SMTL ID : 1uxb.1

ADENOVIRUS AD19p FIBRE HEAD in complex with sialyl-lactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.75 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: 9 residues within 4Å: Chain A: Y.141, P.146, D.147, P.149, K.174 Chain B: Y.137, V.151, S.173 Ligands: GAL-SIA.3 9 PLIP interactions: 2 interactions with chain B, 7 interactions with chain A Water bridges: B:S.173, A:Y.141, A:K.174, A:K.174 Hydrophobic interactions: B:Y.137, A:Y.141, A:P.146 Hydrogen bonds: B:S.173, 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 7 PLIP interactions: 3 interactions with chain C, 4 interactions with chain B Water bridges: C:S.173, C:S.173, C:T.139 Hydrophobic interactions: B:Y.141, B:P.146, C:Y.137 Hydrogen bonds: B:P.146, C:S.173 Salt bridges: B:K.174

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

GAL-SIA.3: 9 residues within 4Å: Chain A: Y.137, V.151, S.173 Chain C: Y.141, P.146, D.147, P.149, K.174 Ligands: GAL-SIA.1 11 PLIP interactions: 7 interactions with chain C, 4 interactions with chain A Hydrophobic interactions: C:Y.141, C:P.146, A:Y.137, A:V.151 Hydrogen bonds: C:P.146, A:S.173 Water bridges: C:Y.141, C:K.174, C:K.174, A:T.139 Salt bridges: C:K.174

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

ZN.4: 4 residues within 4Å: Chain A: H.60, E.180 Ligands: ACT.5, 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.5, H2O.7, H2O.7 ZN.7: 2 residues within 4Å: Chain B: H.60, E.180 5 PLIP interactions: 2 interactions with chain B, 3 Ligand-Water interactions Metal complexes: B:H.60, B:E.180, H2O.14, H2O.14, H2O.14 ZN.8: 2 residues within 4Å: Chain C: H.60 Ligands: ACT.9 2 PLIP interactions: 1 interactions with chain C, 1 Ligand-Ligand interactions Metal complexes: C:H.60, ACT.9

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

ACT.5: 8 residues within 4Å: Chain A: I.53, V.55, H.60, E.180 Chain B: K.129, Y.131 Ligands: ZN.4, ACT.6 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A Salt bridges: B:K.129, A:H.60 ACT.6: 4 residues within 4Å: Chain A: H.60, E.180 Ligands: ZN.4, ACT.5 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:H.60 ACT.9: 4 residues within 4Å: Chain C: H.60, I.61, E.180 Ligands: ZN.8 3 PLIP interactions: 2 interactions with chain C, 1 interactions with chain A Hydrophobic interactions: C:I.61 Salt bridges: C:H.60 Water bridges: A:K.129

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