PDBsum entry 1jw6

Sugar binding protein

PDB id: 1jw6

Contents

Protein chain

237 a.a. *

Ligands

MET-TYR-TRP-TYR-PRO-TYR

PTD

IPA

Metals

_MN

_CA

Waters ×95

* Residue conservation analysis

PDB id:

1jw6

Name:

Sugar binding protein

Title:

Crystal structure of the complex of concanavalin a and hexapeptide

Structure:

Concanavalin a. Chain: a. Protein (6-mer). Chain: b. Engineered: yes

Source:

Canavalia ensiformis. Jack bean. Organism_taxid: 3823. Synthetic: yes. Synthetic construct. Organism_taxid: 32630. Other_details: this sequence coming from polypeptide libery.

Resolution:

1.93Å R-factor: 0.190 R-free: 0.250

Authors:

Z.Zhang,M.Qian,Q.Huang,Y.Jia,Y.Tang

Key ref:

Z.Zhang et al. (2001). Crystal structure of the complex of concanavalin A and hexapeptide. J Protein Chem, 20, 423-429. PubMed id: 11732694

Date:

02-Sep-01 Release date: 26-Sep-01

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)

J Protein Chem 20:423-429 (2001)

PubMed id: 11732694

Crystal structure of the complex of concanavalin A and hexapeptide.

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 a hexapeptide molecule as a probe molecule showed an 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 hexapeptide complex was refined at 1.93-A resolution, to an R-factor of 19% (Rfree factor of 25%), with an RMS deviation in bond distances of 0.01 A. The model includes all 237 residues of concanavalin A, one manganese ion, one calcium ion, 95 water molecules, one glutaraldehyde molecule, one isopropanol molecule, and one hexapeptide 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 the mixture of organic solvent with water or in neat organic solvent but is hardly dissolved in aqueous solution.