SMTL ID : 3hmg.1

REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.90 Å

Oligo State

hetero-3-3-mer

Ligands

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

NAG-NAG-BMA.1: 5 residues within 4Å: Chain A: N.165, T.167 Chain E: S.219, P.221, W.222 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:W.222 NAG-NAG-BMA.2: 6 residues within 4Å: Chain A: T.187, S.219, P.221, W.222 Chain C: N.165, T.167 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:W.222 NAG-NAG-BMA.3: 5 residues within 4Å: Chain C: S.219, P.221, W.222 Chain E: N.165, T.167 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:W.222

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

NAG.4: 5 residues within 4Å: Chain A: N.38, A.39, T.40, T.318 Chain B: L.52 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.38 NAG.5: 4 residues within 4Å: Chain A: Q.80, N.81, F.120, I.121 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.81 NAG.6: 4 residues within 4Å: Chain A: S.45, N.285, V.297, N.298 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.285, A:V.297, A:N.298 NAG.7: 5 residues within 4Å: Chain B: A.147, E.150, S.151, N.154, T.156 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:T.156 Hydrogen bonds: B:T.156 NAG.8: 5 residues within 4Å: Chain C: N.38, A.39, T.40, T.318 Chain D: L.52 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:N.38, C:T.318 NAG.9: 4 residues within 4Å: Chain C: Q.80, N.81, F.120, I.121 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.81 NAG.10: 4 residues within 4Å: Chain C: S.45, N.285, V.297, N.298 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.285, C:V.297, C:N.298 NAG.11: 5 residues within 4Å: Chain D: A.147, E.150, S.151, N.154, T.156 2 PLIP interactions: 2 interactions with chain D Hydrophobic interactions: D:T.156 Hydrogen bonds: D:E.150 NAG.12: 5 residues within 4Å: Chain E: N.38, A.39, T.40, T.318 Chain F: L.52 2 PLIP interactions: 2 interactions with chain E Hydrogen bonds: E:N.38, E:T.318 NAG.13: 4 residues within 4Å: Chain E: Q.80, N.81, F.120, I.121 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.81 NAG.14: 4 residues within 4Å: Chain E: S.45, N.285, V.297, N.298 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:N.285, E:V.297, E:N.298 NAG.15: 5 residues within 4Å: Chain F: A.147, E.150, S.151, N.154, T.156 1 PLIP interactions: 1 interactions with chain F Hydrophobic interactions: F:T.156

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Weis, W.I. et al., Refinement of the influenza virus hemagglutinin by simulated annealing. J.Mol.Biol. (1990)

Release Date

1991-01-15

Peptides

HEMAGGLUTININ: ACE
HEMAGGLUTININ: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

E
E

B
B

D
D

F
F

HEMAGGLUTININ

HEMAGGLUTININ

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