Structure of PDB 4jsh Chain B

Receptor sequence

>4jshB (length=420) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDV
RTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKD
TELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKY
ATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPAN
VQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRH
PKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDY
CDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTI
VDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNY
RLTPSFEYQPDPWNTHVWKG

3D structure

• PDB: 4jsh In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
• Chain: B
• Resolution: 2.35 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C117 R120 W289 E294
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	H4B	B	W676 F691 H692 Q693 E694	W378 F393 H394 Q395 E396
BS02	ZN	B	C326 C331	C28 C33
BS03	HEM	B	H341 W409 R414 C415 F584 W587 E592 W678 F704 Y706	H43 W111 R116 C117 F286 W289 E294 W380 F406 Y408
BS04	H4B	B	S334 R596 V677 W678	S36 R298 V379 W380
BS05	Q15	B	P565 V567 S585 W587 E592 Y706	P267 V269 S287 W289 E294 Y408	MOAD: Ki=117nM BindingDB: Ki=117nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4jsh, PDBe:4jsh, PDBj:4jsh
• PDBsum: 4jsh
• PubMed: 23867386
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)