Ligand · K8O

K8O · 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine

K8O, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine (C14 H17 F2 N3, 265.3 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…

Component: K8O
Formula: C14 H17 F2 N3
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

K8O in 5 structures; the first of them:

7TS1 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K8O A803 · binds SER482, GLN483, ARG486, PRO570, VAL572, ASN574, PHE589, SER590 and 5 more
7TSF · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · K8O A803 · binds SER477, GLN478, ARG481, PRO565, VAL567, ASN569, PHE584, SER585 and 5 more
7TS1 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K8O A803 · binds SER482, GLN483, ARG486, PRO570, VAL572, ASN574, PHE589, SER590 and 4 more
7TSF · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · K8O A803 · binds SER477, GLN478, PRO565, VAL567, ASN569, PHE584, SER585, GLY586 and 3 more
7TSP · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K8O A503 · binds SER246, GLN247, PRO334, VAL336, ASN338, PHE353, SER354, GLY355 and 4 more

Residues it binds most

SER 16, TRP 16, GLN 16, GLU 16, GLY 16, PHE 16, PRO 16, TYR 16, VAL 16, ASN 14 (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
ACT · Acetate ion
GD · Gadolinium atom
CL · Chloride ion
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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