SMTL ID : 2x6x.1

Tailspike protein mutant D339N of E.coli bacteriophage HK620 in complex with hexasaccharide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.48 Å

Oligo State

homo-trimer

Ligands

3 x GLA- GLC- RAM- NAG: alpha-L-rhamnopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)]alpha-D-galactopyranose(Non-covalent)(Non-functional Binders)

GLA-GLC-RAM-NAG.1: 15 residues within 4Å: Chain A: G.102, H.103, Q.133, F.138, L.173, T.198, W.199, T.202, W.205, N.206, N.230, Y.235, N.237, A.290, E.291 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.230, A:H.288, A:N.206, A:N.206, A:N.237, A:E.291, A:H.103, A:Q.133 Water bridges: A:N.230, A:Y.235, A:H.288, A:T.202 Hydrophobic interactions: A:A.290, A:E.291, A:F.138 GLA-GLC-RAM-NAG.3: 15 residues within 4Å: Chain B: G.102, H.103, Q.133, F.138, L.173, T.198, W.199, T.202, W.205, N.206, N.230, Y.235, N.237, A.290, E.291 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:N.230, B:H.288, B:N.206, B:N.206, B:N.237, B:E.291, B:H.103, B:Q.133 Water bridges: B:N.230, B:Y.235, B:H.288, B:T.202 Hydrophobic interactions: B:A.290, B:E.291, B:F.138 GLA-GLC-RAM-NAG.5: 15 residues within 4Å: Chain C: G.102, H.103, Q.133, F.138, L.173, T.198, W.199, T.202, W.205, N.206, N.230, Y.235, N.237, A.290, E.291 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.230, C:H.288, C:N.206, C:N.206, C:N.237, C:E.291, C:H.103, C:Q.133 Water bridges: C:N.230, C:Y.235, C:H.288, C:T.202 Hydrophobic interactions: C:A.290, C:E.291, C:F.138

3 x TRS: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL(Non-covalent)

TRS.2: 3 residues within 4Å: Chain A: V.459, N.460, Y.488 3 PLIP interactions: 2 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:E.470, A:N.460 Water bridges: B:E.470 TRS.4: 3 residues within 4Å: Chain B: V.459, N.460, Y.488 3 PLIP interactions: 2 interactions with chain C, 1 interactions with chain B Hydrogen bonds: C:E.470, B:N.460 Water bridges: C:E.470 TRS.6: 3 residues within 4Å: Chain C: V.459, N.460, Y.488 3 PLIP interactions: 1 interactions with chain C, 2 interactions with chain A Hydrogen bonds: C:N.460, A:E.470 Water bridges: A:E.470

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Broeker, N.K. et al., Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology (2013)

Release Date

2011-03-02

Peptides

TAILSPIKE PROTEIN HK620: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

TAILSPIKE PROTEIN HK620