SMTL ID : 8jea.1 (1 other biounit)

Crystal structure of CGL1 from Crassostrea gigas, mannotriose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 0.97 Å

Oligo State

homo-dimer

Ligands

1 x MAN- MAN: alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose(Non-covalent)

MAN-MAN.1: 11 residues within 4Å: Chain A: D.21, I.22, K.42, H.46, L.47, E.48, H.51, E.58, I.60, F.125, A.126 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.21, A:K.42, A:E.58, A:A.126

2 x ACY: ACETIC ACID(Non-functional Binders)

ACY.2: 4 residues within 4Å: Chain A: S.5, N.63, Y.64, E.65 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.64 Water bridges: A:R.31, A:Y.64 ACY.3: 4 residues within 4Å: Chain A: A.1, W.3, L.67, I.92 1 PLIP interactions: 1 interactions with chain A Hydrophobic interactions: A:L.67

1 x MG: MAGNESIUM ION(Non-covalent)

MG.4: 1 residues within 4Å: Chain A: S.5 5 PLIP interactions: 1 interactions with chain A, 4 Ligand-Water interactions Metal complexes: A:S.5, H2O.1, H2O.1, H2O.5, H2O.8

1 x CAC: CACODYLATE ION(Non-covalent)

CAC.5: 7 residues within 4Å: Chain B: P.53, F.54, A.55, K.113, H.115, Y.122, E.129 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:A.55, B:K.113, B:E.129

1 x MAN: alpha-D-mannopyranose(Non-covalent)

MAN.6: 8 residues within 4Å: Chain B: D.21, I.22, K.42, L.47, H.51, E.58, F.125, A.126 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.21, B:K.42, B:E.58, B:A.126

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Hatakeyama, T. et al., Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis. J.Biochem. (2023)

Release Date

2023-10-25

Peptides

Natterin-3: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
D

Natterin-3

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