The binding sites of Gallium atom in the structure of Periplasmic Ferric Siderophore Binding Protein Fhud Complexed With Gallichrome (pdb code 1efd). This binding sites where shown with 5.0 Angstroms radius around Gallium atom.
The 1efd structure was solved by T.E.CLARKE, S.-Y.KU, D.R.DOUGAN, H.J.VOGEL, L.W.TARI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-1.9 | | Space group | P63 | | a (A) | 86.540 | | b (A) | 86.540 | | c (A) | 91.770 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 120.00 | | Rfactor (%) | 21.8 | | Rfree (%) | 25 |
|
Gallium binding site 1 out of 1 in 1efd
| 
Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Gallium in the PDB 1efd. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Gallium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: N: Trp43, N: Trp68, N: Arg84, N: Trp273, N: Gcr503, N: Hoh303, N: Hoh304, N: Hoh318, | conact list:
| Atom | Atom | Distance (A) | | Ga | CZ3 N:Trp43 | 3.92 | | Ga | CH2 N:Trp43 | 4.27 | | Ga | CB N:Trp68 | 4.40 | | Ga | CD1 N:Trp68 | 3.62 | | Ga | CD2 N:Trp68 | 3.36 | | Ga | CE3 N:Trp68 | 3.94 | | Ga | CG N:Trp68 | 3.58 | | Ga | CZ3 N:Trp68 | 4.37 | | Ga | CZ2 N:Trp68 | 3.83 | | Ga | CE2 N:Trp68 | 3.29 | | Ga | NE1 N:Trp68 | 3.46 | | Ga | CH2 N:Trp68 | 4.31 | | Ga | NH2 N:Arg84 | 4.95 | | Ga | NH1 N:Arg84 | 4.39 | | Ga | CZ3 N:Trp273 | 3.96 | | Ga | CH2 N:Trp273 | 3.91 | | Ga | C18 N:Gcr503 | 4.53 | | Ga | C36 N:Gcr503 | 4.34 | | Ga | N5 N:Gcr503 | 2.54 | | Ga | O3 N:Gcr503 | 2.40 | | Ga | O10 N:Gcr503 | 1.53 | | Ga | C25 N:Gcr503 | 4.42 | | Ga | O14 N:Gcr503 | 4.73 | | Ga | GA N:Gcr503 | 0.00 | | Ga | C3 N:Gcr503 | 3.76 | | Ga | C30 N:Gcr503 | 3.18 | | Ga | O N:Hoh303 | 4.51 | | Ga | O N:Hoh304 | 4.44 | | Ga | O N:Hoh318 | 4.43 |
| interactive model:
|
|