Structure of PDB 4kci Chain B

Receptor sequence
>4kciB (length=411) Species: 10116 (Rattus norvegicus) [Search protein sequence]
RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
3D structure
PDB4kci Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
ChainB
Resolution2.27 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C415 R418 W587 E592
Catalytic site (residue number reindexed from 1) C108 R111 W280 E285
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 E694 W369 F384 H385 E387
BS02 ZN B C326 C331 C28 C33
BS03 HEM B W409 R414 C415 V416 F584 W587 E592 W678 F704 Y706 W102 R107 C108 V109 F277 W280 E285 W371 F397 Y399
BS04 H4B B S334 R596 V677 W678 S36 R289 V370 W371
BS05 1QE B M336 P565 V567 F584 S585 G586 E592 M38 P258 V260 F277 S278 G279 E285 MOAD: Ki=0.739uM
BindingDB: Ki=739nM
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
Biological Process
GO:0006809 nitric oxide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4kci, PDBe:4kci, PDBj:4kci
PDBsum4kci
PubMed24447275
UniProtP29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)

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