SMTL ID : 3cl4.1

Crystal structure of bovine coronavirus hemagglutinin-esterase

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-dimer

Ligands

2 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.1: 9 residues within 4Å: Chain A: K.169, S.203, Y.205, N.218, N.246, E.247 Chain B: F.207, I.214, I.244 No protein-ligand interaction detected (PLIP) NAG-NAG.8: 9 residues within 4Å: Chain A: F.207, I.214, I.244 Chain B: K.169, S.203, Y.205, N.218, N.246, E.247 No protein-ligand interaction detected (PLIP)

10 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG.2: 3 residues within 4Å: Chain A: N.283, A.286, V.287 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:A.286, A:V.287 Hydrogen bonds: A:N.283 NAG.3: 6 residues within 4Å: Chain A: F.69, N.71, T.73, T.126, F.127, N.129 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:T.73, A:T.126, A:F.127, A:F.127, A:N.129 Water bridges: A:N.71 NAG.4: 5 residues within 4Å: Chain A: F.1, Y.338, N.340, V.341 Chain B: D.358 No protein-ligand interaction detected (PLIP) NAG.5: 7 residues within 4Å: Chain A: D.272, R.274, N.283, A.286, N.298, S.299, T.300 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:N.283, A:A.286 Hydrogen bonds: A:D.272, A:N.298, A:T.300 NAG.6: 3 residues within 4Å: Chain A: N.36, S.38, V.306 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.38, A:V.306 NAG.9: 3 residues within 4Å: Chain B: N.283, A.286, V.287 3 PLIP interactions: 3 interactions with chain B Hydrophobic interactions: B:A.286, B:V.287 Hydrogen bonds: B:N.283 NAG.10: 6 residues within 4Å: Chain B: F.69, N.71, T.73, T.126, F.127, N.129 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:F.127, B:F.127, B:N.129 Water bridges: B:N.71 NAG.11: 5 residues within 4Å: Chain A: D.358 Chain B: F.1, Y.338, N.340, V.341 No protein-ligand interaction detected (PLIP) NAG.12: 7 residues within 4Å: Chain B: D.272, R.274, N.283, A.286, N.298, S.299, T.300 6 PLIP interactions: 6 interactions with chain B Hydrophobic interactions: B:N.283, B:A.286 Hydrogen bonds: B:D.272, B:R.274, B:N.298, B:T.300 NAG.13: 3 residues within 4Å: Chain B: N.36, S.38, V.306 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:S.38, B:V.306

2 x K: POTASSIUM ION(Non-covalent)

K.7: 6 residues within 4Å: Chain A: D.202, S.203, Q.204, S.245, E.247, L.249 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.202, A:S.203, A:S.245, A:L.249 K.14: 6 residues within 4Å: Chain B: D.202, S.203, Q.204, S.245, E.247, L.249 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.202, B:S.203, B:S.245, B:L.249

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Zeng, Q. et al., Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution. Proc.Natl.Acad.Sci.Usa (2008)

Release Date

2008-06-03

Peptides

Hemagglutinin-esterase: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

Hemagglutinin-esterase