Structure of PDB 3wwc Chain A Binding Site BS02

Receptor Information
>3wwc Chain A (length=335) Species: 237605 (Pseudomonas sp. VM15C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKWECPAGYEVKEGLNVDFPHKGMKRAFIVYPAKNVSGPAPVWVPMTGSV
ESTNDNLTVARSGANSILADHGYTVIAPVRACANQDPNIRGERCNGPGSN
GWNWNPWFEGRAADPSGEHWKNDEGPDSSFFVAMVQCVGTKYKLDARRLF
LGGIASGGTMTNRALLFRSNFWAGGLPISGEWYVTSDDGTPLSFDDARAA
VAAAPTKIHQGRVGPYPLPAKVGPLIVMTVWGGEKDLWNCTRPDGSRFLC
ADYRPSTQAGSNFFSAQPDVVHVACSSTHGHMWPQLNTQEFNRWALDTLA
SHPKGSDPRSFKLTQPPEGYTCHVGPFTGLYASAW
Ligand information
Ligand IDBUA
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)O
CACTVS 3.385CCCC(O)=O
FormulaC4 H8 O2
Namebutanoic acid
ChEMBLCHEMBL14227
DrugBankDB03568
ZINCZINC000000895132
PDB chain3wwc Chain A 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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PDB3wwc Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Resolution1.49 Å
Binding residue
(original residue number in PDB)		N120 C257
Binding residue
(residue number reindexed from 1)		N103 C240
Annotation score5
Enzymatic activity
Enzyme Commision number 3.7.1.7: beta-diketone hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0047699 beta-diketone hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:3wwc, PDBe:3wwc, PDBj:3wwc
PDBsum3wwc
PubMed25173935
UniProtQ9LCQ7|OPH_PSESP Oxidized polyvinyl alcohol hydrolase (Gene Name=pvaB)

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