SMTL ID : 1wmy.1 (1 other biounit)

Crystal Structure of C-type Lectin CEL-I from Cucumaria echinata

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

6 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: D.77, E.81, N.104, E.109, D.110 Ligands: CA.3 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.77, A:D.77, A:E.109, A:D.110, H2O.19 CA.2: 6 residues within 4Å: Chain A: Q.101, D.103, E.109, N.123, D.124 Ligands: MPD.4 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.103, A:E.109, A:D.124, A:D.124 CA.3: 3 residues within 4Å: Chain A: E.81, D.110 Ligands: CA.1 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:D.110, A:D.110, H2O.20, H2O.53, H2O.75 CA.5: 6 residues within 4Å: Chain B: D.77, E.81, N.104, E.109, D.110 Ligands: CA.7 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.109, H2O.144 CA.6: 6 residues within 4Å: Chain B: Q.101, D.103, E.109, N.123, D.124 Ligands: MPD.8 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.103, B:E.109, B:D.124, B:D.124 CA.7: 3 residues within 4Å: Chain B: E.81, D.110 Ligands: CA.5 5 PLIP interactions: 2 interactions with chain B, 3 Ligand-Water interactions Metal complexes: B:E.81, B:D.110, H2O.145, H2O.177, H2O.243

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

MPD.4: 7 residues within 4Å: Chain A: Q.101, D.103, E.109, N.123, D.124, N.125 Ligands: CA.2 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.101, A:E.109, A:N.123, A:N.123 MPD.8: 8 residues within 4Å: Chain B: Q.101, D.103, W.105, E.109, N.123, D.124, N.125 Ligands: CA.6 4 PLIP interactions: 4 interactions with chain B Hydrophobic interactions: B:W.105 Hydrogen bonds: B:Q.101, B:D.103, B:N.123

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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