C3 exoenzyme from Clostridium botulinum: structure of a tetragonal crystal form and a reassessment of NAD-induced flexure

Evans, H.R.; Holloway, D.E.; Sutton, J.M.; Ayriss, J.; Shone, C.C.; Acharya, K.R.

doi:10.1107/S0907444904011680

Figure 1
(a) Schematic representation of C3bot1 (molecule A) from tetragonal crystals. Structural elements are coloured according to C^α B factor, ranging from 15.0 (blue) to 62.5 Å² (red) (mean = 29.3 Å²). (b) C3bot1–NAD complex. Structural elements of PDB entry 1gzf molecule A are coloured as in (a), ranging from 22.7 (blue) to 77.2 Å² (red) (mean = 33.1 Å²) and the nucleotide is shown in green in a ball-and-stick representation. (c) Superposition of the C^α traces from three apo C3bot1 structures. Shown in stereo are residues A45–A246 from tetragonal crystals (black), PDB entry 1g24 (red) and PDB entry 1gze (blue). (d) Superposition of the C^α traces from apo-C3bot1 and the C3bot1–NAD complex. Shown in stereo are residues A45–A246 from tetragonal crystals (black) and the C3bot1–NAD complex (PDB entry 1gzf ; green). (e) Superposition of the C^α traces from the C3bot1–NAD and C3bot1–ADP complexes. Shown in stereo are residues 45–246 from the C3bot1–NAD (PDB entry 1gzf , molecule A; green) and C3bot1–ADP (PDB entry 1gzf , molecule D; purple) complexes. Arrows denote the main-chain flexure that is necessary to convert the ADP-bound to the NAD-bound structure.

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 60| Part 8| July 2004| Pages 1502-1505

doi:10.1107/S0907444904011680

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