5L0E

Crystal Structure of Autotaxin and Compound 1

Summary for 5L0E

• Entry DOI: 10.2210/pdb5l0e/pdb
• Related: 5L0B 5L0K
• Descriptor: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total)
• Functional Keywords: phospholipase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Rattus norvegicus (Rat)
• Total number of polymer chains: 2
• Total formula weight: 204357.88

Authors

Durbin, J.D. (deposition date: 2016-07-27, release date: 2016-08-10, Last modification date: 2020-07-29)

• Primary citation: Jones, S.B.,Pfeifer, L.A.,Bleisch, T.J.,Beauchamp, T.J.,Durbin, J.D.,Klimkowski, V.J.,Hughes, N.E.,Rito, C.J.,Dao, Y.,Gruber, J.M.,Bui, H.,Chambers, M.G.,Chandrasekhar, S.,Lin, C.,McCann, D.J.,Mudra, D.R.,Oskins, J.L.,Swearingen, C.A.,Thirunavukkarasu, K.,Norman, B.H.; Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.; Acs Med.Chem.Lett., 7:857-861, 2016; PubMed: 27660691; DOI: 10.1021/acsmedchemlett.6b00207

Experimental method

X-RAY DIFFRACTION (3.06 Å)