Structure of PDB 6ngh Chain A

Receptor sequence
>6nghA (length=416) Species: 9606 (Homo sapiens) [Search protein sequence]
CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSPEDVATK
DQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTEL
IYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATN
KGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQF
TEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKF
EWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDN
SRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDH
HSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLT
PSFEYQPDPWNTHVWK
3D structure
PDB6ngh Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
ChainA
Resolution2.0 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) C114 R117 W286 E291
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 HEM A W414 C420 V421 F589 W592 E597 W683 F709 Y711 W108 C114 V115 F283 W286 E291 W377 F403 Y405
BS02 H4B A S339 R601 V682 W683 S38 R295 V376 W377
BS03 KPJ A Q483 R486 P570 V572 F589 W592 Y593 E597 Q177 R180 P264 V266 F283 W286 Y287 E291 MOAD: Ki=21nM
BindingDB: Ki=21nM
BS04 ZN A C331 C336 C30 C35
BS05 H4B A F696 H697 Q698 E699 F390 H391 Q392 E393
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:6ngh, PDBe:6ngh, PDBj:6ngh
PDBsum6ngh
PubMed30802056
UniProtP29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)

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