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

STRUCTURE OF TC14; A C-TYPE LECTIN FROM THE TUNICATE POLYANDROCARPA MISAKIENSIS

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

4 x CA: CALCIUM ION(Non-covalent)(Non-functional Binders)

CA.1: 6 residues within 4Å: Chain A: E.86, S.88, N.89, D.107, D.108 Ligands: GOL.16 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.86, A:D.107, A:D.108, A:D.108 CA.6: 6 residues within 4Å: Chain B: E.86, S.88, N.89, D.107, D.108 Ligands: GOL.17 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:E.86, B:D.107, B:D.108, B:D.108 CA.9: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP) CA.12: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP)

7 x ZN: ZINC ION(Non-covalent)(Non-functional Binders)

ZN.2: 1 residues within 4Å: Chain A: D.2 2 PLIP interactions: 2 interactions with chain A Metal complexes: A:D.2, A:D.2 ZN.3: 5 residues within 4Å: Chain A: D.52, W.100, R.115 Ligands: ACT.4, ACT.5 3 PLIP interactions: 1 interactions with chain A, 2 Ligand-Ligand interactions Metal complexes: A:D.52, ACT.4, ACT.5 ZN.10: 1 residues within 4Å: Chain B: E.10 3 PLIP interactions: 2 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.10, B:E.10, H2O.270 ZN.11: 2 residues within 4Å: Chain A: D.2, D.35 4 PLIP interactions: 1 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:D.35, H2O.59, H2O.121, H2O.122 ZN.13: 4 residues within 4Å: Chain B: D.52, R.115 Ligands: ACT.7, ACT.8 5 PLIP interactions: 2 interactions with chain B, 2 Ligand-Ligand interactions, 1 Ligand-Water interactions Metal complexes: B:D.52, B:D.52, ACT.7, ACT.8, H2O.276 ZN.14: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP) ZN.15: 2 residues within 4Å: Chain B: D.2, D.35 3 PLIP interactions: 1 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.35, H2O.278, H2O.279

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

ACT.4: 8 residues within 4Å: Chain A: D.52, Q.98, W.100, D.107, R.115 Ligands: ZN.3, ACT.5, GOL.16 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:Q.98 Salt bridges: A:R.115 ACT.5: 4 residues within 4Å: Chain A: D.52, R.115 Ligands: ZN.3, ACT.4 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:R.115 ACT.7: 8 residues within 4Å: Chain B: D.52, Q.98, W.100, D.107, R.115 Ligands: ACT.8, ZN.13, GOL.17 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:Q.98 Salt bridges: B:R.115 ACT.8: 4 residues within 4Å: Chain B: D.52, R.115 Ligands: ACT.7, ZN.13 1 PLIP interactions: 1 interactions with chain B Salt bridges: B:R.115

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.16: 9 residues within 4Å: Chain A: E.86, S.88, N.89, W.100, D.107, D.108, V.109 Ligands: CA.1, ACT.4 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.88, A:D.107 Water bridges: A:N.89 GOL.17: 9 residues within 4Å: Chain B: E.86, S.88, N.89, W.100, D.107, D.108, V.109 Ligands: CA.6, ACT.7 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:S.88, B:D.107 Water bridges: B:N.89

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Poget, S.F. et al., The structure of a tunicate C-type lectin from Polyandrocarpa misakiensis complexed with D -galactose. J.Mol.Biol. (1999)

Release Date

1999-07-23

Peptides

PROTEIN (POLYANDROCARPA LECTIN): AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

PROTEIN (POLYANDROCARPA LECTIN)

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