SMTL ID : 5d9z.1

Structure of Colocasia Esculenta Agglutinin with mannose bound

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.85 Å

Oligo State

hetero-1-1-mer

Ligands

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

BMA.1: 3 residues within 4Å: Chain A: Y.36, N.39, W.40 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:W.40 BMA.2: 7 residues within 4Å: Chain A: W.40, Q.41, W.72, R.73, S.74, R.75 Chain B: W.106 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:W.40 Water bridges: A:R.75 BMA.3: 4 residues within 4Å: Chain A: H.88 Chain B: H.62, D.87, Q.111 3 PLIP interactions: 2 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:S.11 Water bridges: B:A.112 Salt bridges: A:R.92 BMA.4: 5 residues within 4Å: Chain B: Q.31, D.33, N.35, Y.39, Q.46 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.33, B:N.35 Water bridges: B:Q.46, B:Q.46 BMA.5: 1 residues within 4Å: Chain B: N.1 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:N.1, B:N.1

1 x PO4: PHOSPHATE ION(Non-functional Binders)

PO4.6: 9 residues within 4Å: Chain A: P.89 Chain B: I.2, P.3, F.4, T.5, L.8, L.9, F.10, Q.13 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:F.4, B:T.5, B:T.5, B:T.5, B:L.8, B:Q.13, B:Q.13

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Chattopadhyaya, R., High resolution crystal structures of Colocasia esculenta agglutinin with and without mannose. to be published

Release Date

2016-02-24

Peptides

Tuber agglutinin: A
Tuber agglutinin: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Tuber agglutinin

Tuber agglutinin

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