Structure of PDB 5wsy Chain B Binding Site BS02

Receptor Information
>5wsy Chain B (length=165) Species: 227882 (Streptomyces avermitilis MA-4680 = NBRC 14893) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTAQHPTDEDLLARVLVPYKDHCKYLRSAVVTEGRAVARCEFAIPESCYI
DDTGHLNSVEVNICYNQMMYYLVAKSVKEGLLAGFESWTLDDFWKHQLPD
ILIARFASNFRRPVNPRAFSGEMEFQSVTRRAPAGPFLHAETAYRYWDAD
SGRCDGEAVLAFVNI
Ligand information
Ligand ID7UC
InChIInChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyVRGLRLBEHJTRMK-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(CC(=O)O)NCC(=O)O
CACTVS 3.385C[C@H](CC(O)=O)NCC(O)=O
CACTVS 3.385C[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6C[C@H](CC(=O)O)NCC(=O)O
FormulaC6 H11 N O4
Name(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain5wsy Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wsy Structural analysis of the dual-function thioesterase SAV606 unravels the mechanism of Michael addition of glycine to an alpha , beta-unsaturated thioester.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y53 I54 N61 S62
Binding residue
(residue number reindexed from 1)		Y49 I50 N57 S58
Annotation score1
Enzymatic activity
Enzyme Commision number 4.3.2.11: (3R)-3-[(carboxylmethyl)amino]fatty acid synthase.
External links