PDBsum entry 1hqw

Lectin binding

PDB id: 1hqw

Contents

Protein chain

237 a.a. *

Ligands

TYR-PRO-TYR

PTD

Metals

_MN

_CA

Waters ×117

* Residue conservation analysis

PDB id:

1hqw

Name:

Lectin binding

Title:

Crystal structure of the complex of concanavalin a with a tripeptide ypy

Structure:

Concanavalin a. Chain: a. Ypy. Chain: b. Engineered: yes

Source:

Canavalia ensiformis. Jack bean. Organism_taxid: 3823. Synthetic: yes. Other_details: the peptide was chemically synthesized

Biol. unit:

Octamer (from PDB file)

Resolution:

2.40Å R-factor: 0.175 R-free: 0.237

Authors:

Z.Zhang,M.Qian,Q.Huang,Y.Jia,Y.Tang,K.Wang,D.Cui,M.Li

Key ref:

Z.Zhang et al. (2001). Crystal structure of the complex of concanavalin A and tripeptide. J Protein Chem, 20, 59-65. PubMed id: 11330349

Date:

20-Dec-00 Release date: 07-Oct-03

Protein chain

P02866  (CONA_CANEN) -  Concanavalin-A from Canavalia ensiformis

Seq: 290 a.a.

Struc: 237 a.a.*

* PDB and UniProt seqs differ at 26 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.?

J Protein Chem 20:59-65 (2001)

PubMed id: 11330349

Crystal structure of the complex of concanavalin A and tripeptide.

Z.Zhang, M.Qian, Q.Huang, Y.Jia, Y.Tang, K.Wang, D.Cui, M.Li.

ABSTRACT

The X-ray structure analysis of a cross-linked crystal of concanavalin A soaked with the tripeptide molecule as the probe molecule showed electron density corresponding to full occupation in the binding pocket. The site lies on the surface of concanavalin A and is surrounded by three symmetry-related molecules. The crystal structure of the tripeptide complex was refined at 2.4-A resolution to an R-factor of 17.5%, (Rfree factor of 23.7%), with an RMS deviation in bond distances of 0.01 A. The model includes all 237 residue of concanavalin A, 1 manganese ion, 1 calcium ion, 161 water molecules, 1 glutaraldehyde molecule, and 1 tripeptide molecule. This X-ray structure analysis also provides an approach to mapping the binding surface of crystalline protein with a probe molecule that is dissolved in a mixture of organic solvent with water or in neat organic solvent but is hardly dissolved in aqueous solution.