SMTL ID : 4cyv.1

Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

hetero-3-3-mer

Ligands

3 x NAG- NAG- BMA- MAN- MAN: alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)(Non-functional Binders)

NAG-NAG-BMA-MAN-MAN.1: 6 residues within 4Å: Chain B: H.75, N.79, N.82 Chain C: E.105, R.257 Chain D: E.64 1 PLIP interactions: 1 interactions with chain B Water bridges: B:E.69 NAG-NAG-BMA-MAN-MAN.3: 6 residues within 4Å: Chain C: R.294 Chain D: H.75, N.79, N.82 Chain E: E.105, R.257 2 PLIP interactions: 1 interactions with chain E, 1 interactions with chain C Hydrogen bonds: E:R.257, C:R.294 NAG-NAG-BMA-MAN-MAN.5: 6 residues within 4Å: Chain A: E.105 Chain E: R.294 Chain F: H.75, G.78, N.79, N.82 2 PLIP interactions: 2 interactions with chain E Hydrogen bonds: E:R.294 Water bridges: E:R.294

1 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.2: 5 residues within 4Å: Chain C: R.163, S.201, G.234, D.235, N.236 No protein-ligand interaction detected (PLIP)

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

NAG-NAG.4: 5 residues within 4Å: Chain C: P.215 Chain E: R.163, G.234, D.235, N.236 No protein-ligand interaction detected (PLIP)

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

NAG.6: 4 residues within 4Å: Chain A: R.163, G.234, D.235, N.236 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.163, A:D.235, A:N.236 NAG.7: 1 residues within 4Å: Chain A: N.29 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.29 NAG.11: 3 residues within 4Å: Chain B: E.150, N.154, T.156 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:N.154 NAG.15: 3 residues within 4Å: Chain C: N.29, T.312 Chain D: L.52 3 PLIP interactions: 2 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:N.29, C:T.312 Hydrophobic interactions: D:L.52 NAG.20: 4 residues within 4Å: Chain D: S.147, E.150, N.154, T.156 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:N.154 NAG.22: 2 residues within 4Å: Chain E: N.29, T.31 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:T.31

18 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)(Post Translational Modification)

EDO.8: 5 residues within 4Å: Chain A: Q.262, W.277, R.278, R.294 Chain B: E.69 Ligand excluded by PLIP EDO.9: 3 residues within 4Å: Chain A: H.49, K.50, D.51 Ligand excluded by PLIP EDO.10: 8 residues within 4Å: Chain A: L.61, L.171, I.172, M.173, P.248, R.250, V.251, S.252 Ligand excluded by PLIP EDO.12: 7 residues within 4Å: Chain A: P.293, Y.302 Chain B: K.85, I.88, T.89 Chain F: W.83 Ligands: EDO.14 Ligand excluded by PLIP EDO.13: 5 residues within 4Å: Chain A: T.295, K.301 Chain B: F.63 Chain F: W.83 Ligands: EDO.14 Ligand excluded by PLIP EDO.14: 8 residues within 4Å: Chain A: K.301 Chain B: F.63, I.88, W.92 Chain F: W.83, S.87 Ligands: EDO.12, EDO.13 Ligand excluded by PLIP EDO.16: 6 residues within 4Å: Chain C: I.261, Q.262, W.277, R.278, R.294 Chain D: E.69 Ligand excluded by PLIP EDO.17: 4 residues within 4Å: Chain C: S.48, T.74, W.75, D.76 Ligand excluded by PLIP EDO.18: 8 residues within 4Å: Chain C: L.61, L.171, I.172, M.173, P.248, R.250, V.251, S.252 Ligand excluded by PLIP EDO.19: 6 residues within 4Å: Chain B: N.79 Chain C: Q.101, M.104, E.105 Chain D: E.64, S.65 Ligand excluded by PLIP EDO.21: 3 residues within 4Å: Chain D: E.72, H.75 Chain E: K.102 Ligand excluded by PLIP EDO.23: 8 residues within 4Å: Chain E: L.61, L.171, I.172, M.173, P.248, R.250, V.251, S.252 Ligand excluded by PLIP EDO.24: 10 residues within 4Å: Chain C: V.210, G.212, A.213, R.214 Chain E: S.197, V.198, G.199, Q.204, T.238, S.240 Ligand excluded by PLIP EDO.25: 7 residues within 4Å: Chain E: L.146, F.155, Y.189, H.241, G.243, G.244, L.245 Ligand excluded by PLIP EDO.26: 7 residues within 4Å: Chain D: W.83 Chain E: P.293, Y.302 Chain F: K.85, I.88, T.89 Ligands: EDO.27 Ligand excluded by PLIP EDO.27: 5 residues within 4Å: Chain D: W.83 Chain E: T.295, K.301 Chain F: F.63 Ligands: EDO.26 Ligand excluded by PLIP EDO.28: 7 residues within 4Å: Chain B: L.98, M.102 Chain D: L.98, M.102 Chain F: Q.95, L.98, M.102 Ligand excluded by PLIP EDO.29: 7 residues within 4Å: Chain E: L.6, G.7, H.8 Chain F: I.10, N.12, G.13, W.14 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Vachieri, S.G. et al., Receptor Binding by H10 Influenza Viruses. Nature (2014)

Release Date

2014-06-11

Peptides

HEMAGGLUTININ: ACE
HEMAGGLUTININ: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

E
E

B
B

D
D

F
F

HEMAGGLUTININ

HEMAGGLUTININ

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