PDBsum entry 3oad

Hydrolase

PDB id

3oad

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Contents

			Protein chains

					162 a.a. *


					171 a.a. *

			Ligands

					NAG ×2


					LPO ×2

			Waters ×145

* Residue conservation analysis

PDB id:

3oad

Links

Name:

Hydrolase

Title:

Design and optimization of new piperidines as renin inhibitors

Structure:

Renin. Chain: a, c. Fragment: unp residue 67-232. Synonym: angiotensinogenase. Engineered: yes. Renin. Chain: b, d. Fragment: unp residue 237-406. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: ren. Expressed in: cricetulus griseus. Expression_system_taxid: 10029. Expression_system_taxid: 10029

Resolution:

2.17Å

R-factor:

0.217

R-free:

0.291

Authors:

L.Prade

Key ref:

O.Corminboeuf et al. (2010). Design and optimization of new piperidines as renin inhibitors. Bioorg Med Chem Lett, 20, 6286-6290. PubMed id: 20843686

Date:

05-Aug-10

Release date:

03-Nov-10

PROCHECK

	Headers

	References

Protein chains

P00797 (RENI_HUMAN) - Renin from Homo sapiens

Seq: Struc:					406 a.a. 162 a.a.

Protein chains

P00797 (RENI_HUMAN) - Renin from Homo sapiens

Seq: Struc:					406 a.a. 171 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

Chains A, B, C, D: E.C.3.4.23.15 - renin.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Reaction:

Cleaves Leu-|- bond in angiotensinogen to generate angiotensin I.

	Bioorg Med Chem Lett 20:6286-6290 (2010)
PubMed id: 20843686

Design and optimization of new piperidines as renin inhibitors.
O.Corminboeuf, O.Bezençon, C.Grisostomi, L.Remeň, S.Richard-Bildstein, D.Bur, L.Prade, P.Hess, P.Strickner, W.Fischli, B.Steiner, A.Treiber.

ABSTRACT

No abstract given.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21429746

R.Aspiotis, A.Chen, E.Cauchon, D.Dubé, J.P.Falgueyret, S.Gagné, M.Gallant, E.L.Grimm, R.Houle, H.Juteau, P.Lacombe, S.Laliberté, J.F.Lévesque, D.MacDonald, D.McKay, M.D.Percival, P.Roy, S.M.Soisson, and T.Wu (2011).
The discovery and synthesis of potent zwitterionic inhibitors of renin.

Bioorg Med Chem Lett, 21, 2430-2436.

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.