PDBsum entry 3p5s

Hydrolase

PDB id: 3p5s

Contents

Protein chains

238 a.a.

Ligands

NAG ×2

SO4 ×2

AVU ×2

Waters ×341

PDB id:

3p5s

Name:

Hydrolase

Title:

Structural insights into the catalytic mechanism of cd38: evidence for a conformationally flexible covalent enzyme-substrate complex

Structure:

Cd38 molecule. Chain: a, b. Synonym: ecto-NAD+ glycohydrolase. Engineered: yes

Source:

Bos taurus. Bovine,cow,domestic cattle,domestic cow. Organism_taxid: 9913. Gene: cd38. Expressed in: pichia pastoris. Expression_system_taxid: 4922

Resolution:

1.95Å R-factor: 0.209 R-free: 0.252

Authors:

P.F.Egea,H.Muller-Stauffler,I.Kohn,C.Cakou-Kefir,R.M.Stroud, E.Kellenberburger,F.Schuber

Key ref:

P.F.Egea et al. (2012). Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. Plos One, 7, e34918. PubMed id: 22529956

Date:

10-Oct-10 Release date: 19-Oct-11

Protein chains

Q9TTF5  (Q9TTF5_BOVIN) -  ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 from Bos taurus

Seq: 278 a.a.

Struc: 238 a.a.

Enzyme reactions

• Enzyme class 1: E.C.2.4.99.20 - 2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase.
• Reaction: nicotinate + NADP⁺ = nicotinate-adenine dinucleotide phosphate + nicotinamide

nicotinate (Bound ligand (Het Group name = AVU) matches with 69.39% similarity) + NADP(+) (Bound ligand (Het Group name = NAG) matches with 43.75% similarity) = nicotinate-adenine dinucleotide phosphate + nicotinamide

• Enzyme class 2: E.C.3.2.2.6 - ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
• Reaction: NAD⁺ + H2O = ADP-D-ribose + nicotinamide + H⁺

NAD(+) + H2O = ADP-D-ribose (Bound ligand (Het Group name = AVU) matches with 91.89% similarity) + nicotinamide + H(+) (Bound ligand (Het Group name = NAG) matches with 43.75% similarity)

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Plos One 7:e34918 (2012)

PubMed id: 22529956

Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.

P.F.Egea, H.Muller-Steffner, I.Kuhn, C.Cakir-Kiefer, N.J.Oppenheimer, R.M.Stroud, E.Kellenberger, F.Schuber.

ABSTRACT

No abstract given.