Structure of PDB 9enn Chain A Binding Site BS02

Receptor Information
>9enn Chain A (length=536) Species: 76867 (Hebeloma cylindrosporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPGGERVGILGAGIGGLYSALILQSLDVPFEIIEASNRVGGRLFTHKFPN
GGKYDYYDVGAMRYPLPKSDDKGNYQPGVMQRVGQLFTYLGMHKQLIPYY
FKSNKSPGFQYFNGVRARIGEGSSFDAPALGINSSLIDIGVTKIVNDAVG
PFAQALFDDLQKHTTTGWDDMMKNDAYSTRSYFSFKYLPSPSFGLPSEHF
STRVINWLETFDKSTGWYDRGLTETVLEAIAFGEVEVDWRCIDGGSHVLP
DTIAAFLHKKGGNAFVMNASVTAIGLENPNKEDSPMVVVAGGQKRKYSHV
ISTLPLPVLRTVDLKNSKLDIVQSNALRKLQYGPSIKIGILFKEPWWTTG
QDKNGEKFDLVGGQSYTDLPIRTVVYPSYGVNTNAPSNTLIASYCWTNDA
ERMGSLIGTGAATYEEQLEHLVLSNLAAVHNTDYQYLKDRLVDVHSWDWN
HNPLTMGAFAFFGPGDFQDLYTSLNRPAANGKLHFAGEALSVRHAWVVGA
LDSAWRAVYNYLYVTDPAKLPKFFELWGKNAEWFEQ
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 A 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 F524 A558 W559
Binding residue
(residue number reindexed from 1)		R63 W217 E228 F232 Y394 W396 F461 A495 W496
Annotation score1
External links