1RGR

Cyclic Peptides Targeting PDZ Domains of PSD-95: Structural Basis for Enhanced Affinity and Enzymatic Stability

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Presynaptic density protein 95	polymer	99	10860.1	1	UniProt (P31016) Pfam (PF00595)	Rattus norvegicus (Norway rat)	PSD-95, Discs, large homolog 4, Postsynaptic density-95
2	B (B)	postsynaptic protein CRIPT peptide	polymer	6	768.9	1	GenBank (3098551)
3	C (B)	BETA-ALANINE	non-polymer		89.1	1	Chemie (BAL) PubChem (239)

Sequence modifications

A: 62 - 154 (UniProt: P31016)

PDB	External Database	Details
His 155	-	expression tag
His 156	-	expression tag
His 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag

B: 1 - 6 (GenBank: 3098551)

PDB	External Database	Details
Lys 3	Gln 98	engineered mutation
Glu 5	Ser 100	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	11629.0
Non-Polymers*	Number of molecules	1
	Total formula weight	89.1
All*	Total formula weight	11718.1

*Water molecules are not included.