Bromine in PDB 4j5d: Human Cyclophilin D Complexed with An Inhibitor

All present enzymatic activity of Human Cyclophilin D Complexed with An Inhibitor:
5.2.1.8;

The structure of Human Cyclophilin D Complexed with An Inhibitor, PDB code: 4j5d was solved by M.Gelin, L.Colliandre, Y.Bessin, J.F.Guichou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.30 / 1.32
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.590, 56.590, 87.220, 90.00, 90.00, 90.00
R / Rfree (%)	12.3 / 16.3

The binding sites of Bromine atom in the Human Cyclophilin D Complexed with An Inhibitor (pdb code 4j5d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Human Cyclophilin D Complexed with An Inhibitor, PDB code: 4j5d:

Bromine binding site 1 out of 1 in the Human Cyclophilin D Complexed with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Cyclophilin D Complexed with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ X:Br301 b:9.8 occ:0.80 BR X:728301 0.0 9.8 0.8 CAZ X:728301 1.9 9.1 1.0 CAY X:728301 2.8 9.5 1.0 CAU X:728301 2.9 8.2 1.0 CAT X:728301 3.1 7.9 1.0 CAS X:728301 3.7 7.8 1.0 NE X:ARG97 3.8 8.4 0.9 CD X:ARG97 3.8 8.7 1.0 CZ X:ARG97 3.9 8.9 0.9 O X:HOH680 4.0 49.3 0.9 CE2 X:PHE102 4.0 10.2 1.0 CD1 X:ILE99 4.0 9.1 1.0 NH1 X:ARG97 4.1 8.2 0.9 CAV X:728301 4.1 9.1 1.0 CAX X:728301 4.2 8.4 1.0 O X:HOH670 4.5 13.9 0.5 NAP X:728301 4.5 7.8 1.0 NH2 X:ARG97 4.5 9.4 0.9 CZ X:PHE102 4.6 10.1 1.0 CAW X:728301 4.7 8.7 1.0 CA X:728301 4.8 7.2 1.0 CD2 X:PHE102 4.8 10.2 1.0 CAR X:728301 4.8 8.4 1.0 CE X:MET103 4.8 9.0 1.0 O X:HOH670 4.9 9.5 0.5

L.Colliandre, H.Hamed-Belkacem, M.Gelin, Y.Bessin, D.Douguet, W.Bourguet, J.M.Pawlotsky, J.F.Guichou. Rationnal Design of Small-Molecule Inhibitors of Human Cyclophilins and Hcv Replication. To Be Published.