SMTL ID : 4bsg.1

Crystal Structure of an H7N3 Avian Influenza Virus Haemagglutinin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

hetero-3-3-mer

Ligands

3 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)(Non-functional Binders)

NAG-NAG.1: 7 residues within 4Å: Chain A: R.291 Chain B: E.69, E.72, K.75, G.78, N.79, N.82 1 PLIP interactions: 1 interactions with chain B Hydrophobic interactions: B:E.69 NAG-NAG.17: 7 residues within 4Å: Chain C: R.291 Chain D: E.69, E.72, K.75, G.78, N.79, N.82 1 PLIP interactions: 1 interactions with chain D Hydrophobic interactions: D:E.69 NAG-NAG.33: 7 residues within 4Å: Chain E: R.291 Chain F: E.69, E.72, K.75, G.78, N.79, N.82 1 PLIP interactions: 1 interactions with chain F Hydrophobic interactions: F:E.69

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

NAG.2: 3 residues within 4Å: Chain A: N.28, A.29, T.30 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.28, A:T.30, A:T.30 Water bridges: A:E.31 NAG.3: 1 residues within 4Å: Chain A: N.231 No protein-ligand interaction detected (PLIP) NAG.18: 3 residues within 4Å: Chain C: N.28, A.29, T.30 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:N.28, C:T.30, C:T.30 Water bridges: C:E.31 NAG.19: 1 residues within 4Å: Chain C: N.231 No protein-ligand interaction detected (PLIP) NAG.34: 3 residues within 4Å: Chain E: N.28, A.29, T.30 4 PLIP interactions: 4 interactions with chain E Hydrogen bonds: E:N.28, E:T.30, E:T.30 Water bridges: E:E.31 NAG.35: 1 residues within 4Å: Chain E: N.231 No protein-ligand interaction detected (PLIP)

39 x SO4: SULFATE ION(Non-functional Binders)(Post Translational Modification)(Non-covalent)

SO4.4: 4 residues within 4Å: Chain A: S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.5: 3 residues within 4Å: Chain A: N.37, V.38, P.39 Ligand excluded by PLIP SO4.6: 1 residues within 4Å: Chain A: R.35 Ligand excluded by PLIP SO4.7: 3 residues within 4Å: Chain A: V.38, P.39, R.40 Ligand excluded by PLIP SO4.8: 3 residues within 4Å: Chain A: S.84, D.85, V.86 Ligand excluded by PLIP SO4.9: 3 residues within 4Å: Chain A: T.162, R.163, K.164 Ligand excluded by PLIP SO4.10: 4 residues within 4Å: Chain A: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.11: 4 residues within 4Å: Chain A: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.12: 5 residues within 4Å: Chain A: T.20, E.21, R.22 Chain F: G.50, N.53 Ligand excluded by PLIP SO4.13: 3 residues within 4Å: Chain A: T.126, S.127, Q.217 Ligand excluded by PLIP SO4.14: 4 residues within 4Å: Chain B: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.15: 5 residues within 4Å: Chain B: F.70, T.71, E.72 Chain E: N.199, N.229 Ligand excluded by PLIP SO4.16: 5 residues within 4Å: Chain A: Q.302 Chain B: E.90, S.93, Y.94 Chain F: T.59 Ligand excluded by PLIP SO4.20: 4 residues within 4Å: Chain C: S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.21: 3 residues within 4Å: Chain C: N.37, V.38, P.39 Ligand excluded by PLIP SO4.22: 1 residues within 4Å: Chain C: R.35 Ligand excluded by PLIP SO4.23: 3 residues within 4Å: Chain C: V.38, P.39, R.40 Ligand excluded by PLIP SO4.24: 3 residues within 4Å: Chain C: S.84, D.85, V.86 Ligand excluded by PLIP SO4.25: 3 residues within 4Å: Chain C: T.162, R.163, K.164 Ligand excluded by PLIP SO4.26: 4 residues within 4Å: Chain C: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.27: 4 residues within 4Å: Chain C: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.28: 5 residues within 4Å: Chain B: G.50, N.53 Chain C: T.20, E.21, R.22 Ligand excluded by PLIP SO4.29: 3 residues within 4Å: Chain C: T.126, S.127, Q.217 Ligand excluded by PLIP SO4.30: 4 residues within 4Å: Chain D: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.31: 5 residues within 4Å: Chain A: N.199, N.229 Chain D: F.70, T.71, E.72 Ligand excluded by PLIP SO4.32: 5 residues within 4Å: Chain B: T.59 Chain C: Q.302 Chain D: E.90, S.93, Y.94 Ligand excluded by PLIP SO4.36: 4 residues within 4Å: Chain E: S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.37: 3 residues within 4Å: Chain E: N.37, V.38, P.39 Ligand excluded by PLIP SO4.38: 1 residues within 4Å: Chain E: R.35 Ligand excluded by PLIP SO4.39: 3 residues within 4Å: Chain E: V.38, P.39, R.40 Ligand excluded by PLIP SO4.40: 3 residues within 4Å: Chain E: S.84, D.85, V.86 Ligand excluded by PLIP SO4.41: 3 residues within 4Å: Chain E: T.162, R.163, K.164 Ligand excluded by PLIP SO4.42: 4 residues within 4Å: Chain E: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.43: 4 residues within 4Å: Chain E: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.44: 5 residues within 4Å: Chain D: G.50, N.53 Chain E: T.20, E.21, R.22 Ligand excluded by PLIP SO4.45: 3 residues within 4Å: Chain E: T.126, S.127, Q.217 Ligand excluded by PLIP SO4.46: 4 residues within 4Å: Chain F: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.47: 5 residues within 4Å: Chain C: N.199, N.229 Chain F: F.70, T.71, E.72 Ligand excluded by PLIP SO4.48: 5 residues within 4Å: Chain D: T.59 Chain E: Q.302 Chain F: E.90, S.93, Y.94 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Xiong, X. et al., Receptor Binding by an H7N9 Influenza Virus from Humans. Nature (2013)

Release Date

2013-07-03

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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