SMTL ID : 2hyq.1

Crystal structure of a complex of griffithsin with 6alpha-mannobiose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

6 x MAN- MAN: alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose(Non-functional Binders)(Non-covalent)

MAN-MAN.1: 6 residues within 4Å: Chain A: G.109, D.110, Y.111, D.113 Chain B: G.12, G.13 5 PLIP interactions: 4 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:G.109, A:D.110, A:Y.111, A:Y.111, B:G.13 MAN-MAN.2: 7 residues within 4Å: Chain A: G.27, S.28, Y.29, D.31, G.44, G.45, Y.111 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:G.27, A:S.28, A:Y.29, A:Y.29, A:G.45 MAN-MAN.3: 7 residues within 4Å: Chain A: Y.29, G.67, D.68, Y.69, D.71, G.90, G.91 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:G.67, A:D.68, A:Y.69, A:Y.69, A:G.91 Water bridges: A:D.71, A:G.90 MAN-MAN.4: 7 residues within 4Å: Chain B: Y.29, G.67, D.68, Y.69, D.71, G.90, G.91 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:G.67, B:D.68, B:Y.69, B:Y.69, B:G.91 MAN-MAN.5: 7 residues within 4Å: Chain B: G.27, S.28, Y.29, D.31, G.44, G.45, Y.111 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:G.27, B:S.28, B:Y.29, B:Y.29, B:G.45 Water bridges: B:G.27 MAN-MAN.6: 7 residues within 4Å: Chain A: G.12, G.13 Chain B: Y.69, G.109, D.110, Y.111, D.113 5 PLIP interactions: 1 interactions with chain A, 4 interactions with chain B Hydrogen bonds: A:G.13, B:G.109, B:D.110, B:Y.111, B:Y.111

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

SO4.7: 4 residues within 4Å: Chain A: R.65, G.91, S.92, A.93 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:A.93 Salt bridges: A:R.65 SO4.8: 3 residues within 4Å: Chain A: R.6 Chain B: N.94, T.95 3 PLIP interactions: 2 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:N.94, B:T.95 Salt bridges: A:R.6 SO4.9: 4 residues within 4Å: Chain B: R.65, G.91, S.92, A.93 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:A.93 Salt bridges: B:R.65

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ziolkowska, N.E. et al., Crystallographic, thermodynamic, and molecular modeling studies of the mode of binding of oligosaccharides to the potent antiviral protein griffithsin. Proteins (2007)

Release Date

2007-04-24

Peptides

Griffithsin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Griffithsin

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