SMTL ID : 5idb.1

Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN2)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.00 Å

Oligo State

homo-dimer

Ligands

4 x BMA: beta-D-mannopyranose(Non-covalent)

BMA.1: 10 residues within 4Å: Chain A: D.21, I.22, K.42, L.47, H.51, E.58, F.125, A.126, G.127 Ligands: MAN.2 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:K.42, A:E.58, A:A.126, A:G.127 Water bridges: A:D.21, A:D.21, A:H.51, A:E.58 Salt bridges: A:K.42 BMA.3: 9 residues within 4Å: Chain A: F.54, A.55, G.56, I.98, K.113, H.115, F.118, Y.122, E.129 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:A.55, A:G.56, A:K.113, A:E.129 Water bridges: A:E.37, A:E.37, A:H.115, A:H.115, A:E.129 Salt bridges: A:K.113 BMA.4: 10 residues within 4Å: Chain B: D.21, I.22, K.42, L.47, H.51, E.58, F.125, A.126, G.127 Ligands: MAN.5 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:K.42, B:E.58, B:A.126, B:G.127 Water bridges: B:D.21, B:D.21, B:D.21 Salt bridges: B:K.42 BMA.6: 8 residues within 4Å: Chain B: F.54, A.55, G.56, K.113, H.115, F.118, Y.122, E.129 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:A.55, B:G.56, B:K.113, B:E.129 Water bridges: B:E.37, B:H.115, B:H.115, B:H.115

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

MAN.2: 10 residues within 4Å: Chain A: D.21, I.22, K.42, L.47, H.51, E.58, F.125, A.126, G.127 Ligands: BMA.1 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:K.42, A:A.126 Water bridges: A:D.21, A:D.21, A:H.51 MAN.5: 10 residues within 4Å: Chain B: D.21, I.22, K.42, L.47, H.51, E.58, F.125, A.126, G.127 Ligands: BMA.4 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:K.42, B:A.126 Water bridges: B:D.21, B:D.21, B:D.21, B:H.51

1 x NHE: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID(Non-covalent)

NHE.7: 8 residues within 4Å: Chain B: A.1, E.2, W.3, L.67, L.77, I.92, L.138, K.140 9 PLIP interactions: 9 interactions with chain B Hydrophobic interactions: B:L.67, B:L.77, B:I.92, B:I.92 Hydrogen bonds: B:W.3 Water bridges: B:A.1, B:R.31, B:R.31, B:R.31

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Unno, H. et al., Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas. Sci Rep (2016)

Release Date

2016-07-06

Peptides

Natterin-3: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
B

B
A

Natterin-3