3O9L

Design and optimisation of new piperidines as renin inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Renin	polymer	166	18225.5	2	UniProt (P00797) Pfam (PF00026) In PDB	Homo sapiens (human)	Angiotensinogenase
2	B, D	Renin	polymer	176	19430.1	2	UniProt (P00797) Pfam (PF00026) In PDB	Homo sapiens (human)	Angiotensinogenase
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	A, C	(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide	non-polymer		660.1	2	Chemie (LPN)
5		water	water		18.0	48	Chemie (HOH)

Sequence modifications

B, D: 171 - 340 (UniProt: P00797)

PDB	External Database	Details
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	75311.0
Non-Polymers*	Number of molecules	3
	Total formula weight	1541.3
All*	Total formula weight	76852.4

*Water molecules are not included.