Bromine in PDB 5ea4: Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein

The structure of Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 5ea4 was solved by M.B.Battles, J.S.Mclellan, E.Arnoult, D.Roymans, J.P.Langedijk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.60 / 2.30
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	168.370, 168.370, 168.370, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.4

The binding sites of Bromine atom in the Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein (pdb code 5ea4). 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 Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 5ea4:

Bromine binding site 1 out of 1 in the Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Inhibitor Jnj-49153390 in Complex with Prefusion Rsv F Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ F:Br607 b:27.1 occ:0.33 BR3 F:5NM607 0.0 27.1 0.3 C23 F:5NM607 1.9 36.0 0.3 C16 F:5NM607 2.9 35.6 0.3 C28 F:5NM607 2.9 35.8 0.3 O F:THR397 3.0 32.4 1.0 CA F:ASP486 3.8 50.2 1.0 OD1 F:ASP486 3.8 62.9 1.0 CB F:SER398 4.0 34.7 1.0 C F:THR397 4.0 32.9 1.0 C F:ASP486 4.1 49.0 1.0 O F:GLU487 4.1 37.9 1.0 N F:GLU487 4.2 45.9 1.0 C18 F:5NM607 4.3 35.8 0.3 C F:GLU487 4.3 39.0 1.0 SD F:MET396 4.4 52.9 1.0 C09 F:5NM607 4.4 36.6 0.3 N F:ASP486 4.4 46.8 1.0 CG F:ASP486 4.6 63.0 1.0 CA F:SER398 4.6 34.1 1.0 N F:PHE488 4.6 36.4 1.0 CA F:PHE488 4.7 36.7 1.0 N F:THR397 4.7 30.9 1.0 O F:ASP486 4.8 50.2 1.0 N F:SER398 4.8 33.5 1.0 CB F:PHE488 4.8 38.8 1.0 CB F:MET396 4.8 27.5 1.0 CB F:ASP486 4.8 58.0 1.0 CD1 F:PHE488 4.9 43.7 1.0 C11 F:5NM607 4.9 38.1 0.3 CG F:MET396 4.9 28.5 1.0 CA F:GLU487 4.9 44.8 1.0

M.B.Battles, J.P.Langedijk, P.Furmanova-Hollenstein, S.Chaiwatpongsakorn, H.M.Costello, L.Kwanten, L.Vranckx, P.Vink, S.Jaensch, T.H.Jonckers, A.Koul, E.Arnoult, M.E.Peeples, D.Roymans, J.S.Mclellan. Molecular Mechanism of Respiratory Syncytial Virus Fusion Inhibitors. Nat.Chem.Biol. V. 12 87 2016.
ISSN: ESSN 1552-4469
PubMed: 26641933
DOI: 10.1038/NCHEMBIO.1982