 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 2]](dp5126fig2mag.jpg)
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Figure 2
Peptide–CotE interactions. Stereo images are shown with the pentapeptide ligand in ball-and-stick format. (a) The peptide with its associated electron density in maps calculated with coefficients 2mFo − DFc and contoured at 1σ. Residues are labelled using the single-letter code. (b) The pentapeptide ligand displayed as above, with surrounding protein residues in cylinder format (with three-letter code labels). Atoms are coloured by element type (O, red; N, blue; S, yellow; C in green for the ligand or light grey for the protein). Neighbouring water molecules are shown as red spheres. Polar interactions are denoted by dashed lines. (c) Superposition of the methylallosamidin ligand (blue C atoms) from the complex with human chitinase (PDB entry 1hkj; Rao et al., 2003  ) and the GPAMK ligand (green C atoms) from CotE. Selected conserved residues are shown and numbered as in CotE. The structures were displayed in CCP4mg (McNicholas et al., 2011) following SSM superposition, which gave a r.m.s.d. of 1.4 Å for 292 matching atoms. (d) The argadin (white; PDB entry 1waw; Rao et al., 2005), methylallosamidin (blue; PDB entry 1hkj; Rao et al., 2003) and chitobiose (coloured by atoms with C in grey and O in red; PDB entry 4wkh; Fadel et al., 2015) ligands from human chitinase structures superposed on the GPAMK ligand from CotE. The binding subsites −3, −2 and −1 are labelled. |
![[Figure 2]](dp5126fig2.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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