Structure of PDB 8fgm Chain B

Receptor sequence

>8fgmB (length=419) Species: 9606 (Homo sapiens)

RFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSQHARRPEDV
ATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKD
TELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKY
ATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPAN
VQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRH
PKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDY
CDNSRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTI
VDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNY
RLTPSFEYQPDPWNTHVWK

3D structure

• PDB: 8fgm Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
• Chain: B
• Resolution: 2.1 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	H4B	B	F696 H697 Q698 E699	F393 H394 Q395 E396
BS02	H4B	B	S339 M341 R601 V682 W683	S36 M38 R298 V379 W380
BS03	ZN	B	C331 C336	C28 C33
BS04	HEM	B	W414 C420 M575 F589 W592 E597 W683 F709 Y711	W111 C117 M272 F286 W289 E294 W380 F406 Y408
BS05	XVA	B	Q483 V572 F589 S590 G591 W592 E597	Q180 V269 F286 S287 G288 W289 E294

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

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