SMTL ID : 3ubj.1 (1 other biounit)

Influenza hemagglutinin from the 2009 pandemic in complex with ligand LSTa

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.25 Å

Oligo State

hetero-3-3-mer

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: 8 residues within 4Å: Chain A: N.66, E.68, D.88, N.89, C.92, C.138, P.139, R.223 1 PLIP interactions: 1 interactions with chain A Water bridges: A:A.136 NAG-NAG.3: 2 residues within 4Å: Chain C: E.237 Chain E: N.89 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:E.237

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Non-covalent)

GAL-SIA.2: 13 residues within 4Å: Chain C: Y.93, K.132, G.133, V.134, T.135, A.136, K.144, W.152, H.182, P.184, L.193, D.224, Q.225 9 PLIP interactions: 9 interactions with chain C Hydrogen bonds: C:D.224, C:Q.225, C:V.134, C:T.135, C:A.136, C:K.144, C:K.144, C:Q.225, C:Q.225 Hydrophobic interactions: C:W.152 Water bridges: C:D.189

3 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)(Post Translational Modification)

NAG.4: 2 residues within 4Å: Chain A: N.278, N.289 No protein-ligand interaction detected (PLIP) NAG.5: 3 residues within 4Å: Chain D: E.150, N.154, T.156 2 PLIP interactions: 2 interactions with chain D Hydrophobic interactions: D:E.150 Hydrogen bonds: D:T.156 NAG.6: 2 residues within 4Å: Chain E: G.48, N.278 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.278

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Xu, R. et al., Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol. (2012)

Release Date

2011-11-23

Peptides

Hemagglutinin HA1: ACE
Hemagglutinin HA2: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

E
E

B
B

D
D

F
F

Hemagglutinin HA1

Hemagglutinin HA2

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