SMTL ID : 4xqf.1

Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.55 Å

Oligo State

homo-trimer

Ligands

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

TRS.1: 4 residues within 4Å: Chain A: D.559, I.582, G.583, R.586 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.559, A:R.586, A:R.586 Water bridges: A:D.559 TRS.6: 4 residues within 4Å: Chain B: D.559, I.582, G.583, R.586 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.559, B:R.586, B:R.586 Water bridges: B:D.559 TRS.11: 4 residues within 4Å: Chain C: D.559, I.582, G.583, R.586 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:D.559, C:R.586, C:R.586 Water bridges: C:D.559

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

FMT.2: 3 residues within 4Å: Chain A: Y.486, A.513, N.514 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.514, A:N.514 Water bridges: A:A.513 FMT.3: 3 residues within 4Å: Chain A: W.44 Chain C: R.31, D.35 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:R.31 Water bridges: C:D.35 FMT.4: 2 residues within 4Å: Chain A: Y.528, N.529 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.529, A:N.529 FMT.7: 3 residues within 4Å: Chain B: Y.486, A.513, N.514 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:N.514, B:N.514 Water bridges: B:A.513 FMT.8: 3 residues within 4Å: Chain A: R.31, D.35 Chain B: W.44 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.31 Water bridges: A:D.35 FMT.9: 2 residues within 4Å: Chain B: Y.528, N.529 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:N.529, B:N.529 FMT.12: 3 residues within 4Å: Chain C: Y.486, A.513, N.514 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.514, C:N.514 Water bridges: C:A.513 FMT.13: 3 residues within 4Å: Chain B: R.31, D.35 Chain C: W.44 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:R.31 Water bridges: B:D.35 FMT.14: 2 residues within 4Å: Chain C: Y.528, N.529 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:N.529, C:N.529

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

NA.5: 3 residues within 4Å: Chain A: A.454, S.481, Q.483 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.481, A:Q.483 NA.10: 3 residues within 4Å: Chain B: A.454, S.481, Q.483 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:S.481, B:Q.483 NA.15: 3 residues within 4Å: Chain C: A.454, S.481, Q.483 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:S.481, C:Q.483

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

2016-01-27

Peptides

Tail spike protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Tail spike protein