SMTL ID : 4bh0.1

H5 (tyTy) Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.36 Å

Oligo State

hetero-3-3-mer

Ligands

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose(Post Translational Modification)

GAL-SIA.1: 15 residues within 4Å: Chain A: Y.92, A.130, G.131, V.132, S.133, S.134, W.150, H.180, E.187, R.190, L.191, K.219, G.222, Q.223, G.225 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:S.134, A:K.219, A:Y.92, A:V.132, A:S.134, A:H.180, A:R.190, A:R.190, A:Q.223, A:Q.223, A:Q.223 Hydrophobic interactions: A:W.150 Water bridges: A:N.183

2 x NAG- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)(Non-functional Binders)

NAG-GAL-SIA.2: 15 residues within 4Å: Chain C: Y.92, A.130, V.132, S.133, S.134, W.150, I.152, H.180, N.183, E.187, L.191, K.219, G.222, Q.223, G.225 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:S.134, C:K.219, C:V.132, C:S.134, C:H.180, C:N.183, C:Q.223, C:Q.223 Water bridges: C:G.222, C:S.142, C:S.142 Hydrophobic interactions: C:W.150, C:I.152 NAG-GAL-SIA.3: 15 residues within 4Å: Chain E: Y.92, A.130, G.131, V.132, S.133, S.134, W.150, H.180, N.183, E.187, R.190, L.191, G.222, Q.223, G.225 8 PLIP interactions: 8 interactions with chain E Hydrogen bonds: E:G.222, E:V.132, E:S.134, E:N.183, E:E.187, E:R.190, E:Q.223, E:Q.223 Water bridges: E:K.219 Hydrophobic interactions: E:W.150

3 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)

NAG.4: 5 residues within 4Å: Chain A: N.166, N.237, D.238, A.239 Chain E: S.218 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.166, A:N.237, A:N.237 NAG.8: 4 residues within 4Å: Chain A: S.218 Chain C: N.166, N.237, A.239 6 PLIP interactions: 6 interactions with chain C Hydrophobic interactions: C:A.239 Hydrogen bonds: C:N.237 Water bridges: C:N.166, C:N.166, C:N.166, C:N.166 NAG.10: 5 residues within 4Å: Chain C: S.218 Chain E: N.166, N.237, D.238, A.239 3 PLIP interactions: 3 interactions with chain E Hydrophobic interactions: E:A.239 Hydrogen bonds: E:N.166, E:N.237

5 x PO4: PHOSPHATE ION(Non-functional Binders)(Post Translational Modification)

PO4.5: 6 residues within 4Å: Chain A: I.179, H.181, L.210, V.211, K.213, E.228 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:V.211, A:E.228 Salt bridges: A:H.181, A:K.213 PO4.6: 6 residues within 4Å: Chain A: S.122, W.123, S.124, D.125, H.126, R.163 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:S.122, A:S.124, A:D.125, A:D.125, A:H.126 Salt bridges: A:H.126, A:R.163 PO4.7: 8 residues within 4Å: Chain A: E.100, K.103, H.104, S.107, I.265 Chain B: G.67, R.68, E.69 6 PLIP interactions: 3 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:E.69, B:E.69, B:E.69, A:S.107, A:S.107 Water bridges: A:I.265 PO4.9: 6 residues within 4Å: Chain C: S.122, W.123, S.124, D.125, H.126, R.163 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:S.124, C:D.125, C:H.126 Salt bridges: C:H.126 PO4.11: 6 residues within 4Å: Chain E: S.122, W.123, S.124, D.125, H.126, R.163 6 PLIP interactions: 6 interactions with chain E Hydrogen bonds: E:S.124, E:D.125, E:H.126 Water bridges: E:R.163 Salt bridges: E:H.126, E:R.163

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Xiong, X. et al., Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus. Nature (2013)

Release Date

2013-04-24

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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