Chlorine in PDB 4hdk: Crystal Structure of Arsab in Complex with Phloroglucinol

All present enzymatic activity of Crystal Structure of Arsab in Complex with Phloroglucinol:
2.4.2.21;

The structure of Crystal Structure of Arsab in Complex with Phloroglucinol, PDB code: 4hdk was solved by S.A.Newmister, C.H.Chan, J.C.Escalante-Semerena, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.778, 77.365, 152.388, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Arsab in Complex with Phloroglucinol (pdb code 4hdk). 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 Arsab in Complex with Phloroglucinol, PDB code: 4hdk:

Chlorine binding site 1 out of 1 in the Crystal Structure of Arsab in Complex with Phloroglucinol


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 Arsab in Complex with Phloroglucinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:37.5 occ:1.00 NH2 A:ARG130 2.7 20.6 0.5 N A:HIS129 3.0 16.6 1.0 CD2 A:HIS129 3.6 19.8 1.0 CB A:HIS129 3.7 17.2 1.0 CZ A:ARG130 3.7 18.5 0.5 O A:LEU127 3.7 17.6 1.0 CA A:TRP128 3.8 15.5 1.0 CA A:HIS129 3.8 16.6 1.0 C A:TRP128 3.8 17.1 1.0 NH1 A:ARG130 3.8 19.9 0.5 CG A:HIS129 3.9 19.6 1.0 O A:HIS129 4.0 17.9 1.0 C A:HIS129 4.3 17.3 1.0 O A:HOH904 4.4 31.4 1.0 C A:LEU127 4.6 18.8 1.0 CB A:TRP128 4.7 16.4 1.0 N A:TRP128 4.7 16.3 1.0 NE2 A:HIS129 4.8 20.4 1.0 NE A:ARG130 4.8 15.3 0.5 O A:TRP128 5.0 15.8 1.0

S.A.Newmister, C.H.Chan, J.C.Escalante-Semerena, I.Rayment. Structural Insights Into the Function of the Nicotinate Mononucleotide:Phenol/P-Cresol Phosphoribosyltransferase (Arsab) Enzyme From Sporomusa Ovata. Biochemistry V. 51 8571 2012.
ISSN: ISSN 0006-2960
PubMed: 23039029
DOI: 10.1021/BI301142H