Ligand · NKY

NKY · 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide

NKY, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide (C18 H17 F N6 O3, 384.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its…

Component: NKY
Formula: C18 H17 F N6 O3
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

NKY in 3 structures; the first of them:

6P12 · Structure of spastin aaa domain (wild-type) in complex with diaminotriazole-based… · NKY B801 · binds ASP484, ILE485, ALA486, GLY487, GLN488, GLY526, ASN527, GLY528 and 11 more
6P13 · Structure of spastin aaa domain (T692A mutant) in complex with a diaminotriazole-based… · NKY B802 · binds ASP484, ILE485, ALA486, GLN488, GLY526, ASN527, GLY528, LEU531 and 9 more
6P14 · Structure of spastin aaa domain (T692A mutant) in complex with a diaminotriazole-based… · NKY A804 · binds ASP484, ILE485, ALA486, GLY487, GLN488, GLY526, ASN527, GLY528 and 9 more

Residues it binds most

GLY 3, LEU 3, SER 3, THR 3, ALA 3, ARG 3, ASN 3, ASP 3, GLN 3, ILE 3 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion
MPD · (4S)-2-methyl-2,4-pentanediol
ACT · Acetate ion

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