SMTL ID : 8ad2.1 (3 other biounits)

Tobacco lectin Nictaba in complex with triacetylchitotriose

Coordinates

PDB Format Compare

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

2 x NAG- NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-NAG.1: 9 residues within 4Å: Chain A: T.15, W.16, Y.22, V.40, A.41, W.42, D.149, K.150, W.152 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.15, A:T.15 NAG-NAG-NAG.2: 9 residues within 4Å: Chain B: T.15, W.16, Y.22, V.40, A.41, W.42, D.149, K.150, W.152 No protein-ligand interaction detected (PLIP)

6 x ZN: ZINC ION(Non-covalent)

ZN.3: 4 residues within 4Å: Chain A: Y.63, H.116, E.124, R.164 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:H.116, A:E.124, H2O.1, H2O.3, H2O.4 ZN.5: 1 residues within 4Å: Chain B: H.116 3 PLIP interactions: 1 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:H.116, H2O.7, H2O.7 ZN.6: 3 residues within 4Å: Chain B: K.48, E.50, E.139 2 PLIP interactions: 2 interactions with chain B Metal complexes: B:E.50, B:E.139 ZN.7: 2 residues within 4Å: Chain B: R.83, E.141 5 PLIP interactions: 2 interactions with chain B, 3 Ligand-Water interactions Metal complexes: B:E.141, B:E.141, H2O.6, H2O.7, H2O.7 ZN.8: 1 residues within 4Å: Chain B: E.74 2 PLIP interactions: 1 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.74, H2O.6 ZN.9: 1 residues within 4Å: Chain B: D.137 3 PLIP interactions: 2 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.137, B:D.137, H2O.8

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.4: 1 residues within 4Å: Chain A: K.48 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Bloch, Y. et al., Tobacco lectin Nictaba in complex with triacetylchitotriose (CASP target). To Be Published

Release Date

2023-01-18

Peptides

Nictaba: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Nictaba

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