4CU1

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-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 (A)	NITRIC OXIDE SYNTHASE, ENDOTHELIAL	polymer	443	49727.0	1	UniProt (P29473) Pfam (PF02898)	BOS TAURUS (CATTLE)	CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE
2	B (B)	NITRIC OXIDE SYNTHASE, ENDOTHELIAL	polymer	443	49623.0	1	UniProt (P29473) Pfam (PF02898)	BOS TAURUS (CATTLE)	CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE
3	C, H (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	D, I (A, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	2	Chemie (H4B)
5	E, J (A, B)	6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine	non-polymer		376.5	2	Chemie (71S)
6	F, K (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
7	G, L (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	M (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
9	N, O (A, B)	water	water		18.0	295	Chemie (HOH)

Sequence modifications

A: 40 - 482 (UniProt: P29473)

PDB	External Database	Details
Arg 100	Cys 100	variant

B: 40 - 482 (UniProt: P29473)

PDB	External Database	Details
Arg 100	Cys 100	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	99350.0
Non-Polymers*	Number of molecules	11
	Total formula weight	2836.1
All*	Total formula weight	102186.2

*Water molecules are not included.