Structure of PDB 7ts3 Chain A

Receptor sequence

>7ts3A (length=420) Species: 9606 (Homo sapiens)

PRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSQHARRPED
VATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLK
DTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVK
YATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPA
NVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRD
YCDNSRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVT
IVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLN
YRLTPSFEYQPDPWNTHVWK

3D structure

• PDB: 7ts3 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
• Chain: A
• Resolution: 2.099 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 M575 F589 W592 E597 W683 F709 Y711	W112 R117 C118 V119 M273 F287 W290 E295 W381 F407 Y409
BS02	H4B	A	S339 R601 V682 W683	S37 R299 V380 W381
BS03	K7U	A	P570 V572 F589 S590 W592 E597	P268 V270 F287 S288 W290 E295
BS04	ZN	A	C331 C336	C29 C34
BS05	H4B	A	F696 H697 Q698 E699	F394 H395 Q396 E397

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:7ts3, PDBe:7ts3, PDBj:7ts3
• PDBsum: 7ts3
• PubMed: 35772285
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)