SMTL ID : 4bse.1

Human H7N9 Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue LSTc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.55 Å

Oligo State

hetero-3-3-mer

Ligands

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

NAG-GAL-SIA.1: 12 residues within 4Å: Chain A: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, S.176, V.177, L.185, L.217 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:W.142, A:L.144 Hydrogen bonds: A:A.125, A:S.127, A:S.176 Water bridges: A:V.177 NAG-GAL-SIA.21: 12 residues within 4Å: Chain C: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, S.176, V.177, L.185, L.217 6 PLIP interactions: 6 interactions with chain C Hydrophobic interactions: C:W.142, C:L.144 Hydrogen bonds: C:A.125, C:S.127, C:S.176 Water bridges: C:V.177 NAG-GAL-SIA.41: 12 residues within 4Å: Chain E: Y.88, G.124, A.125, T.126, S.127, W.142, L.144, H.174, S.176, V.177, L.185, L.217 6 PLIP interactions: 6 interactions with chain E Hydrophobic interactions: E:W.142, E:L.144 Hydrogen bonds: E:A.125, E:S.127, E:S.176 Water bridges: E:V.177

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)(Non-covalent)

NAG-NAG.2: 6 residues within 4Å: Chain A: R.291 Chain B: E.69, E.72, K.75, N.79, N.82 1 PLIP interactions: 1 interactions with chain B Hydrophobic interactions: B:E.69 NAG-NAG.22: 6 residues within 4Å: Chain C: R.291 Chain D: E.69, E.72, K.75, N.79, N.82 1 PLIP interactions: 1 interactions with chain D Hydrophobic interactions: D:E.69 NAG-NAG.42: 6 residues within 4Å: Chain E: R.291 Chain F: E.69, E.72, K.75, N.79, N.82 1 PLIP interactions: 1 interactions with chain F Hydrophobic interactions: F:E.69

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

NAG.3: 3 residues within 4Å: Chain A: N.28, A.29, T.30 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.28, A:T.30, A:T.30 NAG.4: 1 residues within 4Å: Chain A: N.231 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.231 NAG.5: 2 residues within 4Å: Chain A: N.12, G.13 No protein-ligand interaction detected (PLIP) NAG.23: 3 residues within 4Å: Chain C: N.28, A.29, T.30 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.28, C:T.30, C:T.30 NAG.24: 1 residues within 4Å: Chain C: N.231 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.231 NAG.25: 2 residues within 4Å: Chain C: N.12, G.13 No protein-ligand interaction detected (PLIP) NAG.43: 3 residues within 4Å: Chain E: N.28, A.29, T.30 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:N.28, E:T.30, E:T.30 NAG.44: 1 residues within 4Å: Chain E: N.231 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.231 NAG.45: 2 residues within 4Å: Chain E: N.12, G.13 No protein-ligand interaction detected (PLIP)

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

SO4.6: 5 residues within 4Å: Chain A: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.7: 2 residues within 4Å: Chain A: N.37, P.39 Ligand excluded by PLIP SO4.8: 2 residues within 4Å: Chain A: R.35, R.303 Ligand excluded by PLIP SO4.9: 2 residues within 4Å: Chain A: P.39, R.40 Ligand excluded by PLIP SO4.10: 3 residues within 4Å: Chain A: S.84, D.85, V.86 Ligand excluded by PLIP SO4.11: 3 residues within 4Å: Chain A: R.163, K.164, S.165 Ligand excluded by PLIP SO4.12: 4 residues within 4Å: Chain A: K.110, E.111, A.112, R.247 Ligand excluded by PLIP SO4.13: 4 residues within 4Å: Chain A: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.14: 4 residues within 4Å: Chain A: T.20, E.21, R.22 Chain F: G.50 Ligand excluded by PLIP SO4.15: 2 residues within 4Å: Chain A: S.73, R.252 Ligand excluded by PLIP SO4.16: 4 residues within 4Å: Chain A: K.301, Q.302, R.303, S.304 Ligand excluded by PLIP SO4.17: 4 residues within 4Å: Chain B: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.18: 5 residues within 4Å: Chain B: F.70, N.71, E.72 Chain E: N.199, N.229 Ligand excluded by PLIP SO4.19: 6 residues within 4Å: Chain A: Q.302 Chain B: S.93, Y.94, E.97 Chain F: E.57, T.59 Ligand excluded by PLIP SO4.20: 5 residues within 4Å: Chain D: K.123 Chain F: K.123, E.132 Ligands: SO4.40, SO4.60 Ligand excluded by PLIP SO4.26: 5 residues within 4Å: Chain C: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.27: 2 residues within 4Å: Chain C: N.37, P.39 Ligand excluded by PLIP SO4.28: 2 residues within 4Å: Chain C: R.35, R.303 Ligand excluded by PLIP SO4.29: 2 residues within 4Å: Chain C: P.39, R.40 Ligand excluded by PLIP SO4.30: 3 residues within 4Å: Chain C: S.84, D.85, V.86 Ligand excluded by PLIP SO4.31: 3 residues within 4Å: Chain C: R.163, K.164, S.165 Ligand excluded by PLIP SO4.32: 4 residues within 4Å: Chain C: K.110, E.111, A.112, R.247 Ligand excluded by PLIP SO4.33: 4 residues within 4Å: Chain C: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.34: 4 residues within 4Å: Chain B: G.50 Chain C: T.20, E.21, R.22 Ligand excluded by PLIP SO4.35: 2 residues within 4Å: Chain C: S.73, R.252 Ligand excluded by PLIP SO4.36: 4 residues within 4Å: Chain C: K.301, Q.302, R.303, S.304 Ligand excluded by PLIP SO4.37: 4 residues within 4Å: Chain D: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.38: 5 residues within 4Å: Chain A: N.199, N.229 Chain D: F.70, N.71, E.72 Ligand excluded by PLIP SO4.39: 6 residues within 4Å: Chain B: E.57, T.59 Chain C: Q.302 Chain D: S.93, Y.94, E.97 Ligand excluded by PLIP SO4.40: 5 residues within 4Å: Chain B: K.123, E.132 Chain F: K.123 Ligands: SO4.20, SO4.60 Ligand excluded by PLIP SO4.46: 5 residues within 4Å: Chain E: Y.117, S.118, G.119, I.120, N.146 Ligand excluded by PLIP SO4.47: 2 residues within 4Å: Chain E: N.37, P.39 Ligand excluded by PLIP SO4.48: 2 residues within 4Å: Chain E: R.35, R.303 Ligand excluded by PLIP SO4.49: 2 residues within 4Å: Chain E: P.39, R.40 Ligand excluded by PLIP SO4.50: 3 residues within 4Å: Chain E: S.84, D.85, V.86 Ligand excluded by PLIP SO4.51: 3 residues within 4Å: Chain E: R.163, K.164, S.165 Ligand excluded by PLIP SO4.52: 4 residues within 4Å: Chain E: K.110, E.111, A.112, R.247 Ligand excluded by PLIP SO4.53: 4 residues within 4Å: Chain E: F.92, V.93, N.94, E.95 Ligand excluded by PLIP SO4.54: 4 residues within 4Å: Chain D: G.50 Chain E: T.20, E.21, R.22 Ligand excluded by PLIP SO4.55: 2 residues within 4Å: Chain E: S.73, R.252 Ligand excluded by PLIP SO4.56: 4 residues within 4Å: Chain E: K.301, Q.302, R.303, S.304 Ligand excluded by PLIP SO4.57: 4 residues within 4Å: Chain F: W.14, E.15, G.16, R.25 Ligand excluded by PLIP SO4.58: 5 residues within 4Å: Chain C: N.199, N.229 Chain F: F.70, N.71, E.72 Ligand excluded by PLIP SO4.59: 6 residues within 4Å: Chain D: E.57, T.59 Chain E: Q.302 Chain F: S.93, Y.94, E.97 Ligand excluded by PLIP SO4.60: 5 residues within 4Å: Chain B: K.123 Chain D: K.123, E.132 Ligands: SO4.20, SO4.40 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

HAEMAGGLUTININ HA1: ACE
HAEMAGGLUTININ HA2: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
A

E
A

B
B

D
B

F
B

HAEMAGGLUTININ HA1

HAEMAGGLUTININ HA2

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