Structure of PDB 9enn Chain C Binding Site BS02

Receptor Information
>9enn Chain C (length=532) Species: 76867 (Hebeloma cylindrosporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GERVGILGAGIGGLYSALILQSLDVPFEIIEASNRVGGRLFTHKFPNGGK
YDYYDVGAMRYPLPKSDDKGNYQPGVMQRVGQLFTYLGMHKQLIPYYFKS
NKSPGFQYFNGVRARIGEGSSFDAPALGINSSLIDIGVTKIVNDAVGPFA
QALFDDLQKHTTTGWDDMMKNDAYSTRSYFSFKYLPSPSFGLPSEHFSTR
VINWLETFDKSTGWYDRGLTETVLEAIAFGEVGDGEVDWRCIDGGSHVLP
DTIAAFLHKAFVMNASVTAIGLENPNKEDSPMVVVAGGQKRKYSHVISTL
PLPVLRTVDLKNSKLDIVQSNALRKLQYGPSIKIGILFKEPWWTTGQDKN
GEKFDLVGGQSYTDLPIRTVVYPSYGVNTNAPSNTLIASYCWTNDAERMG
SLIGTGAATYEEQLEHLVLSNLAAVHNTDYQYLKDRLVDVHSWDWNHNPL
TMGAFAFFGPGDFQDLYTSLNRPAANGKLHFAGEALSVRHAWVVGALDSA
WRAVYNYLYVTDPAKLPKFFELWGKNAEWFEQ
Ligand information
Ligand IDALY
InChIInChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyDTERQYGMUDWYAZ-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.341CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(NCCCCC(N)C(=O)O)C
FormulaC8 H16 N2 O3
NameN(6)-ACETYLLYSINE
ChEMBLCHEMBL1230958
DrugBank
ZINCZINC000001529433
PDB chain9enn Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9enn Crystal structure and enzyme engineering of the broad substrate spectrum L-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R123 W277 E288 F292 Y457 W459 F522 F524 A558 W559
Binding residue
(residue number reindexed from 1)		R60 W214 E225 F229 Y390 W392 F455 F457 A491 W492
Annotation score1
External links