SMTL ID : 1loc.1 (1 other biounit)

INTERACTION OF A LEGUME LECTIN WITH TWO COMPONENTS OF THE BACTERIAL CELL WALL

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.05 Å

Oligo State

hetero-2-2-mer

Ligands

2 x MDP- DAL- ZGL: MURAMYL-DIPEPTIDE D-ALA-D-IGLN(Non-covalent)

MDP-DAL-ZGL.1: 13 residues within 4Å: Chain A: A.80, D.81, T.96, G.97, G.98, G.99, Y.100, F.123, N.125, W.128 Chain B: G.29, A.30, E.31 7 PLIP interactions: 3 interactions with chain A, 4 interactions with chain B Hydrophobic interactions: A:W.128 Hydrogen bonds: A:G.99, A:N.125, B:G.29, B:A.30, B:E.31, B:E.31 MDP-DAL-ZGL.2: 12 residues within 4Å: Chain C: A.80, D.81, T.96, G.98, G.99, Y.100, F.123, N.125, W.128 Chain D: G.29, A.30, E.31 7 PLIP interactions: 3 interactions with chain C, 4 interactions with chain D Hydrophobic interactions: C:W.128 Hydrogen bonds: C:G.99, C:N.125, D:G.29, D:A.30, D:E.31, D:E.31

2 x CA: CALCIUM ION(Non-covalent)

CA.3: 4 residues within 4Å: Chain A: D.121, F.123, N.125, D.129 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.121, A:F.123, A:D.129, H2O.2, H2O.2 CA.5: 4 residues within 4Å: Chain C: D.121, F.123, N.125, D.129 5 PLIP interactions: 3 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:D.121, C:F.123, C:D.129, H2O.5, H2O.5

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

MN.4: 4 residues within 4Å: Chain A: E.119, D.121, D.129, H.136 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.119, A:D.121, A:D.129, A:H.136, H2O.2 MN.6: 4 residues within 4Å: Chain C: E.119, D.121, D.129, H.136 6 PLIP interactions: 4 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:E.119, C:D.121, C:D.129, C:H.136, H2O.5, H2O.5

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bourne, Y. et al., Interaction of a legume lectin with two components of the bacterial cell wall. A crystallographic study. J.Biol.Chem. (1994)

Release Date

1994-04-30

Peptides

LEGUME ISOLECTIN I (ALPHA CHAIN): AC
LEGUME ISOLECTIN I (BETA CHAIN): BD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

B
B

D
D

LEGUME ISOLECTIN I (ALPHA CHAIN)

LEGUME ISOLECTIN I (BETA CHAIN)

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