SMTL ID : 1fx5.1

CRYSTAL STRUCTURE ANALYSIS OF ULEX EUROPAEUS LECTIN I

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.20 Å

Oligo State

homo-dimer

Ligands

1 x NAG- NAG- BMA- XYL- MAN- MAN- FUC: Xylitol-(1-2)-[alpha-D-mannopyranose-(1-3)][alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG-BMA-XYL-MAN-MAN-FUC.1: 7 residues within 4Å: Chain A: N.23, N.40, L.41, P.42, T.45, G.46, L.100 1 PLIP interactions: 1 interactions with chain A Water bridges: A:E.44

2 x NAG- FUC- NAG: alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)(Non-covalent)

NAG-FUC-NAG.2: 5 residues within 4Å: Chain A: R.101, N.111, D.116, S.118, Y.119 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.116 Water bridges: A:N.111 NAG-FUC-NAG.3: 3 residues within 4Å: Chain B: N.111, D.116, Y.119 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:D.116

2 x MN: MANGANESE (II) ION(Non-functional Binders)

MN.4: 4 residues within 4Å: Chain A: E.125, D.127, D.137, H.142 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.125, A:D.127, A:D.137, A:H.142, H2O.1, H2O.1 MN.7: 4 residues within 4Å: Chain B: E.125, D.127, D.137, H.142 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.125, B:D.127, B:D.137, B:H.142, H2O.6

2 x CA: CALCIUM ION(Non-functional Binders)(Post Translational Modification)

CA.5: 4 residues within 4Å: Chain A: D.127, I.129, N.134, D.137 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.127, A:I.129, A:D.137, H2O.1, H2O.1 CA.8: 4 residues within 4Å: Chain B: D.127, I.129, N.134, D.137 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.127, B:I.129, B:D.137, H2O.6, H2O.6

2 x MRD: (4R)-2-METHYLPENTANE-2,4-DIOL(Non-functional Binders)

MRD.6: 9 residues within 4Å: Chain A: E.44, T.86, D.87, G.104, G.105, V.133, N.134, W.136, Y.219 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:T.86, A:V.133, A:W.136, A:Y.219 Hydrogen bonds: A:E.44, A:E.44, A:G.105, A:N.134 MRD.9: 9 residues within 4Å: Chain B: E.44, D.87, R.102, G.104, G.105, Y.106, I.129, N.134, Y.219 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:Y.106, B:Y.219, B:Y.219 Hydrogen bonds: B:E.44, B:G.105, B:N.134, B:N.134

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Audette, G.F. et al., The 2.2 A resolution structure of the O(H) blood-group-specific lectin I from Ulex europaeus. J.Mol.Biol. (2000)

Release Date

2001-01-17

Peptides

ANTI-H(O) LECTIN I: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

ANTI-H(O) LECTIN I

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