SMTL ID : 4bsh.1

H7N3 Avian Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.25 Å

Oligo State

hetero-3-3-mer

Ligands

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

GAL-SIA.1: 11 residues within 4Å: Chain A: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, E.181, L.185, Q.217 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:S.127, A:A.125, A:S.127, A:H.174, A:Q.217 Hydrophobic interactions: A:W.142, A:L.144 Water bridges: A:A.125 GAL-SIA.19: 11 residues within 4Å: Chain C: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, E.181, L.185, Q.217 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:S.127, C:A.125, C:S.127, C:H.174, C:Q.217 Hydrophobic interactions: C:W.142, C:L.144 Water bridges: C:A.125 GAL-SIA.37: 11 residues within 4Å: Chain E: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, E.181, L.185, Q.217 7 PLIP interactions: 7 interactions with chain E Hydrogen bonds: E:S.127, E:A.125, E:S.127, E:H.174, E:Q.217 Hydrophobic interactions: E:W.142, E:L.144 Water bridges: E:A.125

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.2: 6 residues within 4Å: Chain A: R.291 Chain B: E.72, K.75, G.78, N.79, N.82 No protein-ligand interaction detected (PLIP) NAG-NAG.20: 6 residues within 4Å: Chain C: R.291 Chain D: E.72, K.75, G.78, N.79, N.82 No protein-ligand interaction detected (PLIP) NAG-NAG.38: 6 residues within 4Å: Chain E: R.291 Chain F: E.72, K.75, G.78, N.79, N.82 No protein-ligand interaction detected (PLIP)

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

NAG.3: 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.4: 1 residues within 4Å: Chain A: N.231 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.231 NAG.21: 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.22: 1 residues within 4Å: Chain C: N.231 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.231 NAG.39: 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.40: 1 residues within 4Å: Chain E: N.231 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.231

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

SO4.5: 5 residues within 4Å: Chain A: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.6: 3 residues within 4Å: Chain A: N.37, V.38, P.39 Ligand excluded by PLIP SO4.7: 1 residues within 4Å: Chain A: R.35 Ligand excluded by PLIP SO4.8: 2 residues within 4Å: Chain A: P.39, R.40 Ligand excluded by PLIP SO4.9: 3 residues within 4Å: Chain A: S.84, D.85, V.86 Ligand excluded by PLIP SO4.10: 2 residues within 4Å: Chain A: R.163, K.164 Ligand excluded by PLIP SO4.11: 4 residues within 4Å: Chain A: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.12: 4 residues within 4Å: Chain A: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.13: 5 residues within 4Å: Chain A: T.20, E.21, R.22 Chain F: G.50, N.53 Ligand excluded by PLIP SO4.14: 2 residues within 4Å: Chain A: D.109, R.252 Ligand excluded by PLIP SO4.15: 4 residues within 4Å: Chain B: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.16: 4 residues within 4Å: Chain B: F.70, T.71, E.72 Chain E: N.199 Ligand excluded by PLIP SO4.17: 6 residues within 4Å: Chain A: K.301, Q.302 Chain B: E.90, S.93, Y.94 Chain F: T.59 Ligand excluded by PLIP SO4.18: 6 residues within 4Å: Chain B: K.123 Chain D: K.123, E.132 Chain F: K.123 Ligands: SO4.36, SO4.54 Ligand excluded by PLIP SO4.23: 5 residues within 4Å: Chain C: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.24: 3 residues within 4Å: Chain C: N.37, V.38, P.39 Ligand excluded by PLIP SO4.25: 1 residues within 4Å: Chain C: R.35 Ligand excluded by PLIP SO4.26: 2 residues within 4Å: Chain C: P.39, R.40 Ligand excluded by PLIP SO4.27: 3 residues within 4Å: Chain C: S.84, D.85, V.86 Ligand excluded by PLIP SO4.28: 2 residues within 4Å: Chain C: R.163, K.164 Ligand excluded by PLIP SO4.29: 4 residues within 4Å: Chain C: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.30: 4 residues within 4Å: Chain C: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.31: 5 residues within 4Å: Chain B: G.50, N.53 Chain C: T.20, E.21, R.22 Ligand excluded by PLIP SO4.32: 2 residues within 4Å: Chain C: D.109, R.252 Ligand excluded by PLIP SO4.33: 4 residues within 4Å: Chain D: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.34: 4 residues within 4Å: Chain A: N.199 Chain D: F.70, T.71, E.72 Ligand excluded by PLIP SO4.35: 6 residues within 4Å: Chain B: T.59 Chain C: K.301, Q.302 Chain D: E.90, S.93, Y.94 Ligand excluded by PLIP SO4.36: 6 residues within 4Å: Chain B: K.123 Chain D: K.123 Chain F: K.123, E.132 Ligands: SO4.18, SO4.54 Ligand excluded by PLIP SO4.41: 5 residues within 4Å: Chain E: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.42: 3 residues within 4Å: Chain E: N.37, V.38, P.39 Ligand excluded by PLIP SO4.43: 1 residues within 4Å: Chain E: R.35 Ligand excluded by PLIP SO4.44: 2 residues within 4Å: Chain E: P.39, R.40 Ligand excluded by PLIP SO4.45: 3 residues within 4Å: Chain E: S.84, D.85, V.86 Ligand excluded by PLIP SO4.46: 2 residues within 4Å: Chain E: R.163, K.164 Ligand excluded by PLIP SO4.47: 4 residues within 4Å: Chain E: K.110, E.111, T.112, R.247 Ligand excluded by PLIP SO4.48: 4 residues within 4Å: Chain E: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.49: 5 residues within 4Å: Chain D: G.50, N.53 Chain E: T.20, E.21, R.22 Ligand excluded by PLIP SO4.50: 2 residues within 4Å: Chain E: D.109, R.252 Ligand excluded by PLIP SO4.51: 4 residues within 4Å: Chain F: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.52: 4 residues within 4Å: Chain C: N.199 Chain F: F.70, T.71, E.72 Ligand excluded by PLIP SO4.53: 6 residues within 4Å: Chain D: T.59 Chain E: K.301, Q.302 Chain F: E.90, S.93, Y.94 Ligand excluded by PLIP SO4.54: 6 residues within 4Å: Chain B: K.123, E.132 Chain D: K.123 Chain F: K.123 Ligands: SO4.18, SO4.36 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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