SMTL ID : 3m5h.1

Crystal structure of a H7 influenza virus hemagglutinin complexed with 3SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.70 Å

Oligo State

hetero-3-3-mer

Ligands

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

NAG-GAL-SIA.1: 11 residues within 4Å: Chain A: Y.92, G.128, A.129, T.130, S.131, W.146, L.148, H.178, E.185, L.189, R.215 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:E.185, A:E.185, A:A.129, A:A.129, A:S.131, A:H.178, A:R.215 Hydrophobic interactions: A:L.189 NAG-GAL-SIA.5: 12 residues within 4Å: Chain E: Y.92, G.128, A.129, T.130, S.131, W.146, L.148, H.178, E.185, K.188, L.189, R.215 6 PLIP interactions: 6 interactions with chain E Hydrogen bonds: E:E.185, E:K.188, E:R.215, E:A.129, E:A.129, E:S.131, E:H.178, E:R.215 Hydrophobic interactions: E:L.189

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

NAG-NAG.2: 9 residues within 4Å: Chain A: R.287 Chain B: N.68, E.69, E.72, Q.75, G.78, N.79, N.82 Chain E: R.108 1 PLIP interactions: 1 interactions with chain B Hydrophobic interactions: B:E.72 NAG-NAG.4: 3 residues within 4Å: Chain C: N.32, A.33, T.34 No protein-ligand interaction detected (PLIP)

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

GAL-SIA.3: 9 residues within 4Å: Chain C: Y.92, A.129, T.130, S.131, H.178, E.181, E.185, L.189, R.215 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:R.215, C:A.129, C:A.129, C:S.131, C:S.131, C:E.181, C:R.215 Hydrophobic interactions: C:L.189

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

NAG.6: 3 residues within 4Å: Chain A: N.32, A.33, T.34 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.34, A:T.34 NAG.9: 5 residues within 4Å: Chain D: E.72, Q.75, G.78, N.79, N.82 2 PLIP interactions: 2 interactions with chain D Hydrogen bonds: D:E.72, D:N.82 NAG.11: 3 residues within 4Å: Chain E: N.32, A.33, T.34 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:T.34 NAG.12: 6 residues within 4Å: Chain C: R.108 Chain F: E.72, Q.75, G.78, N.79, N.82 4 PLIP interactions: 3 interactions with chain F, 1 interactions with chain C Hydrophobic interactions: F:Q.75 Hydrogen bonds: F:E.72, C:R.108 Water bridges: F:N.82

4 x GOL: GLYCEROL(Non-functional Binders)(Non-covalent)(Post Translational Modification)

GOL.7: 1 residues within 4Å: Chain B: H.106 No protein-ligand interaction detected (PLIP) GOL.8: 8 residues within 4Å: Chain B: R.54, L.55, K.58, L.99 Chain D: Y.94, E.97, L.98, A.101 4 PLIP interactions: 2 interactions with chain B, 2 interactions with chain D Hydrogen bonds: B:R.54, B:K.58, D:Y.94, D:E.97 GOL.10: 6 residues within 4Å: Chain D: R.54, L.55, K.58 Chain F: Y.94, E.97, L.98 3 PLIP interactions: 2 interactions with chain D, 1 interactions with chain F Hydrogen bonds: D:R.54, D:K.58, F:Y.94 GOL.13: 8 residues within 4Å: Chain B: Y.94, E.97, L.98, A.101 Chain F: R.54, L.55, K.58, L.99 3 PLIP interactions: 3 interactions with chain F Hydrogen bonds: F:R.54, F:K.58, F:K.58

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Yang, H. et al., Structures of receptor complexes of a North American H7N2 influenza hemagglutinin with a loop deletion in the receptor binding site. Plos Pathog. (2010)

Release Date

2010-09-22

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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