SMTL ID : 5ofi.1 (2 other biounits)

PllA lectin, Fluorophore carbohydrate complex

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-tetramer

Ligands

4 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: Y.38, D.96, T.100, D.103, N.104 Ligands: 9TQ.2 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:Y.38, A:D.96, A:T.100, A:D.103 CA.3: 6 residues within 4Å: Chain B: Y.38, D.96, T.100, D.103, N.104 Ligands: 9TQ.4 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:Y.38, B:D.96, B:T.100, B:D.103 CA.5: 5 residues within 4Å: Chain C: Y.38, D.96, T.100, D.103, N.104 4 PLIP interactions: 4 interactions with chain C Metal complexes: C:Y.38, C:D.96, C:T.100, C:D.103 CA.6: 5 residues within 4Å: Chain D: Y.38, D.96, T.100, D.103, N.104 4 PLIP interactions: 4 interactions with chain D Metal complexes: D:Y.38, D:D.96, D:T.100, D:D.103

2 x 9TQ: 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid(Non-covalent)

9TQ.2: 10 residues within 4Å: Chain A: Y.38, E.44, Q.57, I.61, D.96, V.97, G.99, T.100, D.103 Ligands: CA.1 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:V.97 Hydrogen bonds: A:E.44, A:T.100, A:T.100, A:D.103, A:D.103 Water bridges: A:R.40, A:N.55, A:Q.57 9TQ.4: 9 residues within 4Å: Chain B: Y.38, E.44, Q.57, I.61, D.96, V.97, T.100, D.103 Ligands: CA.3 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:Q.57, B:D.96, B:T.100, B:D.103, B:D.103 Water bridges: B:R.40

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Beshr, G. et al., Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates. J. Biol. Chem. (2017)

Release Date

2017-10-04

Peptides

PIIA: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
C

B
B

C
E

D
G

PIIA

Related Entries With Identical Sequence