 30.4 0.5 OH A:TYR374 3.3 34.5 1.0 CE1 A:TYR374 3.4 27.5 1.0 C2 A:MLA503 3.4 24.1 0.5 C1 A:MLA503 3.6 30.0 0.5 C6 A:FMN501 3.6 23.9 1.0 CZ A:TYR374 3.7 34.8 1.0 C5A A:FMN501 3.8 24.9 1.0 N5 A:FMN501 3.9 25.4 1.0 CB A:THR35 3.9 24.6 1.0 C6 A:4CH506 4.0 29.2 0.5 C2 A:4CH506 4.0 28.3 0.5 O A:HOH805 4.1 56.6 1.0 CG2 A:THR35 4.2 25.8 1.0 C7 A:FMN501 4.3 28.5 1.0 ND2 A:ASN293 4.3 37.2 1.0 CD1 A:TYR374 4.4 32.2 1.0 C1 A:4CH506 4.5 24.9 0.5 OG1 A:THR35 4.5 24.6 1.0 C9A A:FMN501 4.6 24.1 1.0 C4A A:FMN501 4.7 25.6 1.0 C3 A:MLA503 4.7 25.9 0.5 O1A A:MLA503 4.8 24.9 0.5 O A:THR35 4.8 22.8 1.0 C7M A:FMN501 4.8 25.6 1.0 CE2 A:TYR374 5.0 33.8 1.0 C8 A:FMN501 5.0 25.6 1.0 O A:HOH987 5.0 28.6 0.7

Y.A.Pompeu, B.Sullivan, A.Walton, J.D.Stewart. Structural and Catalytic Characterization of Pichia Stipitis Oye 2.6, A Useful Biocatalyst For Asymmetric Alkene Reductions Adv.Synth.Catal. 2012.
ISSN: ESSN 1615-4169
DOI: 10.1002/ADSC.201200213