Structure of PDB 5wsy Chain A Binding Site BS02
Receptor Information
>5wsy Chain A (length=161) Species:
227882
(Streptomyces avermitilis MA-4680 = NBRC 14893) [
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MTTAQHPTDEDLLARVLVPYKDHCKYLRSAVVTESAVARCEFAIPESCYI
DDTGHLNSVEVNICYNQMMYYLVAKSVKEGLLAGFESWTLDDFWKHQLPD
ILIARFASNFRRPVNPRAFSGEMEFQSVTRRAFLHAETAYRYWDADSGRC
DGEAVLAFVNI
Ligand information
Ligand ID
7UC
InChI
InChI=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
InChIKey
VRGLRLBEHJTRMK-SCSAIBSYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
CC(CC(=O)O)NCC(=O)O
CACTVS 3.385
C[C@H](CC(O)=O)NCC(O)=O
CACTVS 3.385
C[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6
C[C@H](CC(=O)O)NCC(=O)O
Formula
C6 H11 N O4
Name
(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain
5wsy Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
5wsy
Structural analysis of the dual-function thioesterase SAV606 unravels the mechanism of Michael addition of glycine to an alpha , beta-unsaturated thioester.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
Y20 N70 Y74
Binding residue
(residue number reindexed from 1)
Y20 N66 Y70
Annotation score
1
Enzymatic activity
Enzyme Commision number
4.3.2.11
: (3R)-3-[(carboxylmethyl)amino]fatty acid synthase.
External links
PDB
RCSB:5wsy
,
PDBe:5wsy
,
PDBj:5wsy
PDBsum
5wsy
PubMed
28522606
UniProt
Q79ZR9
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