Chlorine in PDB 7cjk: Complex Structure of Athppd with Inhibitor Y18093

All present enzymatic activity of Complex Structure of Athppd with Inhibitor Y18093:
1.13.11.27;

The structure of Complex Structure of Athppd with Inhibitor Y18093, PDB code: 7cjk was solved by H.Y.Lin, G.F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.86 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.242, 84.046, 62.685, 90, 100.33, 90
R / Rfree (%)	18.7 / 21.5

The structure of Complex Structure of Athppd with Inhibitor Y18093 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Complex Structure of Athppd with Inhibitor Y18093 (pdb code 7cjk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Complex Structure of Athppd with Inhibitor Y18093, PDB code: 7cjk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Complex Structure of Athppd with Inhibitor Y18093


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Athppd with Inhibitor Y18093 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:29.1 occ:1.00 CL1 A:G0X501 0.0 29.1 1.0 C13 A:G0X501 1.8 32.1 1.0 C8 A:G0X501 2.7 30.5 1.0 C12 A:G0X501 2.7 34.7 1.0 N17 A:G0X501 2.9 39.4 1.0 C9 A:G0X501 3.0 27.4 1.0 O A:HOH706 3.3 32.5 1.0 CE1 A:HIS308 3.4 23.7 1.0 O27 A:G0X501 3.4 27.3 1.0 CZ A:PHE392 3.4 22.3 1.0 ND1 A:HIS308 3.5 19.6 1.0 CE1 A:PHE381 3.6 27.6 1.0 CE2 A:PHE392 3.6 22.7 1.0 O28 A:G0X501 3.7 29.3 1.0 C5 A:G0X501 3.8 24.4 1.0 OE1 A:GLN307 3.9 23.6 1.0 N7 A:G0X501 4.0 32.1 1.0 C11 A:G0X501 4.0 40.1 1.0 CZ A:PHE381 4.1 29.6 1.0 C4 A:G0X501 4.1 27.4 1.0 NE2 A:HIS308 4.1 21.4 1.0 C19 A:G0X501 4.2 37.2 1.0 CD1 A:PHE381 4.2 26.0 1.0 NE2 A:GLN307 4.3 23.3 1.0 CD A:GLN307 4.3 22.4 1.0 CG A:HIS308 4.3 18.2 1.0 C10 A:G0X501 4.4 36.9 1.0 C20 A:G0X501 4.6 37.4 1.0 CD2 A:HIS308 4.6 21.5 1.0 CE1 A:PHE392 4.7 19.8 1.0 C6 A:G0X501 4.8 24.0 1.0 CO A:CO502 4.9 20.5 1.0 CE2 A:PHE381 5.0 25.4 1.0 CD2 A:PHE392 5.0 20.6 1.0

Chlorine binding site 2 out of 4 in the Complex Structure of Athppd with Inhibitor Y18093


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Structure of Athppd with Inhibitor Y18093 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:44.3 occ:1.00 CL2 A:G0X501 0.0 44.3 1.0 C10 A:G0X501 1.8 36.9 1.0 N7 A:G0X501 2.7 32.1 1.0 C11 A:G0X501 2.8 40.1 1.0 CL3 A:G0X501 3.1 47.4 1.0 O A:GLY420 3.1 38.2 1.0 CB A:ASN423 3.5 41.1 1.0 C8 A:G0X501 3.9 30.5 1.0 O A:HOH751 3.9 37.2 1.0 C A:GLY420 4.0 36.9 1.0 OE1 A:GLN379 4.0 29.2 1.0 C12 A:G0X501 4.0 34.7 1.0 CE2 A:PHE424 4.2 42.4 1.0 CZ A:PHE424 4.2 41.1 1.0 CA A:GLY420 4.3 32.3 1.0 N A:PHE424 4.3 44.6 1.0 CD2 A:PHE424 4.4 45.3 1.0 CE1 A:PHE424 4.4 45.0 1.0 C A:ASN423 4.4 47.5 1.0 C13 A:G0X501 4.4 32.1 1.0 CA A:ASN423 4.4 41.9 1.0 CG A:PHE424 4.6 45.4 1.0 CD1 A:PHE424 4.6 48.8 1.0 CD A:GLN379 4.6 29.9 1.0 CE2 A:PHE381 4.6 25.4 1.0 NE2 A:GLN379 4.6 26.3 1.0 CG A:ASN423 4.6 40.9 1.0 ND2 A:ASN423 4.7 37.6 1.0 CZ A:PHE381 4.7 29.6 1.0 N A:ASN423 4.8 43.2 1.0 O A:PHE419 4.9 27.8 1.0 CD1 A:LEU427 4.9 51.0 1.0 O A:ASN423 5.0 47.7 1.0

Chlorine binding site 3 out of 4 in the Complex Structure of Athppd with Inhibitor Y18093


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex Structure of Athppd with Inhibitor Y18093 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:47.4 occ:1.00 CL3 A:G0X501 0.0 47.4 1.0 C11 A:G0X501 1.8 40.1 1.0 C10 A:G0X501 2.7 36.9 1.0 C12 A:G0X501 2.8 34.7 1.0 CL2 A:G0X501 3.1 44.3 1.0 N17 A:G0X501 3.3 39.4 1.0 C19 A:G0X501 3.3 37.2 1.0 N7 A:G0X501 4.0 32.1 1.0 CE1 A:PHE424 4.0 45.0 1.0 CD1 A:LEU427 4.0 51.0 1.0 C13 A:G0X501 4.0 32.1 1.0 CE2 A:PHE381 4.3 25.4 1.0 CD1 A:PHE424 4.4 48.8 1.0 CZ A:PHE424 4.5 41.1 1.0 C8 A:G0X501 4.5 30.5 1.0 CZ A:PHE381 4.8 29.6 1.0 C20 A:G0X501 4.8 37.4 1.0 CD2 A:PHE381 4.8 28.3 1.0

Chlorine binding site 4 out of 4 in the Complex Structure of Athppd with Inhibitor Y18093


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex Structure of Athppd with Inhibitor Y18093 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:45.3 occ:1.00 CL4 A:G0X501 0.0 45.3 1.0 C23 A:G0X501 1.8 39.2 1.0 C24 A:G0X501 2.7 34.0 1.0 C22 A:G0X501 2.8 43.9 1.0 CD1 A:PHE392 3.8 20.7 1.0 CD A:PRO384 3.8 19.7 1.0 CG A:PRO384 3.8 23.6 1.0 C25 A:G0X501 4.0 36.9 1.0 C21 A:G0X501 4.1 45.1 1.0 CE1 A:PHE392 4.2 19.8 1.0 O A:HOH721 4.3 28.8 1.0 SD A:MET335 4.3 38.5 1.0 CG A:PHE392 4.4 18.8 1.0 CE A:MET335 4.5 40.6 1.0 C20 A:G0X501 4.6 37.4 1.0 N A:PRO384 4.6 20.1 1.0 CB A:PHE392 4.7 18.9 1.0 O A:THR382 4.8 21.4 1.0 NE2 A:GLN293 4.8 52.0 1.0 O A:HOH781 5.0 44.4 1.0 CZ A:PHE392 5.0 22.3 1.0

H.Y.Lin, G.F.Yang. Complex Structure of Athppd with Inhibitor Y18093 To Be Published.