1ay3
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:1ay3.jpg|left|200px]] | + | [[Image:1ay3.jpg|left|200px]] |
| - | + | ||
| - | '''NODULARIN FROM NODULARIA SPUMIGENA''' | + | {{Structure |
| + | |PDB= 1ay3 |SIZE=350|CAPTION= <scene name='initialview01'>1ay3</scene> | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=MFD:(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID'>MFD</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''NODULARIN FROM NODULARIA SPUMIGENA''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 1AY3 is a [ | + | 1AY3 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Nodularia_spumigena Nodularia spumigena]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AY3 OCA]. |
==Reference== | ==Reference== | ||
| - | Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases., Annila A, Lehtimaki J, Mattila K, Eriksson JE, Sivonen K, Rantala TT, Drakenberg T, J Biol Chem. 1996 Jul 12;271(28):16695-702. PMID:[http:// | + | Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases., Annila A, Lehtimaki J, Mattila K, Eriksson JE, Sivonen K, Rantala TT, Drakenberg T, J Biol Chem. 1996 Jul 12;271(28):16695-702. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8663277 8663277] |
[[Category: Nodularia spumigena]] | [[Category: Nodularia spumigena]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| Line 16: | Line 25: | ||
[[Category: MFD]] | [[Category: MFD]] | ||
[[Category: hepatotoxin]] | [[Category: hepatotoxin]] | ||
| - | [[Category: inhibitor of ser/thr-specific protein | + | [[Category: inhibitor of ser/thr-specific protein phosphatase]] |
| - | ''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 10:03:43 2008'' |
Revision as of 08:03, 20 March 2008
| |||||||
| Ligands: | |||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
NODULARIN FROM NODULARIA SPUMIGENA
Overview
The three-dimensional solution structure of nodularin was studied by NMR and molecular dynamics simulations. The conformation in water was determined from the distance and dihedral data by distance geometry and refined by iterative relaxation matrix analysis. The cyclic backbone adopts a well defined conformation but the remote parts of the side chains of arginine as well as the amino acid derivative Adda have a large spatial dispersion. For the unusual amino acids the partial charges were calculated and nodularin was subjected to molecular dynamic simulations in water. A good agreement was found between experimental and computational data with hydrogen bonds, solvent accessibility, molecular motion, and conformational exchange. The three-dimensional structure resembles very closely that of microcystin-LR in the chemically equivalent segment. Therefore, it is expected that the binding of both microcystins and nodularins to serine/threonine-specific protein phosphatases is similar on an atomic level.
About this Structure
1AY3 is a Protein complex structure of sequences from Nodularia spumigena. Full crystallographic information is available from OCA.
Reference
Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases., Annila A, Lehtimaki J, Mattila K, Eriksson JE, Sivonen K, Rantala TT, Drakenberg T, J Biol Chem. 1996 Jul 12;271(28):16695-702. PMID:8663277
Page seeded by OCA on Thu Mar 20 10:03:43 2008
