Chlorine in PDB 7jlj: Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene

The structure of Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene, PDB code: 7jlj was solved by S.D.Workman, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.41 / 3.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.501, 58.501, 161.858, 90, 90, 90
R / Rfree (%)	22.1 / 27.1

The binding sites of Chlorine atom in the Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene (pdb code 7jlj). 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 Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene, PDB code: 7jlj:

Chlorine binding site 1 out of 1 in the Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bacillus Subtilis Upps in Complex with Clomiphene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:64.2 occ:1.00 CL A:53Q301 0.0 64.2 1.0 C13 A:53Q301 1.8 59.7 1.0 C12 A:53Q301 2.7 61.9 1.0 C20 A:53Q301 2.8 70.2 1.0 C21 A:53Q301 3.0 78.7 1.0 C14 A:53Q301 3.0 50.3 1.0 C15 A:53Q301 3.3 49.5 1.0 C25 A:53Q301 3.7 73.6 1.0 CG2 A:VAL64 3.9 40.3 1.0 CE1 A:PHE155 4.0 42.9 1.0 C22 A:53Q301 4.0 74.8 1.0 CG A:PHE106 4.1 71.5 1.0 CD1 A:PHE106 4.1 58.7 1.0 CG A:MET61 4.1 61.6 1.0 C9 A:53Q301 4.2 60.3 1.0 C19 A:53Q301 4.2 59.2 1.0 CG1 A:VAL64 4.2 32.2 1.0 CB A:VAL64 4.3 46.2 1.0 CZ A:PHE155 4.3 53.5 1.0 CB A:PHE106 4.4 69.9 1.0 CD2 A:PHE106 4.4 57.7 1.0 CA A:MET61 4.5 67.1 1.0 CE1 A:PHE106 4.5 41.6 1.0 C24 A:53Q301 4.5 74.3 1.0 C16 A:53Q301 4.6 52.5 1.0 CB A:MET61 4.7 72.7 1.0 CD1 A:PHE155 4.7 36.2 1.0 C23 A:53Q301 4.7 65.2 1.0 CE2 A:PHE106 4.8 46.5 1.0 CZ A:PHE106 4.9 49.5 1.0 C10 A:53Q301 4.9 83.6 1.0 O A:MET61 4.9 61.1 1.0

S.D.Workman, J.Day, M.A.Farha, E.D.Brown, M.G.Organ, N.C.J.S.Strynadka. Structural Insight Into the Inhibition of Undecaprenyl Pyrophosphate Synthase From Gram Positive Bacteria To Be Published.