4HOP

Crystal structure of the computationally designed NNOS-Syntrophin complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E (A, C, E)	Alpha-1-syntrophin	polymer	88	9389.8	3	UniProt (Q61234) Pfam (PF00595)	Mus musculus (mouse)	59 kDa dystrophin-associated protein A1 acidic component 1, Syntrophin-1
2	B, D, F (B, D, F)	Nitric oxide synthase, brain	polymer	123	13289.4	3	UniProt (P29476) Pfam (PF00595)	Rattus norvegicus (brown rat rat rats)	BNOS, Constitutive NOS, NC-NOS, NOS type I, Neuronal NOS, N-NOS, nNOS, Peptidyl-cysteine S-nitrosylase NOS1
3	G, H, I, J, K... (A, B, C, D, E...)	water	water		18.0	501	Chemie (HOH)

Sequence modifications

A, C, E: 77 - 162 (UniProt: Q61234)

PDB	External Database	Details
Gly 75	-	expression tag
Ser 76	-	expression tag
Phe 142	His 142	engineered mutation

B, D, F: 4 - 126 (UniProt: P29476)

PDB	External Database	Details
Met 109	Thr 109	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	68037.6
All*	Total formula weight	68037.6

*Water molecules are not included.