SMTL ID : 2ofc.1 (3 other biounits)

The crystal structure of Sclerotium rolfsii lectin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.11 Å

Oligo State

homo-dimer

Ligands

2 x ACT: ACETATE ION(Non-functional Binders)

ACT.1: 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.2: 2 residues within 4Å: Chain B: R.75, A.130 5 PLIP interactions: 5 interactions with chain B Water bridges: B:R.75, B:R.75, B:R.75, B:R.75 Salt bridges: B:R.75

1 x TRS: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL(Non-functional Binders)

TRS.3: 6 residues within 4Å: Chain A: D.78, I.79, V.80, R.102, R.108, Y.113 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.78, A:R.102, A:R.108, A:Y.113 Water bridges: A:A.105, A:Y.113

3 x MPD: (4S)-2-METHYL-2,4-PENTANEDIOL(Non-functional Binders)

MPD.4: 5 residues within 4Å: Chain B: A.29, N.30, G.46, G.47 Ligands: MPD.6 1 PLIP interactions: 1 interactions with chain B Water bridges: B:A.29 MPD.5: 6 residues within 4Å: Chain A: S.111, N.112, V.126, Y.127, T.128, A.130 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:V.126, A:A.130 MPD.6: 4 residues within 4Å: Chain B: Y.28, A.29, S.48 Ligands: MPD.4 3 PLIP interactions: 3 interactions with chain B Hydrophobic interactions: B:Y.28, B:A.29 Hydrogen bonds: B:A.29

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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