SMTL ID : 4den.1

Structural insightsinto potent, specific anti-HIV property of actinohivin; Crystal structure of actinohivin in complex with alpha(1-2) mannobiose moiety of high-mannose type glycan of gp120

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

monomer

Ligands

3 x MAN- MAN: alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose(Non-covalent)

MAN-MAN.1: 8 residues within 4Å: Chain A: D.53, S.54, Y.61, L.63, N.66, G.68, Y.70, Q.71 No protein-ligand interaction detected (PLIP) MAN-MAN.2: 9 residues within 4Å: Chain A: D.15, S.16, N.17, Y.23, L.25, N.28, G.30, Y.32 Ligands: K.6 2 PLIP interactions: 2 interactions with chain A Water bridges: A:N.28, A:N.28 MAN-MAN.3: 10 residues within 4Å: Chain A: D.91, S.92, Y.99, L.101, N.104, G.106, Y.108, Q.109 Ligands: K.4, K.5 No protein-ligand interaction detected (PLIP)

3 x K: POTASSIUM ION(Non-covalent)(Non-functional Binders)

K.4: 2 residues within 4Å: Chain A: N.104 Ligands: MAN-MAN.3 1 PLIP interactions: 1 interactions with chain A Metal complexes: A:N.104 K.5: 1 residues within 4Å: Ligands: MAN-MAN.3 No protein-ligand interaction detected (PLIP) K.6: 4 residues within 4Å: Chain A: N.17, Y.18, Y.32 Ligands: MAN-MAN.2 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Hoque, M.M. et al., Structural insights into the specific anti-HIV property of actinohivin: structure of its complex with the alpha(1–2)mannobiose moiety of gp120. Acta Crystallogr.,Sect.D (2012)

Release Date

2012-11-28

Peptides

Actinohivin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Actinohivin

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