Chlorine in PDB 5drp: Structure of the Aalpxc/Lpc-023 Complex

The structure of Structure of the Aalpxc/Lpc-023 Complex, PDB code: 5drp was solved by J.Najeeb, C.-J.Lee, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.81 / 1.89
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.657, 50.419, 61.730, 80.26, 71.71, 88.90
R / Rfree (%)	15.6 / 19.2

The structure of Structure of the Aalpxc/Lpc-023 Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Structure of the Aalpxc/Lpc-023 Complex (pdb code 5drp). 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 Structure of the Aalpxc/Lpc-023 Complex, PDB code: 5drp:

Chlorine binding site 1 out of 1 in the Structure of the Aalpxc/Lpc-023 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Aalpxc/Lpc-023 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:33.0 occ:1.00 O B:HOH590 3.0 26.9 1.0 N B:SER59 3.1 27.8 1.0 C1 B:DMS404 3.2 79.5 1.0 N03 B:5EP402 3.3 26.9 1.0 C27 B:5EP402 3.6 35.9 1.0 CA B:HIS58 3.8 32.6 1.0 C05 B:5EP402 3.9 27.0 1.0 CA B:SER59 3.9 25.0 1.0 C B:HIS58 4.0 38.1 1.0 CB B:HIS58 4.0 39.2 1.0 CB B:HIS253 4.1 23.5 1.0 C26 B:5EP402 4.1 34.6 1.0 C02 B:5EP402 4.1 22.9 1.0 O04 B:5EP402 4.2 24.1 1.0 C2 B:DMS404 4.2 21.8 1.0 S B:DMS404 4.4 55.0 1.0 OG B:SER59 4.5 28.0 1.0 ND1 B:HIS58 4.5 59.1 1.0 O08 B:5EP402 4.6 27.7 1.0 O B:HOH571 4.7 26.7 1.0 CG B:HIS58 4.8 50.2 1.0 N B:HIS253 4.8 26.3 1.0 CB B:SER59 4.9 24.9 1.0 O B:DMS404 4.9 36.1 1.0 CA B:HIS253 4.9 22.8 1.0 CG B:HIS253 5.0 24.1 1.0 N06 B:5EP402 5.0 25.4 1.0

C.J.Lee, X.Liang, Q.Wu, J.Najeeb, J.Zhao, R.Gopalaswamy, M.Titecat, F.Sebbane, N.Lemaitre, E.J.Toone, P.Zhou. Drug Design From the Cryptic Inhibitor Envelope. Nat Commun V. 7 10638 2016.
ISSN: ESSN 2041-1723
PubMed: 26912110
DOI: 10.1038/NCOMMS10638