SMTL ID : 3lky.1

Monomeric Griffithsin with a Single Gly-Ser Insertion

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.11 Å

Oligo State

monomer

Ligands

3 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 7 residues within 4Å: Chain A: G.11, G.12, Y.70, G.110, D.111, Y.112, D.114 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.12, A:G.110, A:D.111, A:D.111, A:Y.112, A:D.114 GOL.2: 6 residues within 4Å: Chain A: F.7, G.8, S.67, G.68, S.93, N.95 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.8, A:S.67, A:G.68, A:S.93, A:N.95 Water bridges: A:S.93 GOL.3: 5 residues within 4Å: Chain A: S.27, G.28, N.47, Y.87, G.88 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:G.88, A:G.88 Water bridges: A:N.47, A:P.86, A:G.88

2 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.4: 7 residues within 4Å: Chain A: N.62, M.63, T.64, S.75, F.76, E.77, R.83 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:M.63, A:T.64, A:R.83 Water bridges: A:F.84 EDO.5: 3 residues within 4Å: Chain A: R.66, S.93, A.94 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.66, A:R.66, A:A.94

3 x SO4: SULFATE ION(Non-functional Binders)

SO4.6: 2 residues within 4Å: Chain A: Y.59, N.79 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.79 Water bridges: A:G.57 SO4.7: 3 residues within 4Å: Chain A: N.106, D.117, Y.119 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.106, A:Y.119 Water bridges: A:G.107 SO4.8: 4 residues within 4Å: Chain A: S.22, I.35, G.38, T.51 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.22, A:T.51, A:T.51 Water bridges: A:G.38, A:G.38, A:G.38

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Moulaei, T. et al., Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity. Structure (2010)

Release Date

2010-10-06

Peptides

Griffithsin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Griffithsin