Structure of PDB 6p29 Chain A Binding Site BS01

Receptor Information
>6p29 Chain A (length=134) Species: 43657 (Pseudoalteromonas luteoviolacea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEFNNTIPELVCRDIDSSLSFYTQKLGFKVLFEREEQGFFFLYKNDIQLM
LQQLGETAWMSHSNDTPFGNGMNIAFKVESLDDLDCSTPSEDIFLETETI
EYRVLDGVASVNQVIFRDPDGYLIRFVEQVNQLE
Ligand information
Ligand IDNQ7
InChIInChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
InChIKeyJMQXZRUQJGJVSC-HQJQHLMTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N
CACTVS 3.385C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccccc23
ACDLabs 12.01c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
CACTVS 3.385C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.7CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)N
FormulaC13 H13 N3 O2
Name(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
ChEMBL
DrugBank
ZINC
PDB chain6p29 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p29 Convergent biosynthetic transformations to a bacterial specialized metabolite.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F3 R34 F39 M50
Binding residue
(residue number reindexed from 1)		F3 R34 F39 M50
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links