Structure of PDB 5w15 Chain D Binding Site BS01

Receptor Information
>5w15 Chain D (length=270) Species: 398577 (Burkholderia ambifaria MC40-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMLDLANRFNFEGHRIAWGTLGEGPPLVLVHGTPFSSQVWRRIAPWLA
RRHRVFFYDLLGYGQSDMPDADVSLGRQNVLFGALLDEWKISRPRVLAHD
YGGATVLRAHFLDGIAYSDLTLVNPVAIAPQGSPFVRHVAQHEAAFTGLP
AYAHHALVSAYIGQAVAQPLSDDVLSIYRAPWLTPAGQAAFYRQIAQMRQ
RYIEDAEARYAPPDFPVRIVWGEDDRWIPLEQGQALADRIANGKLIRVPR
AGHLVQEDAPEAIVAAVLDR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5w15 Chain D Residue 301 [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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PDB5w15 Crystal structure of an alpha/beta hydrolase fold protein from Burkholderia ambifaria.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q231 R244
Binding residue
(residue number reindexed from 1)		Q234 R247
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T32 E85 W86 H96 D97 Y98 D116 V171 D221 D222 H250 L251
Catalytic site (residue number reindexed from 1) T35 E88 W89 H99 D100 Y101 D119 V174 D224 D225 H253 L254
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5w15, PDBe:5w15, PDBj:5w15
PDBsum5w15
PubMed
UniProtB1YPY7

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