Chlorine in PDB 4mrh: Crystal Structure of the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule

The structure of Crystal Structure of the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule, PDB code: 4mrh was solved by L.K.Liu, B.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.87 / 1.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.987, 81.744, 32.236, 90.00, 118.21, 90.00
R / Rfree (%)	16.9 / 18.4

The binding sites of Chlorine atom in the Crystal Structure of the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule (pdb code 4mrh). 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 the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule, PDB code: 4mrh:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule


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 the Murine CD44 Hyaluronan Binding Domain Complex with A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:26.6 occ:1.00 CL A:2CQ201 0.0 26.6 1.0 CAJ A:2CQ201 1.7 22.4 1.0 CAF A:2CQ201 2.7 24.0 1.0 CAG A:2CQ201 2.7 21.8 1.0 CAA A:2CQ201 3.0 18.3 1.0 CE2 A:PHE38 3.8 7.1 1.0 ND2 A:ASN125 3.8 13.7 1.0 CZ A:PHE38 3.9 9.4 1.0 CAI A:2CQ201 4.0 21.6 1.0 CAE A:2CQ201 4.0 23.1 1.0 CD A:ARG33 4.0 6.2 1.0 CB A:ASN125 4.0 7.8 1.0 NE A:ARG33 4.2 6.5 1.0 CG A:ASN125 4.3 9.3 1.0 O A:HOH312 4.3 11.2 1.0 CD2 A:PHE38 4.3 6.1 1.0 CG A:ARG33 4.4 7.3 1.0 CAH A:2CQ201 4.5 19.8 1.0 CE1 A:PHE38 4.7 8.4 1.0 O A:HOH365 4.7 20.4 1.0 OG A:SER62 4.8 8.8 1.0 CG2 A:VAL137 4.8 11.3 1.0 O A:PHE60 4.9 9.8 1.0

L.K.Liu, B.C.Finzel. Fragment-Based Identification of An Inducible Binding Site on Cell Surface Receptor CD44 For the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem. V. 57 2714 2014.
ISSN: ISSN 0022-2623
PubMed: 24606063
DOI: 10.1021/JM5000276