Structure of PDB 6slf Chain D Binding Site BS04

Receptor Information
>6slf Chain D (length=395) Species: 43770 (Corynebacterium striatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLQKIVDSLESSRAEREELYKWFHQHPEMSMQEHETSKRIAEELEKLGLE
PQNIGVTGQVAVIKNGEGPSVAFRADFDALPITENTGLDYSADPELGMMH
ACGHDLHTTALLGAVRALVENKDLWSGTFIAVHQPGEEGGGGARHMVDDG
LAEKIAAPDVCFAQHVFNEDPAFGYVFTPGRFLTAASNWRIHIHGEGGHG
SRPHLTKDPIVVAASIITKLQTIVSREVDPNEVAVVTVGSIEGGKSTNSI
PYTVTLGVNTRASNDELSEYVQNAIKRIVIAECQAAGIEQEPEFEYLDSV
PAVINDEDLTEQLMAQFREFFGEDQAVEIPPLSGSEDYPFIPNAWGVPSV
MWGWSGFAAGSDAPGNHTDKFAPELPDALERGTQAILVAAAPWLM
Ligand information
Ligand IDLJ8
InChIInChI=1S/C18H28NO5P/c1-14(7-8-15-5-3-2-4-6-15)11-12-25(23,24)13-16(18(21)22)9-10-17(19)20/h2-6,14,16H,7-13H2,1H3,(H2,19,20)(H,21,22)(H,23,24)/t14-,16+/m0/s1
InChIKeyQVWDMOWNQBVUFQ-GOEBONIOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](CCc1ccccc1)CC[P](O)(=O)C[C@@H](CCC(N)=O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O
CACTVS 3.385C[CH](CCc1ccccc1)CC[P](O)(=O)C[CH](CCC(N)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(CCc1ccccc1)CCP(=O)(CC(CCC(=O)N)C(=O)O)O
FormulaC18 H28 N O5 P
Name(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6slf Chain D Residue 403 [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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PDB6slf The specific biochemistry of human axilla odour formation viewed in an evolutionary context.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C105 E140 E141 H168 R264 V303 G337 S338
Binding residue
(residue number reindexed from 1)		C102 E137 E138 H165 R261 V300 G334 S335
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.133: N(alpha)-acyl-L-glutamine aminoacylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:6slf, PDBe:6slf, PDBj:6slf
PDBsum6slf
PubMed32306870
UniProtQ8GGD4|AGAA_CORST N(alpha)-acyl-glutamine aminoacylase (Gene Name=agaA)

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