Structure of PDB 8fgi Chain A

Receptor sequence

>8fgiA (length=416) Species: 9606 (Homo sapiens)

CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPRPEDVATK
DQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTEL
IYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATN
KGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQF
TEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKF
EWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDN
SRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDH
HSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLT
PSFEYQPDPWNTHVWK

3D structure

• PDB: 8fgi Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
• Chain: A
• Resolution: 2.15 Å

Enzymatic activity

• 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 R419 C420 V421 F589 W592 E597 W683 F709 Y711	W108 R113 C114 V115 F283 W286 E291 W377 F403 Y405
BS02	H4B	A	S339 R601 V682 W683	S38 R295 V376 W377
BS03	V80	A	Q483 P570 V572 S590 W592 Y593 E597 R601	Q177 P264 V266 S284 W286 Y287 E291 R295
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

External links

• PDB: RCSB:8fgi, PDBe:8fgi, PDBj:8fgi
• PDBsum: 8fgi
• PubMed: 37433128
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)