SMTL ID : 4xl9.1

Tailspike protein mutant D339A of E. coli bacteriophage HK620

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.02 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: 1 interactions with chain A, 3 interactions with chain B Hydrogen bonds: A:N.457, B:E.467 Water bridges: B:E.467, B:E.467 TRS.4: 4 residues within 4Å: Chain B: V.456, N.457, Y.485 Chain C: E.467 4 PLIP interactions: 3 interactions with chain C, 1 interactions with chain B Hydrogen bonds: C:E.467, B:N.457 Water bridges: C:E.467, C:E.467 TRS.7: 4 residues within 4Å: Chain A: E.467 Chain C: V.456, N.457, Y.485 4 PLIP interactions: 1 interactions with chain C, 3 interactions with chain A Hydrogen bonds: C:N.457, A:E.467 Water bridges: A:E.467, A:E.467

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

FMT.2: 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.5: 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.8: 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

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

NA.3: 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.6: 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.9: 3 residues within 4Å: Chain C: A.453, S.480, Q.482 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:S.480, 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

2016-01-20

Peptides

Tail spike protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Tail spike protein