SMTL ID : 4not.1

Crystal structure of Dioclea sclerocarpa lectin complexed with X-man

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.35 Å

Oligo State

homo-dimer

Ligands

2 x MN: MANGANESE (II) ION(Non-covalent)

MN.1: 4 residues within 4Å: Chain A: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.8, A:D.10, A:D.19, A:H.24, H2O.1, H2O.1 MN.4: 4 residues within 4Å: Chain B: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.8, B:D.10, B:D.19, B:H.24, H2O.4, H2O.4

2 x CA: CALCIUM ION(Non-covalent)

CA.2: 4 residues within 4Å: Chain A: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.10, A:Y.12, A:D.19, H2O.1, H2O.1 CA.5: 4 residues within 4Å: Chain B: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.10, B:Y.12, B:D.19, H2O.4, H2O.4

2 x XMM: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside(Non-covalent)

XMM.3: 9 residues within 4Å: Chain A: Y.12, N.14, G.98, L.99, Y.100, A.207, D.208, G.227, R.228 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:L.99 Hydrogen bonds: A:N.14, A:L.99, A:Y.100, A:Y.100, A:R.228 Water bridges: A:Y.12, A:G.226, A:R.228 XMM.6: 9 residues within 4Å: Chain B: Y.12, N.14, G.98, L.99, Y.100, A.207, D.208, G.227, R.228 9 PLIP interactions: 9 interactions with chain B Hydrophobic interactions: B:L.99 Hydrogen bonds: B:N.14, B:L.99, B:Y.100, B:Y.100, B:R.228 Water bridges: B:Y.12, B:G.226, B:R.228

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Barroso-Neto, I.L. et al., Crystal structure of Dioclea sclerocarpa lectin complexed with X-man. To be Published

Release Date

2015-01-21

Peptides

Lectin alpha chain: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

Lectin alpha chain