3chb
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:3chb.gif|left|200px]] | + | [[Image:3chb.gif|left|200px]] |
| - | + | ||
| - | '''CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE''' | + | {{Structure |
| + | |PDB= 3chb |SIZE=350|CAPTION= <scene name='initialview01'>3chb</scene>, resolution 1.25Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</scene> and <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID'>MES</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 3CHB is a [ | + | 3CHB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Vibrio_cholerae Vibrio cholerae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CHB OCA]. |
==Reference== | ==Reference== | ||
| - | The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site., Merritt EA, Kuhn P, Sarfaty S, Erbe JL, Holmes RK, Hol WG, J Mol Biol. 1998 Oct 9;282(5):1043-59. PMID:[http:// | + | The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site., Merritt EA, Kuhn P, Sarfaty S, Erbe JL, Holmes RK, Hol WG, J Mol Biol. 1998 Oct 9;282(5):1043-59. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9753553 9753553] |
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Vibrio cholerae]] | [[Category: Vibrio cholerae]] | ||
| Line 21: | Line 30: | ||
[[Category: toxin/receptor complex]] | [[Category: toxin/receptor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 19:04:02 2008'' |
Revision as of 17:04, 20 March 2008
| |||||||
| , resolution 1.25Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
Overview
Crystals of the 61 kDa complex of the cholera toxin B-pentamer with the ganglioside GM1 receptor pentasaccharide diffract to near-atomic resolution. We have refined the crystallographic model for this complex using anisotropic displacement parameters for all atoms to a conventional crystallographic residual R=0.129 for all observed Bragg reflections in the resolution range 22 A to 1.25 A. Remarkably few residues show evidence of discrete conformational disorder. A notable exception is a minority conformation found for the Cys9 side-chain, which implies that the Cys9-Cys86 disulfide linkage is incompletely formed. In all five crystallographically independent instances, the peptide backbone in the region of the receptor-binding site shows evidence of strain, including unusual bond lengths and angles, and a highly non-planar (omega=153.7(7) degrees) peptide group between residues Gln49 and Val50. The location of well-ordered water molecules at the protein surface is notable reproduced among the five crystallographically independent copies of the peptide chain, both at the receptor-binding site and elsewhere. The 5-fold non-crystallographic symmetry of this complex allows an evaluation of the accuracy, reproducibility, and derived error estimates from refinement of large structures at near-atomic resolution. We find that blocked-matrix treatment of parameter covariance underestimates the uncertainty of atomic positions in the final model by approximately 10% relative to estimates based either on full-matrix inversion or on the 5-fold non-crystallographic symmetry.
About this Structure
3CHB is a Single protein structure of sequence from Vibrio cholerae. Full crystallographic information is available from OCA.
Reference
The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site., Merritt EA, Kuhn P, Sarfaty S, Erbe JL, Holmes RK, Hol WG, J Mol Biol. 1998 Oct 9;282(5):1043-59. PMID:9753553
Page seeded by OCA on Thu Mar 20 19:04:02 2008
