SMTL ID : 5wey.1

Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose

Coordinates

PDB Format

Method

NEUTRON DIFFRACTION 2.50 Å

Oligo State

monomer

Ligands

1 x MAN- MAN: alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose(Non-covalent)

MAN-MAN.1: 11 residues within 4Å: Chain A: Y.12, N.14, D.16, T.97, G.98, L.99, Y.100, A.207, D.208, G.227, R.228 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:N.14, A:G.98, A:L.99, A:L.99, A:Y.100, A:D.208, A:D.208, A:R.228 Water bridges: A:T.226

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

MN.2: 4 residues within 4Å: Chain A: E.8, D.10, D.19, H.24 8 PLIP interactions: 4 interactions with chain A, 4 Ligand-Water interactions Metal complexes: A:E.8, A:D.10, A:D.19, A:H.24, H2O.2, H2O.2, H2O.3, H2O.3

1 x CA: CALCIUM ION(Post Translational Modification)

CA.3: 5 residues within 4Å: Chain A: D.10, Y.12, N.14, D.19, R.228 7 PLIP interactions: 3 interactions with chain A, 4 Ligand-Water interactions Metal complexes: A:D.10, A:Y.12, A:D.19, H2O.1, H2O.1, H2O.3, H2O.3

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Gerlits, O.O. et al., Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry (2017)

Release Date

2017-09-13

Peptides

Concanavalin-A: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Concanavalin-A

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