SMTL ID : 4bgy.1

H5 (VN1194) Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.68 Å

Oligo State

hetero-3-3-mer

Ligands

9 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: 2 residues within 4Å: Chain A: K.22, N.23 No protein-ligand interaction detected (PLIP) NAG-NAG.2: 3 residues within 4Å: Chain A: N.165, N.236 Chain C: S.217 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.236 NAG-NAG.4: 4 residues within 4Å: Chain B: E.147, E.150, N.154, T.156 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:E.147 NAG-NAG.6: 2 residues within 4Å: Chain C: K.22, N.23 No protein-ligand interaction detected (PLIP) NAG-NAG.7: 3 residues within 4Å: Chain C: N.165, N.236 Chain E: S.217 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.236 NAG-NAG.9: 4 residues within 4Å: Chain D: E.147, E.150, N.154, T.156 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:E.147 NAG-NAG.11: 2 residues within 4Å: Chain E: K.22, N.23 No protein-ligand interaction detected (PLIP) NAG-NAG.12: 3 residues within 4Å: Chain A: S.217 Chain E: N.165, N.236 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.236 NAG-NAG.14: 4 residues within 4Å: Chain F: E.147, E.150, N.154, T.156 1 PLIP interactions: 1 interactions with chain F Hydrogen bonds: F:E.147

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

NAG-GAL-SIA.3: 13 residues within 4Å: Chain A: Y.91, L.129, G.130, V.131, S.132, S.133, W.149, H.179, N.182, E.186, L.190, Q.222, G.224 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:Q.222, A:Q.222, A:V.131, A:S.133, A:H.179, A:Q.222, A:Q.222 Hydrophobic interactions: A:W.149 NAG-GAL-SIA.8: 13 residues within 4Å: Chain C: Y.91, L.129, G.130, V.131, S.132, S.133, W.149, H.179, N.182, E.186, L.190, Q.222, G.224 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:Q.222, C:Q.222, C:V.131, C:S.133, C:H.179, C:Q.222, C:Q.222 Hydrophobic interactions: C:W.149 NAG-GAL-SIA.13: 13 residues within 4Å: Chain E: Y.91, L.129, G.130, V.131, S.132, S.133, W.149, H.179, N.182, E.186, L.190, Q.222, G.224 6 PLIP interactions: 6 interactions with chain E Hydrogen bonds: E:Q.222, E:Q.222, E:V.131, E:S.133, E:H.179, E:Q.222, E:Q.222 Hydrophobic interactions: E:W.149

3 x EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID(Non-functional Binders)

EPE.5: 6 residues within 4Å: Chain A: C.4 Chain B: W.14, H.25, Y.34, N.135, C.137 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:N.135 Salt bridges: B:H.25 EPE.10: 6 residues within 4Å: Chain C: C.4 Chain D: W.14, H.25, Y.34, N.135, C.137 2 PLIP interactions: 2 interactions with chain D Hydrogen bonds: D:N.135 Salt bridges: D:H.25 EPE.15: 6 residues within 4Å: Chain E: C.4 Chain F: W.14, H.25, Y.34, N.135, C.137 2 PLIP interactions: 2 interactions with chain F Hydrogen bonds: F:N.135 Salt bridges: F:H.25

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
A

E
A

B
B

D
B

F
B

HEMAGGLUTININ

HEMAGGLUTININ

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