SMTL ID : 4xn0.1

Tailspike protein mutant E372A of E. coli bacteriophage HK620

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.75 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: V.456, N.457, Y.485 Chain B: E.467 4 PLIP interactions: 2 interactions with chain B, 2 interactions with chain A Hydrogen bonds: B:E.467, A:N.457 Water bridges: B:E.467, A:Q.424 TRS.6: 4 residues within 4Å: Chain B: V.456, N.457, Y.485 Chain C: E.467 5 PLIP interactions: 3 interactions with chain C, 2 interactions with chain B Hydrogen bonds: C:E.467, B:N.457 Water bridges: C:E.467, C:E.467, B:Q.424 TRS.11: 4 residues within 4Å: Chain A: E.467 Chain C: V.456, N.457, Y.485 5 PLIP interactions: 2 interactions with chain C, 3 interactions with chain A Hydrogen bonds: C:N.457, A:E.467 Water bridges: C:Q.424, A:E.467, A:E.467

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

FMT.2: 3 residues within 4Å: Chain A: R.28, D.32 Chain B: W.41 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.28 Water bridges: A:D.32 FMT.3: 3 residues within 4Å: Chain A: N.556, L.557, D.558 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:L.557, A:D.558 FMT.4: 3 residues within 4Å: Chain A: Y.527, N.528, V.584 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.528 FMT.7: 3 residues within 4Å: Chain B: R.28, D.32 Chain C: W.41 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:R.28 Water bridges: B:D.32 FMT.8: 3 residues within 4Å: Chain B: N.556, L.557, D.558 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:L.557, B:D.558 FMT.9: 3 residues within 4Å: Chain B: Y.527, N.528, V.584 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:N.528 FMT.12: 3 residues within 4Å: Chain A: W.41 Chain C: R.28, D.32 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:R.28 Water bridges: C:D.32 FMT.13: 3 residues within 4Å: Chain C: N.556, L.557, D.558 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:L.557, C:D.558 FMT.14: 3 residues within 4Å: Chain C: Y.527, N.528, V.584 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.528

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

NA.5: 3 residues within 4Å: Chain A: A.453, S.480, Q.482 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.480, A:Q.482 NA.10: 3 residues within 4Å: Chain B: A.453, S.480, Q.482 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:S.480, B:Q.482 NA.15: 3 residues within 4Å: Chain C: A.453, S.480, Q.482 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:Q.482, C:Q.482

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