Ligand · M5L

M5L · 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine

M5L, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine (C14 H21 F2 N3, 269.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component: M5L
Formula: C14 H21 F2 N3
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

M5L in 5 structures; the first of them:

7UAN · Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with… · M5L A803 · binds PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586, TRP587 and 5 more
7UAO · Structure of human endothelial nitric oxide synthase heme domain in complex with… · M5L A503 · binds SER246, GLN247, PRO334, VAL336, ASN338, PHE353, SER354, GLY355 and 5 more
7UAM · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · M5L A803 · binds PRO570, VAL572, ASN574, MET575, PHE589, GLY591, TRP592, TYR593 and 2 more
7UAN · Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with… · M5L A803 · binds PRO565, VAL567, ASN569, PHE584, GLY586, TRP587, TYR588, GLU592 and 1 more
7UAO · Structure of human endothelial nitric oxide synthase heme domain in complex with… · M5L A503 · binds PRO334, VAL336, ASN338, PHE353, TRP356, TYR357, MET358, GLU361

Residues it binds most

TYR 14, PHE 14, TRP 14, ASN 14, GLU 14, MET 10, PRO 14, VAL 14, GLY 13, SER 7 (residue and the binding sites it lines).

Found with

H4B · 5,6,7,8-tetrahydrobiopterin
HEM · Protoporphyrin IX containing Fe
ZN · Zinc ion
GOL · Glycerol
GD · Gadolinium atom
CL · Chloride ion
ACT · Acetate ion
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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