SMTL ID : 5t5j.1 (1 other biounit)

LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.35 Å

Oligo State

monomer

Ligands

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

ACA-SER-SER-VAL-GLY.1: 4 residues within 4Å: Chain A: T.125, E.126 Ligands: EDO.8, A2G.9 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:E.126, A:E.126 Water bridges: A:Q.43, A:N.124

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.2, H2O.4 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.3, H2O.3

5 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 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:S.224 EDO.5: 4 residues within 4Å: Chain A: D.88, F.89, P.90, K.92 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:D.88, A:K.92 Water bridges: A:D.88, A:K.92, A:K.92, A:E.102, A:K.113 EDO.6: 3 residues within 4Å: Chain A: G.184, N.185, Y.186 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.185 EDO.7: 5 residues within 4Å: Chain A: T.109, S.141, V.143, S.144, V.145 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.144 Water bridges: A:S.141 EDO.8: 5 residues within 4Å: Chain A: R.93, Y.97, P.103 Ligands: ACA-SER-SER-VAL-GLY.1, A2G.9 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.93 Water bridges: A:R.93

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

A2G.9: 14 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: ACA-SER-SER-VAL-GLY.1, ACA-SER-SER-VAL-GLY.1, EDO.8 10 PLIP interactions: 10 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, A:Q.212

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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