SMTL ID : 2ofd.1 (1 other biounit)

The Crystal Structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-galactosamine

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.96 Å

Oligo State

homo-dimer

Ligands

3 x NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)(Non-functional Binders)

NGA.1: 7 residues within 4Å: Chain A: Y.28, S.48, G.49, H.71, N.72, Y.97, R.106 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:G.49, A:N.72, A:N.72, A:R.106, A:R.106 Water bridges: A:S.48, A:N.72, A:N.72, A:Y.97 Salt bridges: A:H.71 NGA.3: 8 residues within 4Å: Chain B: Y.28, S.48, G.49, H.71, N.72, Y.73, Y.97, R.106 11 PLIP interactions: 11 interactions with chain B Hydrogen bonds: B:S.48, B:G.49, B:N.72, B:R.106 Water bridges: B:Y.28, B:H.71, B:N.72, B:Y.97, B:Y.97, B:R.106 Salt bridges: B:H.71 NGA.4: 8 residues within 4Å: Chain B: D.78, I.79, V.80, T.81, R.102, Y.113, V.115, K.116 6 PLIP interactions: 6 interactions with chain B Hydrophobic interactions: B:V.115 Hydrogen bonds: B:I.79, B:T.81, B:R.102 Water bridges: B:N.101 Salt bridges: B:R.102

3 x ACT: ACETATE ION(Non-covalent)(Non-functional Binders)

ACT.2: 4 residues within 4Å: Chain A: D.78, I.79, R.108, Y.113 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Y.113 ACT.5: 4 residues within 4Å: Chain B: N.13, N.15, K.119, R.121 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:N.13, B:N.15 Salt bridges: B:R.121 ACT.6: 3 residues within 4Å: Chain B: S.98, K.100, E.103 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Leonidas, D.D. et al., Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin. J.Mol.Biol. (2007)

Release Date

2007-05-01

Peptides

Sclerotium rolfsii lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Sclerotium rolfsii lectin

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