SMTL ID : 4xkv.1

Tailspike protein mutant D339N of E. coli bacteriophage HK620

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-trimer

Ligands

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

TRS.1: 3 residues within 4Å: Chain A: V.455, N.456, Y.484 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:E.466, A:N.456 Water bridges: B:E.466, B:E.466 TRS.6: 3 residues within 4Å: Chain B: V.455, N.456, Y.484 4 PLIP interactions: 1 interactions with chain B, 3 interactions with chain C Hydrogen bonds: B:N.456, C:E.466 Water bridges: C:E.466, C:E.466 TRS.11: 3 residues within 4Å: Chain C: V.455, N.456, Y.484 4 PLIP interactions: 1 interactions with chain C, 3 interactions with chain A Hydrogen bonds: C:N.456, A:E.466 Water bridges: A:E.466, A:E.466

9 x FMT: FORMIC ACID(Non-functional Binders)

FMT.2: 3 residues within 4Å: Chain A: N.555, L.556, D.557 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:L.556, A:D.557 FMT.3: 4 residues within 4Å: Chain A: R.27, D.31 Chain B: W.40, V.50 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:R.27 FMT.4: 7 residues within 4Å: Chain A: K.567, V.573 Chain B: L.556, D.557, F.558, S.559, Y.577 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:Y.577 FMT.7: 3 residues within 4Å: Chain B: N.555, L.556, D.557 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:L.556, B:D.557 FMT.8: 4 residues within 4Å: Chain B: R.27, D.31 Chain C: W.40, V.50 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:R.27 FMT.9: 7 residues within 4Å: Chain B: K.567, V.573 Chain C: L.556, D.557, F.558, S.559, Y.577 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:Y.577 FMT.12: 3 residues within 4Å: Chain C: N.555, L.556, D.557 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:L.556, C:D.557 FMT.13: 4 residues within 4Å: Chain A: W.40, V.50 Chain C: R.27, D.31 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:R.27 FMT.14: 7 residues within 4Å: Chain A: L.556, D.557, F.558, S.559, Y.577 Chain C: K.567, V.573 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Y.577

3 x NA: SODIUM ION(Non-functional Binders)

NA.5: 3 residues within 4Å: Chain A: A.452, S.479, Q.481 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.479, A:Q.481 NA.10: 3 residues within 4Å: Chain B: A.452, S.479, Q.481 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:S.479, B:Q.481 NA.15: 3 residues within 4Å: Chain C: A.452, S.479, Q.481 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:Q.481, C:Q.481

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Gohlke, U. et al., Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published

Release Date

2016-01-20

Peptides

Tail spike protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Tail spike protein