SMTL ID : 3mit.1

Structure of Banana lectin-alpha-D-mannose complex

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.32 Å

Oligo State

homo-dimer

Ligands

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

MAN.1: 7 residues within 4Å: Chain A: G.34, D.35, V.36, D.38, G.59, G.60, F.131 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:G.34, A:D.35, A:V.36, A:V.36, A:G.60 MAN.2: 9 residues within 4Å: Chain A: G.14, G.15, V.86, V.88, G.129, D.130, F.131, D.133 Ligands: HEZ.7 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.15, A:G.129, A:D.130, A:F.131, A:F.131 Water bridges: A:V.87 MAN.3: 7 residues within 4Å: Chain A: S.33, G.34, T.61, H.63, F.104, G.105, N.106 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:G.105, A:G.105, A:N.106 Salt bridges: A:H.63 MAN.8: 8 residues within 4Å: Chain B: G.34, D.35, V.36, D.38, G.59, G.60, Y.83, F.131 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:G.34, B:D.35, B:V.36, B:V.36, B:G.60, B:Y.83 Water bridges: B:G.59 MAN.9: 8 residues within 4Å: Chain B: G.14, G.15, V.86, V.88, G.129, D.130, F.131, D.133 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:G.15, B:G.129, B:D.130, B:F.131, B:F.131 Water bridges: B:V.87 MAN.10: 8 residues within 4Å: Chain B: S.33, G.34, T.61, H.63, P.103, F.104, G.105, N.106 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:G.34, B:G.105, B:G.105 Salt bridges: B:H.63

2 x ZN: ZINC ION(Non-covalent)

ZN.4: 2 residues within 4Å: Chain A: K.30, E.64 3 PLIP interactions: 2 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.64, A:E.64, H2O.3 ZN.11: 3 residues within 4Å: Chain B: F.32, D.41, H.54 4 PLIP interactions: 3 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.41, B:D.41, B:H.54, H2O.6

5 x HEZ: HEXANE-1,6-DIOL(Non-covalent)

HEZ.5: 6 residues within 4Å: Chain A: M.20, F.44, Y.46, K.49, E.51, R.53 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:Y.46 Hydrogen bonds: A:K.49, A:R.53 HEZ.6: 11 residues within 4Å: Chain A: G.75, M.76, K.77, G.93, F.94, S.95, S.100, Y.101, G.102, S.113, P.115 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:G.102 Water bridges: A:S.113, A:S.113 HEZ.7: 5 residues within 4Å: Chain A: Y.83, H.84, V.86, F.131 Ligands: MAN.2 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:H.84, A:V.86, A:F.131 Water bridges: A:Y.83 HEZ.12: 5 residues within 4Å: Chain B: G.11, G.12, N.13, F.80, V.87 6 PLIP interactions: 6 interactions with chain B Hydrophobic interactions: B:V.87 Hydrogen bonds: B:N.13 Water bridges: B:G.11, B:V.87, B:V.87, B:V.87 HEZ.13: 10 residues within 4Å: Chain B: G.75, M.76, K.77, G.93, F.94, S.95, S.100, Y.101, P.103, P.115 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:K.77 Hydrogen bonds: B:Y.101

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Sharma, A. et al., Influence of glycosidic linkage on the nature of carbohydrate binding in beta-prism I fold lectins: an X-ray and molecular dynamics investigation on banana lectin-carbohydrate complexes. Glycobiology (2011)

Release Date

2010-09-08

Peptides

Lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Lectin

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