8RTZ

The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA	Peptidoglycan D,D-transpeptidase FtsI	polymer	348	37129.4	1	UniProt (P0AD68) Pfam (PF00905) In PDB	Escherichia coli	Essential cell division protein FtsI,Murein transpeptidase,Penicillin-binding protein 3,PBP-3,Peptidoglycan synthase FtsI
2	A	Bicyclic peptide inhibitor	polymer	15	1496.8	1		synthetic construct
3	A	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one	non-polymer		255.3	1	Chemie (29N)
4		water	water		18.0	263	Chemie (HOH)

Sequence modifications

AAA: 234 - 279 (UniProt: P0AD68)

PDB	External Database	Details
Gly 227	-	expression tag
Pro 228	-	expression tag
Gly 229	-	expression tag
Tyr 230	-	expression tag
Gln 231	-	expression tag
Asp 232	-	expression tag
Pro 233	-	expression tag

AAA: 295 - 588 (UniProt: P0AD68)

PDB	External Database	Details
Gly 280	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38626.2
Non-Polymers*	Number of molecules	1
	Total formula weight	255.3
All*	Total formula weight	38881.5

*Water molecules are not included.