SMTL ID : 6q8g.1 (3 other biounits)

Structure of Fucosylated D-antimicrobial peptide SB8 in complex with the Fucose-binding lectin PA-IIL at 1.190 Angstrom resolution

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.19 Å

Oligo State

hetero-1-1-mer

Ligands

3 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: E.95, D.99, D.101, D.104 Ligands: CA.2, ZDC.4 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.95, A:E.95, A:D.99, A:D.101, A:D.104 CA.2: 6 residues within 4Å: Chain A: N.21, D.101, N.103, D.104 Ligands: CA.1, ZDC.4 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:N.21, A:D.101, A:D.104 CA.3: 1 residues within 4Å: Chain A: G.114 1 PLIP interactions: 1 interactions with chain A Metal complexes: A:G.114

1 x ZDC: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid(Post Translational Modification)

ZDC.4: 13 residues within 4Å: Chain A: N.21, S.22, S.23, E.95, D.96, D.99, D.101, D.104 Chain B: K.1, K.2, A.3 Ligands: CA.1, CA.2 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.23, A:S.23, A:D.99, A:D.104

1 x NH2: AMINO GROUP(Non-functional Binders)

NH2.5: 4 residues within 4Å: Chain B: A.8, K.9, L.10, L.11 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Baeriswyl, S. et al., X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol. (2019)

Release Date

2019-03-20

Peptides

Fucose-binding lectin: A
SB8: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
E

Fucose-binding lectin

SB8

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