Bromine in PDB 5y13: Crystal Structure of Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid

The structure of Crystal Structure of Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid, PDB code: 5y13 was solved by H.X.Su, Q.F.Liu, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.99 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.690, 53.640, 75.360, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.9

The binding sites of Bromine atom in the Crystal Structure of Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid (pdb code 5y13). 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 Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid, PDB code: 5y13:

Bromine binding site 1 out of 1 in the Crystal Structure of Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid


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 Human FABP4 Complexed with Ligand 5-((4- Bromonaphthalene)-1-Sulfonamido)Pentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:51.8 occ:1.00 BRAE A:8K0201 0.0 51.8 1.0 CAR A:8K0201 2.0 24.1 1.0 CAH A:8K0201 2.8 21.5 1.0 O A:HOH381 2.9 15.2 1.0 CAT A:8K0201 3.0 19.2 1.0 CAJ A:8K0201 3.4 24.1 1.0 O A:ALA33 3.8 15.8 1.0 CD2 A:PHE57 3.8 19.4 1.0 CB A:ALA33 3.8 14.5 1.0 O A:HOH319 4.1 22.7 1.0 CE2 A:PHE57 4.1 21.0 1.0 CE2 A:PHE16 4.1 12.5 1.0 CAI A:8K0201 4.2 23.3 1.0 CA A:ALA33 4.3 13.9 1.0 NH2 A:ARG126 4.3 20.2 1.0 CAU A:8K0201 4.3 20.7 1.0 C A:ALA33 4.3 13.5 1.0 CZ A:PHE16 4.5 14.5 1.0 CB A:ALA36 4.7 15.5 1.0 CAF A:8K0201 4.7 23.0 1.0 CAS A:8K0201 4.8 18.1 1.0 CB A:ALA75 4.8 18.1 1.0 CG A:PHE57 4.8 20.4 1.0

D.D.Gao, H.X.Dou, H.X.Su, M.M.Zhang, T.Wang, Q.F.Liu, H.Y.Cai, H.P.Ding, Z.Yang, W.L.Zhu, Y.C.Xu, H.Y.Wang, Y.X.Li. From Hit to Lead: Structure-Based Discovery of Naphthalene-1-Sulfonamide Derivatives As Potent and Selective Inhibitors of Fatty Acid Binding Protein 4 Eur J Med Chem V. 154 44 2018.
ISSN: ISSN 1768-3254
PubMed: 29775936
DOI: 10.1016/J.EJMECH.2018.05.007