SMTL ID : 1hgi.1

BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.70 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: 10 residues within 4Å: Chain A: N.165, V.166, T.167, R.207, V.242, V.244 Chain E: S.219, P.221, W.222, S.227 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain E Hydrophobic interactions: A:V.242 Hydrogen bonds: E:W.222 NAG-NAG-BMA.2: 12 residues within 4Å: Chain A: T.187, S.219, R.220, P.221, W.222, S.227 Chain C: N.165, V.166, T.167, R.207, V.242, V.244 2 PLIP interactions: 1 interactions with chain C, 1 interactions with chain A Hydrophobic interactions: C:V.242 Hydrogen bonds: A:W.222 NAG-NAG-BMA.3: 10 residues within 4Å: Chain C: S.219, P.221, W.222, S.227 Chain E: N.165, V.166, T.167, R.207, V.242, V.244 2 PLIP interactions: 1 interactions with chain E, 1 interactions with chain C Hydrophobic interactions: E:V.242 Hydrogen bonds: C:W.222

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

NAG.4: 6 residues within 4Å: Chain A: N.38, A.39, T.40, T.318 Chain B: N.49, L.52 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.38, A:T.318, A:T.318 NAG.5: 5 residues within 4Å: Chain A: Q.80, N.81, F.120, I.121, R.150 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.81 NAG.6: 7 residues within 4Å: Chain A: S.45, S.46, S.47, N.285, N.296, V.297, N.298 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:V.297 Hydrogen bonds: A:N.285, A:V.297, A:N.298 NAG.8: 5 residues within 4Å: Chain B: A.147, E.150, S.151, N.154, T.156 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:E.150 NAG.9: 6 residues within 4Å: Chain C: N.38, A.39, T.40, T.318 Chain D: N.49, L.52 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.38, C:T.318, C:T.318 NAG.10: 5 residues within 4Å: Chain C: Q.80, N.81, F.120, I.121, R.150 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.81 NAG.11: 7 residues within 4Å: Chain C: S.45, S.46, S.47, N.285, N.296, V.297, N.298 4 PLIP interactions: 4 interactions with chain C Hydrophobic interactions: C:V.297 Hydrogen bonds: C:N.285, C:V.297, C:N.298 NAG.13: 5 residues within 4Å: Chain D: A.147, E.150, S.151, N.154, T.156 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:E.150 NAG.14: 6 residues within 4Å: Chain E: N.38, A.39, T.40, T.318 Chain F: N.49, L.52 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:N.38, E:T.318, E:T.318 NAG.15: 5 residues within 4Å: Chain E: Q.80, N.81, F.120, I.121, R.150 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.81 NAG.16: 7 residues within 4Å: Chain E: S.45, S.46, S.47, N.285, N.296, V.297, N.298 3 PLIP interactions: 3 interactions with chain E Hydrophobic interactions: E:V.297 Hydrogen bonds: E:N.285, E:N.298 NAG.18: 5 residues within 4Å: Chain F: A.147, E.150, S.151, N.154, T.156 No protein-ligand interaction detected (PLIP)

3 x ANA: methyl 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid(Non-covalent)

ANA.7: 15 residues within 4Å: Chain A: Y.98, G.134, G.135, S.136, N.137, A.138, S.145, W.153, T.155, H.183, S.186, E.190, L.194, L.226, S.228 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:W.153 Hydrogen bonds: A:G.135, A:S.136, A:N.137, A:S.145, A:H.183, A:E.190, A:S.228 ANA.12: 15 residues within 4Å: Chain C: Y.98, G.134, G.135, S.136, N.137, A.138, S.145, W.153, T.155, H.183, S.186, E.190, L.194, L.226, S.228 8 PLIP interactions: 8 interactions with chain C Hydrophobic interactions: C:W.153 Hydrogen bonds: C:Y.98, C:G.135, C:S.136, C:N.137, C:H.183, C:E.190, C:S.228 ANA.17: 15 residues within 4Å: Chain E: Y.98, G.134, G.135, S.136, N.137, A.138, S.145, W.153, T.155, H.183, S.186, E.190, L.194, L.226, S.228 8 PLIP interactions: 8 interactions with chain E Hydrophobic interactions: E:W.153 Hydrogen bonds: E:Y.98, E:G.135, E:S.136, E:N.137, E:H.183, E:E.190, E:S.228

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Sauter, N.K. et al., Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry (1992)

Release Date

1994-01-31

Peptides

HEMAGGLUTININ, CHAIN HA1: ACE
HEMAGGLUTININ, CHAIN HA1: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

E
E

B
B

D
D

F
F

HEMAGGLUTININ, CHAIN HA1

HEMAGGLUTININ, CHAIN HA1

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