3N6G

Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nitric oxide synthase	polymer	444	49711.1	2	UniProt (P29476) Pfam (PF02898) In PDB	Bos taurus (cow)	Endothelial NOS, eNOS, EC-NOS, NOS type III, NOSIII, Constitutive NOS, cNOS
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine	non-polymer		347.5	2	Chemie (XFK)
6	A, B	CACODYLIC ACID	non-polymer		138.0	2	Chemie (CAD)
7	A, B	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	2	Chemie (H4B)
8	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
9		water	water		18.0	234	Chemie (HOH)

Sequence modifications

A, B: 39 - 482 (UniProt: P29476)

PDB	External Database	Details
Arg 100	Cys 100	SEE REMARK 999
Asp 368	Asn 368	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	99422.2
Non-Polymers*	Number of molecules	13
	Total formula weight	3054.1
All*	Total formula weight	102476.2

*Water molecules are not included.