Structure of PDB 4v3u Chain D

Receptor sequence
>4v3uD (length=411) Species: 9606 (Homo sapiens) [Search protein sequence]
CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPVATKDQLF
PLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGA
KHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNL
RSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEIC
IQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFK
DLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYN
ILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFE
YQPDPWNTHVW
3D structure
PDB4v3u Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
ChainD
Resolution2.3 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C420 R423 W592 E597
Catalytic site (residue number reindexed from 1) C110 R113 W282 E287
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 D W681 F696 E699 W371 F386 E389
BS02 ZN D C331 C336 C30 C35
BS03 HEM D W414 A417 C420 V421 G422 F589 G591 W592 E597 W683 F709 Y711 W104 A107 C110 V111 G112 F279 G281 W282 E287 W373 F399 Y401
BS04 H4B D S339 R601 V682 W683 S38 R291 V372 W373
BS05 EG8 D M341 H342 Q483 P570 V572 M40 H41 Q173 P260 V262 MOAD: Ki=0.125uM
BindingDB: Ki=125nM
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
GO:0020037 heme binding
Biological Process
GO:0006809 nitric oxide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4v3u, PDBe:4v3u, PDBj:4v3u
PDBsum4v3u
PubMed25489882
UniProtP29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)

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