Bromine in PDB 8qv9: Hexameric Hiv-1 Ca in Complex with DDD01829021

The structure of Hexameric Hiv-1 Ca in Complex with DDD01829021, PDB code: 8qv9 was solved by A.P.Petit, P.K.Fyfe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.23 / 1.76
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.327, 90.327, 56.509, 90, 90, 120
R / Rfree (%)	20 / 24.6

The binding sites of Bromine atom in the Hexameric Hiv-1 Ca in Complex with DDD01829021 (pdb code 8qv9). 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 Hexameric Hiv-1 Ca in Complex with DDD01829021, PDB code: 8qv9:

Bromine binding site 1 out of 1 in the Hexameric Hiv-1 Ca in Complex with DDD01829021


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hexameric Hiv-1 Ca in Complex with DDD01829021 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:35.1 occ:0.69 BR01 A:WZL301 0.0 35.1 0.7 C02 A:WZL301 1.9 27.6 0.7 C07 A:WZL301 2.8 24.6 0.7 C03 A:WZL301 2.8 23.3 0.7 O A:HOH502 3.1 29.0 1.0 OD1 A:ASN57 3.2 19.3 1.0 N08 A:WZL301 3.3 25.1 0.7 O A:HOH449 3.3 18.6 1.0 O A:LEU56 3.6 15.5 1.0 C A:LEU56 3.8 15.2 1.0 CB A:MET66 3.9 18.4 1.0 CB A:LEU56 4.0 17.6 1.0 N A:ASN57 4.1 13.8 1.0 C06 A:WZL301 4.1 25.6 0.7 CA A:ASN57 4.1 15.7 1.0 C04 A:WZL301 4.1 25.4 0.7 O A:HOH549 4.1 41.1 1.0 SD A:MET66 4.1 29.1 1.0 CG A:MET66 4.2 22.9 1.0 CG A:ASN57 4.3 17.0 1.0 CE A:LYS70 4.4 33.8 1.0 CA A:LEU56 4.5 15.4 1.0 C05 A:WZL301 4.6 24.0 0.7 NZ A:LYS70 4.6 41.7 1.0 C09 A:WZL301 4.7 25.0 0.7 CB A:ASN57 4.8 15.3 1.0 CA A:MET66 4.9 17.1 1.0 O A:MET66 5.0 17.1 1.0

S.Lang, D.A.Fletcher, A.P.Petit, N.Luise, P.K.Fyfe, F.Zuccotto, D.Porter, D.Hope, F.Bellany, C.Kerr, C.J.Mackenzie, P.Wyatt, D.W.Gray. Application of An uc(Nmr)/Crystallography Fragment Screening Platform For the Assessment and Rapid Discovery of New Hiv-Ca Binding Fragments Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.12.01.569544