SMTL ID : 5d2a.1

Bifunctional dendrimers

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.13 Å

Oligo State

homo-dimer

Ligands

3 x ALA- PRO- ALA- LYS- PHE- CYS: ZDC-ALA-PRO-ALA-LYS-PHE-CYS-ALA-PRO-ALA-PHB-GAL(Non-covalent)

ALA-PRO-ALA-LYS-PHE-CYS.1: 4 residues within 4Å: Chain A: N.70, G.71 Ligands: ALA-PRO-ALA.3, PHB.8 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.70 ALA-PRO-ALA-LYS-PHE-CYS.2: 2 residues within 4Å: Chain B: S.23 Ligands: ZDC.10 No protein-ligand interaction detected (PLIP) ALA-PRO-ALA-LYS-PHE-CYS.3: 3 residues within 4Å: Chain A: S.23 Ligands: ALA-PRO-ALA-LYS-PHE-CYS.1, ZDC.11 No protein-ligand interaction detected (PLIP)

4 x CA: CALCIUM ION(Non-covalent)

CA.4: 6 residues within 4Å: Chain A: E.95, D.99, D.101, D.104 Ligands: CA.5, ZDC.11 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.5: 7 residues within 4Å: Chain A: N.21, D.101, N.103, D.104 Chain B: G.114 Ligands: CA.4, ZDC.11 4 PLIP interactions: 3 interactions with chain A, 1 interactions with chain B Metal complexes: A:N.21, A:D.101, A:D.104, B:G.114 CA.6: 6 residues within 4Å: Chain B: E.95, D.99, D.101, D.104 Ligands: CA.7, ZDC.10 5 PLIP interactions: 5 interactions with chain B Metal complexes: B:E.95, B:E.95, B:D.99, B:D.101, B:D.104 CA.7: 7 residues within 4Å: Chain A: G.114 Chain B: N.21, D.101, N.103, D.104 Ligands: CA.6, ZDC.10 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A Metal complexes: B:N.21, B:D.101, B:D.104, A:G.114

1 x PHB: P-HYDROXYBENZOIC ACID(Non-functional Binders)

PHB.8: 2 residues within 4Å: Ligands: ALA-PRO-ALA-LYS-PHE-CYS.1, GAL.9 No protein-ligand interaction detected (PLIP)

1 x GAL: beta-D-galactopyranose(Non-functional Binders)

GAL.9: 1 residues within 4Å: Ligands: PHB.8 No protein-ligand interaction detected (PLIP)

2 x ZDC: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid(Non-covalent)

ZDC.10: 13 residues within 4Å: Chain A: G.114 Chain B: N.21, S.22, S.23, E.95, D.96, G.97, D.99, D.101, D.104 Ligands: ALA-PRO-ALA.2, CA.6, CA.7 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:S.23, B:D.99, B:D.104, A:G.114 ZDC.11: 14 residues within 4Å: Chain A: N.21, S.22, S.23, G.24, E.95, D.96, D.99, D.101, D.104 Chain B: G.114 Ligands: ALA-PRO-ALA.3, ALA-PRO-ALA.3, CA.4, CA.5 4 PLIP interactions: 1 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:G.114, A:S.23, A:G.24, A:D.99

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Michaud, G. et al., Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers. Chem Sci (2016)

Release Date

2016-02-10

Peptides

Fucose-binding lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Fucose-binding lectin

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