SMTL ID : 1uxa.1

ADENOVIRUS AD37 FIBRE HEAD in complex with sialyl-lactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-trimer

Ligands

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

GAL-SIA.1: 8 residues within 4Å: Chain A: Y.141, P.146, D.147, P.149, K.174 Chain B: Y.137, V.151, S.173 10 PLIP interactions: 3 interactions with chain B, 7 interactions with chain A Water bridges: B:S.173, B:S.173, A:Y.141, A:Y.141, A:K.174, B:S.173, B:S.173 Hydrophobic interactions: A:Y.141, A:P.146, B:Y.137 Hydrogen bonds: A:P.146 Salt bridges: A:K.174 GAL-SIA.2: 7 residues within 4Å: Chain B: Y.141, P.146, D.147, P.149, K.174 Chain C: Y.137, V.151 11 PLIP interactions: 6 interactions with chain C, 5 interactions with chain B Water bridges: C:S.173, C:S.173, C:T.139, C:S.171, C:S.173, C:S.173, B:Y.141 Hydrophobic interactions: C:Y.137, C:V.151, B:Y.141, B:P.146 Hydrogen bonds: B:P.146 Salt bridges: B:K.174

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose(Non-covalent)

GAL-SIA.3: 8 residues within 4Å: Chain A: Y.137, V.151, S.173 Chain C: Y.141, P.146, D.147, P.149, K.174 11 PLIP interactions: 8 interactions with chain C, 3 interactions with chain A Hydrophobic interactions: C:Y.141, C:P.146, A:Y.137, A:V.151 Hydrogen bonds: C:P.146, C:P.146 Water bridges: C:Y.141, C:Y.141, C:K.174, A:S.173 Salt bridges: C:K.174

3 x ZN: ZINC ION(Non-covalent)(Non-functional Binders)

ZN.4: 2 residues within 4Å: Chain C: H.60 Ligands: ACT.8 3 PLIP interactions: 1 interactions with chain C, 1 Ligand-Water interactions, 1 Ligand-Ligand interactions Metal complexes: C:H.60, H2O.7, ACT.8 ZN.5: 3 residues within 4Å: Chain A: H.60, E.180 Ligands: ACT.6 5 PLIP interactions: 2 interactions with chain A, 1 Ligand-Ligand interactions, 2 Ligand-Water interactions Metal complexes: A:H.60, A:E.180, ACT.6, H2O.13, H2O.13 ZN.7: 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.21, H2O.21

2 x ACT: ACETATE ION(Non-covalent)(Non-functional Binders)

ACT.6: 6 residues within 4Å: Chain A: V.55, H.60, E.180 Chain B: K.129, Y.131 Ligands: ZN.5 3 PLIP interactions: 1 interactions with chain A, 2 interactions with chain B Salt bridges: A:H.60, B:K.129 Water bridges: B:K.129 ACT.8: 4 residues within 4Å: Chain C: H.60, I.61, E.180 Ligands: ZN.4 2 PLIP interactions: 2 interactions with chain C Hydrophobic interactions: C:I.61 Salt bridges: C:H.60

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Burmeister, W.P. et al., Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites. J.Virol. (2004)

Release Date

2004-07-01

Peptides

FIBER PROTEIN: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

FIBER PROTEIN

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