SMTL ID : 4end.1

Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

monomer

Ligands

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

MAN-MAN.1: 9 residues within 4Å: Chain A: D.53, S.54, N.55, Y.61, L.63, N.66, G.68, Y.70, Q.71 3 PLIP interactions: 3 interactions with chain A Water bridges: A:N.66, A:N.66, A:S.69 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, Q.33 1 PLIP interactions: 1 interactions with chain A Water bridges: A:N.31 MAN-MAN.3: 9 residues within 4Å: Chain A: D.91, S.92, N.93, Y.99, L.101, N.104, G.106, Y.108, Q.109 2 PLIP interactions: 2 interactions with chain A Water bridges: A:N.107, A:Y.108

2 x CCN: ACETONITRILE(Non-functional Binders)

CCN.4: 7 residues within 4Å: Chain A: L.13, A.27, N.28, G.29, G.30, Q.33, R.34 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:R.34 Hydrogen bonds: A:N.28, A:G.29 CCN.5: 3 residues within 4Å: Chain A: Y.76, Y.80, Q.82 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:Y.76, A:Y.80 Water bridges: A:Q.82

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Hoque, M.M. et al., Matured structure of anti-HIV lectin actinohivin in complex with 1,2-mannobiose. To be Published

Release Date

2013-07-17

Peptides

Actinohivin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Actinohivin

Related Entries With Identical Sequence