SMTL ID : 1wmz.1 (2 other biounits)

Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-dimer

Ligands

1 x NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)

NGA.1: 10 residues within 4Å: Chain A: Q.70, Q.101, D.103, W.105, E.109, Q.113, R.115, N.123, D.124 Ligands: CA.3 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:Q.70 Hydrogen bonds: A:Q.101, A:R.115, A:N.123, A:N.123 Water bridges: A:N.125 Salt bridges: A:R.115

6 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: D.77, E.81, N.104, E.109, D.110 Ligands: CA.4 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.77, A:D.77, A:E.81, A:D.110, H2O.2 CA.3: 6 residues within 4Å: Chain A: Q.101, D.103, E.109, N.123, D.124 Ligands: NGA.1 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.103, A:E.109, A:D.124, A:D.124 CA.4: 3 residues within 4Å: Chain A: E.81, D.110 Ligands: CA.2 3 PLIP interactions: 2 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.81, A:D.110, H2O.1 CA.6: 6 residues within 4Å: Chain B: D.77, E.81, N.104, E.109, D.110 Ligands: CA.8 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.77, B:D.77, B:E.81, B:E.81, H2O.7 CA.7: 6 residues within 4Å: Chain B: Q.101, D.103, E.109, N.123, D.124 Ligands: A2G.5 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.103, B:E.109, B:D.124, B:D.124 CA.8: 3 residues within 4Å: Chain B: E.81, D.110 Ligands: CA.6 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.81, B:D.110, B:D.110, H2O.6, H2O.6

1 x A2G: 2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G.5: 10 residues within 4Å: Chain B: Q.70, Q.101, D.103, W.105, E.109, Q.113, R.115, N.123, D.124 Ligands: CA.7 6 PLIP interactions: 6 interactions with chain B Hydrophobic interactions: B:Q.70 Hydrogen bonds: B:Q.101, B:E.109, B:R.115, B:N.123 Water bridges: B:N.125

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Sugawara, H. et al., Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis. J.Biol.Chem. (2004)

Release Date

2004-09-07

Peptides

lectin CEL-I, N-acetyl-D-galactosamine-specific C-type: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

lectin CEL-I, N-acetyl-D-galactosamine-specific C-type

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