SMTL ID : 4cyw.1

Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin in complex with human receptor analog 6-SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 Å

Oligo State

hetero-3-3-mer

Ligands

3 x NAG- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-GAL-SIA.1: 11 residues within 4Å: Chain A: Y.89, G.126, T.127, T.128, K.129, W.145, H.177, E.184, Q.216, G.219, Q.220 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.216, A:Q.220, A:K.129, A:E.184, A:Q.220, A:Q.220 NAG-GAL-SIA.3: 11 residues within 4Å: Chain C: Y.89, T.127, T.128, K.129, W.145, H.177, E.184, Q.216, G.219, Q.220, G.222 10 PLIP interactions: 10 interactions with chain C Hydrogen bonds: C:Q.216, C:G.219, C:Y.89, C:T.127, C:T.128, C:K.129, C:H.177, C:Q.220, C:G.222 Hydrophobic interactions: C:W.145 Water bridges: C:T.127, C:N.137 NAG-GAL-SIA.5: 14 residues within 4Å: Chain E: Y.89, G.126, T.127, T.128, K.129, W.145, V.147, H.177, E.184, L.188, Q.216, G.219, Q.220, G.222 11 PLIP interactions: 11 interactions with chain E Hydrogen bonds: E:Q.216, E:Q.220, E:K.129, E:K.129, E:Y.89, E:T.127, E:K.129, E:H.177, E:Q.220, E:Q.220, E:G.222 Hydrophobic interactions: E:W.145, E:V.147 Water bridges: E:T.127, E:T.127

1 x NAG- NAG- BMA- MAN- MAN: alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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-MAN-MAN.2: 6 residues within 4Å: Chain A: R.294 Chain B: H.75, N.79, N.82 Chain C: E.105, R.257 No protein-ligand interaction detected (PLIP)

1 x NAG- NAG- BMA- BMA- MAN: beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-BMA-BMA-MAN.4: 5 residues within 4Å: Chain C: R.294 Chain D: H.75, N.79, N.82 Chain E: E.105 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:R.294

1 x NAG- NAG- BMA- MAN: alpha-D-mannopyranose-(1-3)-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-MAN.6: 5 residues within 4Å: Chain A: E.105 Chain F: H.75, G.78, N.79, N.82 No protein-ligand interaction detected (PLIP)

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

NAG.7: 4 residues within 4Å: Chain A: T.161, N.236 Chain E: P.215, Q.216 3 PLIP interactions: 2 interactions with chain A, 1 interactions with chain E Water bridges: A:N.236, A:N.236 Hydrogen bonds: E:Q.216 NAG.8: 2 residues within 4Å: Chain A: N.29, T.312 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.29 NAG.9: 4 residues within 4Å: Chain C: R.163, G.234, D.235, N.236 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:R.163 NAG.10: 5 residues within 4Å: Chain C: N.29, A.30, T.31, T.312 Chain D: L.52 2 PLIP interactions: 1 interactions with chain D, 1 interactions with chain C Hydrophobic interactions: D:L.52, C:T.312 NAG.11: 4 residues within 4Å: Chain E: R.163, G.234, D.235, N.236 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:R.163 NAG.12: 4 residues within 4Å: Chain E: N.29, A.30, T.31, T.312 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:N.29, E:T.31, E:T.312

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Vachieri, S.G. et al., Receptor Binding by H10 Influenza Viruses. Nature (2014)

Release Date

2014-06-11

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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