Ligand · KL4

KL4 · 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine

KL4, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine (C20 H26 F N3, 327.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within…

Component: KL4
Formula: C20 H26 F N3
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

KL4 in 3 structures; the first of them:

6NG6 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KL4 A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 5 more
6NGN · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KL4 A803 · binds PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587, TYR588 and 3 more
6NH3 · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KL4 A502 · binds VAL104, PHE105, PRO334, PHE353, GLY355, TRP356, TYR357, MET358 and 4 more

Residues it binds most

TRP 12, PHE 12, VAL 12, TYR 8, ARG 10, GLU 11, SER 10, GLY 8, MET 7, PRO 8 (residue and the binding sites it lines).

Found with

HEM · Protoporphyrin IX containing Fe
ZN · Zinc ion
H4B · 5,6,7,8-tetrahydrobiopterin
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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