Bromine in the structure of Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Nitrosospira Multiformis. Northeast Structural Genomics Consortium Target Id NMR42 (pdb 3hno)

The binding sites of Bromine atom in the structure of Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Nitrosospira Multiformis. Northeast Structural Genomics Consortium Target Id NMR42 (pdb code 3hno). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3hno structure was solved by J.SEETHARAMAN, M ABASHIDZE, S.SAHDEV, H.JANJUA, R.XIAO, C.CICCOSANTI, E.L.FOOTE, T.B.ACTON, B.ROST, G.T.MONTELIONE, J.F.HUNT, L.TONG, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM(NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.5-2.0 Space group C121 a (A) 211.895 b (A) 89.322 c (A) 115.462 alpha (°) 90.00 beta (°) 119.12 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 24.1 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3hno Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3hno. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Gly328, C: His329, C: Asn330, C: Val332, D: Gly328, D: His329, D: Asn330, D: Val332, conact list: Atom Atom Distance (A) Br O C:Gly328 4.87 Br N C:His329 4.76 Br CB C:His329 3.55 Br ND1 C:His329 3.22 Br C C:His329 3.81 Br CE1 C:His329 4.37 Br CG C:His329 3.81 Br CA C:His329 3.48 Br O C:Asn330 3.43 Br N C:Asn330 3.11 Br CB C:Asn330 4.76 Br C C:Asn330 4.20 Br CA C:Asn330 4.15 Br CG1 C:Val332 3.98 Br O D:Gly328 4.86 Br N D:His329 4.78 Br CB D:His329 3.50 Br ND1 D:His329 3.22 Br C D:His329 3.87 Br CE1 D:His329 4.37 Br CG D:His329 3.77 Br CA D:His329 3.50 Br O D:Asn330 3.50 Br N D:Asn330 3.21 Br CB D:Asn330 4.85 Br C D:Asn330 4.29 Br CA D:Asn330 4.26 Br CG1 D:Val332 3.95 interactive model: