SMTL ID : 3n0i.1

Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.65 Å

Oligo State

homo-trimer

Ligands

1 x BGC- GAL- NGA- GAL- SIA- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-covalent)

BGC-GAL-NGA-GAL-SIA-SIA.1: 14 residues within 4Å: Chain A: Y.141, P.146, D.147, P.149, K.174 Chain B: Y.137, Y.141, P.146, D.147, V.151, K.174 Chain C: Y.137, V.151, S.173 11 PLIP interactions: 4 interactions with chain C, 2 interactions with chain A, 5 interactions with chain B Hydrogen bonds: C:S.173, B:K.174, C:S.173, B:Y.141, B:P.146 Water bridges: A:K.174, A:K.174, C:S.171, C:S.171 Hydrophobic interactions: C:Y.137, B:Y.141, B:P.146 Salt bridges: B:K.174

3 x ZN: ZINC ION(Non-covalent)

ZN.2: 2 residues within 4Å: Chain A: H.60, E.180 4 PLIP interactions: 2 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:H.60, A:E.180, H2O.6, H2O.6 ZN.3: 2 residues within 4Å: Chain B: H.60, E.180 4 PLIP interactions: 2 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:H.60, B:E.180, H2O.12, H2O.13 ZN.4: 1 residues within 4Å: Chain C: H.60 1 PLIP interactions: 1 interactions with chain C Metal complexes: C:H.60

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Nilsson, E.C. et al., The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis. NAT.MED. (N.Y.) (2011)

Release Date

2010-12-29

Peptides

Fiber: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

Fiber

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