SMTL ID : 5t5p.1 (1 other biounit)

LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.66 Å

Oligo State

monomer

Ligands

1 x ACE- SER- THR- VAL: TN ANTIGEN ACE-SER-THR-VAL-GLY(Non-covalent)

ACE-SER-THR-VAL.1: 4 residues within 4Å: Chain A: W.122, T.125, E.126 Ligands: A2G.6 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:W.122 Hydrogen bonds: A:T.125, A:E.126, A:E.126, A:E.126 Water bridges: A:N.124, A:T.125

2 x CA: CALCIUM ION(Non-covalent)

CA.2: 4 residues within 4Å: Chain A: E.118, D.120, E.129, H.134 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.118, A:D.120, A:E.129, A:H.134, H2O.1, H2O.2 CA.3: 4 residues within 4Å: Chain A: D.120, W.122, N.124, E.129 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.120, A:W.122, A:E.129, H2O.2, H2O.3

2 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.4: 5 residues within 4Å: Chain A: S.60, F.61, Y.62, S.224, T.226 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.224, A:T.226, A:T.226 Water bridges: A:S.224 EDO.5: 1 residues within 4Å: Chain A: Q.11 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:Q.11, A:Q.11

1 x A2G: 2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G.6: 13 residues within 4Å: Chain A: A.77, D.78, G.95, G.96, Y.97, W.122, N.124, E.126, W.127, G.211, Q.212 Ligands: ACE-SER-THR-VAL.1, ACE-SER-THR-VAL.1 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:Y.97, A:E.126, A:W.127 Hydrogen bonds: A:D.78, A:G.96, A:N.124, A:E.126, A:Q.212 Water bridges: A:G.211

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lubkowski, J. et al., Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth. FEBS J. (2017)

Release Date

2016-12-28

Peptides

Lectin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Lectin

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